#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 -0.46 3.58 0.62 0.00 -1.26 -4.38 105.19 103.28 1pkt n GLY 5 Ca 0.00 0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 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 2.44 -0.31 1.61 1.51 0.32 -4.42 117.35 118.50 1pkt s TYR 6 Ca 0.00 0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 56.37 1pkt s TYR 6 Cb 0.00 -4.47 0.00 0.00 -0.11 0.00 0.00 41.96 37.38 1pkt s TYR 6 CO 0.00 -1.80 0.13 -0.65 -1.11 0.00 0.00 175.55 172.12 1pkt s GLN 7 N 5.26 3.16 0.52 -0.62 -0.21 -0.75 -1.05 119.66 125.97 1pkt s GLN 7 Ca 0.46 -0.83 0.08 0.00 0.02 0.00 0.00 55.36 55.09 1pkt s GLN 7 Cb -0.09 -3.51 0.04 0.00 1.00 0.00 0.00 33.01 30.45 1pkt s GLN 7 CO 0.24 -0.47 0.56 0.71 -2.12 0.00 0.00 175.29 174.21 1pkt s TYR 8 N 1.56 1.89 0.11 0.91 2.02 -0.78 -2.06 117.35 121.00 1pkt s TYR 8 Ca 0.03 -0.68 0.08 0.00 -0.37 0.00 0.00 57.07 56.13 1pkt s TYR 8 Cb -0.17 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.22 1pkt s TYR 8 CO 0.05 -0.65 -0.12 0.50 -1.57 0.00 0.00 175.55 173.76 1pkt s ARG 9 N -4.40 2.05 -0.35 -0.62 3.52 -1.00 -1.75 118.95 116.39 1pkt s ARG 9 Ca 0.49 -1.08 -0.29 0.00 -0.13 0.00 0.00 55.73 54.73 1pkt s ARG 9 Cb -0.04 -2.25 -0.00 0.00 -1.56 0.00 0.00 34.95 31.09 1pkt s ARG 9 CO 0.30 0.50 1.45 0.00 -0.81 0.00 0.00 175.30 176.74 1pkt s ALA 10 N -1.24 3.13 -0.04 6.12 0.00 -0.68 -0.90 121.76 128.15 1pkt s ALA 10 Ca 0.21 0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.29 1pkt s ALA 10 Cb -0.11 -3.90 -0.24 0.00 0.00 0.00 0.00 23.12 18.88 1pkt s ALA 10 CO 0.13 -2.21 0.68 -0.07 0.00 0.00 0.00 175.76 174.29 1pkt h LEU 11 N 11.97 0.08 0.00 0.00 3.38 -1.36 -2.72 115.31 126.66 1pkt h LEU 11 Ca -0.29 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1pkt h LEU 11 Cb 1.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1pkt h LEU 11 CO 1.06 1.15 0.00 -1.22 0.09 0.00 0.00 178.44 179.51 1pkt n TYR 12 N -3.15 0.00 -4.58 1.13 4.02 -1.07 -4.62 117.16 108.88 1pkt n TYR 12 Ca -0.18 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.45 1pkt n TYR 12 Cb 1.04 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.26 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 0.36 3.33 -0.30 7.72 -4.77 -1.26 -1.42 116.67 120.33 1pkt s ASP 13 Ca 0.00 -1.47 -0.11 0.00 -3.30 0.00 0.00 52.55 47.67 1pkt s ASP 13 Cb 0.00 0.00 0.15 0.00 -1.09 0.00 0.00 42.92 41.98 1pkt s ASP 13 CO 0.00 -0.64 0.80 -0.47 0.70 0.00 0.00 175.17 175.55 1pkt s TYR 14 N -2.99 -1.07 0.15 2.11 5.04 -0.36 -4.84 117.35 115.39 1pkt s TYR 14 Ca 0.28 1.73 -0.30 0.00 -2.44 0.00 0.00 57.07 56.34 1pkt s TYR 14 Cb 0.07 0.59 -0.07 0.00 0.35 0.00 0.00 41.96 42.91 1pkt s TYR 14 CO 0.14 -0.54 0.95 0.21 -1.34 0.00 0.00 175.55 174.96 1pkt s LYS 15 N 2.73 4.75 -0.95 4.97 2.20 -1.26 -1.40 119.74 130.77 1pkt s LYS 15 Ca -0.01 1.46 -0.20 0.00 -0.36 0.00 0.00 55.97 56.85 1pkt s LYS 15 Cb -0.10 -3.34 -0.26 0.00 -1.51 0.00 0.00 37.83 32.62 1pkt s LYS 15 CO -0.18 0.32 2.40 1.17 -0.36 0.00 0.00 175.35 178.69 1pkt n LYS 16 N 2.36 0.11 -0.04 4.03 4.81 -1.26 -4.70 118.16 123.48 1pkt n LYS 16 Ca 0.01 -0.07 -0.04 0.00 -0.87 0.00 0.00 58.31 57.34 1pkt n LYS 16 Cb 0.48 -1.57 -0.01 0.00 0.02 0.00 0.00 35.03 33.95 1pkt n LYS 16 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1pkt n GLU 17 N 7.13 0.25 -2.87 1.64 4.07 -1.26 -4.94 120.64 124.65 1pkt n GLU 17 Ca 0.64 0.23 -0.36 0.00 -0.06 0.00 0.00 57.16 57.61 1pkt n GLU 17 Cb 0.15 -1.08 -0.06 0.00 -0.06 0.00 0.00 31.44 30.38 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 -1.81 4.41 0.24 5.31 1.81 -1.26 -4.90 118.95 122.75 1pkt s ARG 18 Ca -0.11 1.16 0.15 0.00 -1.72 0.00 0.00 55.73 55.20 1pkt s ARG 18 Cb 0.02 -2.68 0.83 0.00 -0.45 0.00 0.00 34.95 32.67 1pkt s ARG 18 CO 0.17 0.24 1.45 -0.85 -0.68 0.00 0.00 175.30 175.63 1pkt n GLU 19 N 0.31 0.10 -1.19 3.54 0.28 -1.26 -1.19 120.64 121.23 1pkt n GLU 19 Ca 0.02 0.59 -0.16 0.00 -0.16 0.00 0.00 57.16 57.45 1pkt n GLU 19 Cb 0.51 -1.87 0.14 0.00 1.43 0.00 0.00 31.44 31.66 1pkt n GLU 19 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1pkt n GLU 20 N -2.04 2.37 -4.62 3.44 0.00 -1.26 -5.00 120.64 113.54 1pkt n GLU 20 Ca -0.01 -3.38 -0.29 0.00 0.00 0.00 0.00 57.16 53.48 1pkt n GLU 20 Cb 0.06 -2.03 -0.08 0.00 0.00 0.00 0.00 31.44 29.39 1pkt n GLU 20 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1pkt s ASP 21 N -2.48 3.37 0.08 -1.84 -4.77 -0.34 -2.10 116.67 108.60 1pkt s ASP 21 Ca 0.51 -1.65 0.02 0.00 -3.30 0.00 0.00 52.55 48.13 1pkt s ASP 21 Cb 0.44 0.46 -0.04 0.00 -1.09 0.00 0.00 42.92 42.69 1pkt s ASP 21 CO 0.02 -0.87 -0.07 0.27 0.70 0.00 0.00 175.17 175.22 1pkt s ILE 22 N -3.06 0.63 -0.26 2.11 -4.36 -0.45 -4.54 121.20 111.28 1pkt s ILE 22 Ca 0.17 -1.73 -0.29 0.00 -0.26 0.00 0.00 60.65 58.55 1pkt s ILE 22 Cb 0.03 -1.42 -0.02 0.00 1.25 0.00 0.00 42.46 42.30 1pkt s ILE 22 CO 0.10 -0.76 1.61 -1.81 0.24 0.00 0.00 174.94 174.31 1pkt s ASP 23 N -2.69 6.32 0.14 4.36 1.11 -1.26 -4.52 116.67 120.13 1pkt s ASP 23 Ca 0.06 1.49 0.03 0.00 0.18 0.00 0.00 52.55 54.31 1pkt s ASP 23 Cb 0.02 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 1pkt s ASP 23 CO -0.04 -1.33 0.24 -0.76 1.18 0.00 0.00 175.17 174.46 1pkt s LEU 24 N 5.41 4.22 -0.28 1.23 2.01 -0.50 -4.89 118.68 125.89 1pkt s LEU 24 Ca 0.71 0.12 -0.19 0.00 0.01 0.00 0.00 54.13 54.78 1pkt s LEU 24 Cb -0.23 -2.80 0.08 0.00 0.01 0.00 0.00 46.19 43.24 1pkt s LEU 24 CO 0.30 0.08 0.70 -1.00 1.01 0.00 0.00 176.35 177.43 1pkt s HIS 25 N -1.70 -0.98 0.35 0.29 3.76 -1.20 -1.23 115.29 114.59 1pkt s HIS 25 Ca 0.34 2.07 -0.27 0.00 -0.15 0.00 0.00 55.06 57.05 1pkt s HIS 25 Cb -0.11 0.52 -0.12 0.00 1.11 0.00 0.00 32.58 33.98 1pkt s HIS 25 CO 0.27 -0.48 1.06 -0.11 -0.85 0.00 0.00 174.74 174.63 1pkt n LEU 26 N 3.80 2.38 0.00 0.89 0.00 -0.51 -1.51 117.00 122.05 1pkt n LEU 26 Ca -0.18 1.13 0.00 0.00 0.00 0.00 0.00 56.01 56.96 1pkt n LEU 26 Cb 0.58 -1.35 0.00 0.00 0.00 0.00 0.00 43.42 42.65 1pkt n LEU 26 CO -0.00 -1.28 0.00 0.61 0.00 0.00 0.00 177.39 176.72 1pkt n GLY 27 N 1.13 2.69 3.94 -3.96 0.00 -1.03 -4.98 105.19 102.98 1pkt n GLY 27 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.31 4.02 -0.03 1.61 1.11 -0.57 -4.86 116.67 116.64 1pkt s ASP 28 Ca 0.00 0.28 0.05 0.00 0.18 0.00 0.00 52.55 53.06 1pkt s ASP 28 Cb 0.00 -0.62 -0.01 0.00 1.07 0.00 0.00 42.92 43.36 1pkt s ASP 28 CO 0.00 -2.13 -0.18 -0.63 1.18 0.00 0.00 175.17 173.40 1pkt s ILE 29 N -3.53 1.49 -0.24 0.77 1.09 -1.26 -1.68 121.20 117.84 1pkt s ILE 29 Ca 0.67 -0.77 -0.06 0.00 -1.10 0.00 0.00 60.65 59.39 1pkt s ILE 29 Cb -0.07 -1.26 -0.01 0.00 -1.06 0.00 0.00 42.46 40.05 1pkt s ILE 29 CO 0.48 0.42 0.01 -0.76 -0.10 0.00 0.00 174.94 175.00 1pkt s LEU 30 N -0.16 3.21 -0.56 2.97 1.02 -0.72 -3.16 118.68 121.28 1pkt s LEU 30 Ca 0.01 -0.35 -0.17 0.00 0.02 0.00 0.00 54.13 53.63 1pkt s LEU 30 Cb -0.10 -1.83 0.12 0.00 0.02 0.00 0.00 46.19 44.40 1pkt s LEU 30 CO 0.01 -0.04 0.58 -0.89 0.02 0.00 0.00 176.35 176.03 1pkt s THR 31 N 1.53 5.05 -0.29 5.49 2.01 -0.78 -1.86 115.64 126.79 1pkt s THR 31 Ca 0.06 -1.27 -0.00 0.00 0.31 0.00 0.00 61.69 60.78 1pkt s THR 31 Cb -0.15 -4.40 0.05 0.00 0.01 0.00 0.00 72.50 68.02 1pkt s THR 31 CO 0.00 -0.97 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.24 1pkt s VAL 32 N 2.06 2.72 1.01 3.82 1.01 -0.22 -1.46 120.40 129.34 1pkt s VAL 32 Ca 0.07 -1.49 -0.21 0.00 0.00 0.00 0.00 61.98 60.35 1pkt s VAL 32 Cb -0.27 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1pkt s VAL 32 CO 0.04 -0.10 -0.63 0.59 0.00 0.00 0.00 175.10 175.00 1pkt n ASN 33 N 4.56 -2.69 0.00 3.32 4.13 -1.26 0.12 115.26 123.43 1pkt n ASN 33 Ca -0.13 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.03 1pkt n ASN 33 Cb 0.43 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 1pkt n ASN 33 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1pkt n LYS 34 N 0.25 0.00 -0.26 3.52 0.00 -1.26 -3.39 118.16 117.01 1pkt n LYS 34 Ca 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 58.31 58.73 1pkt n LYS 34 Cb 0.60 -1.17 0.06 0.00 0.00 0.00 0.00 35.03 34.52 1pkt n LYS 34 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1pkt h GLY 35 N 0.00 1.01 -0.33 3.14 0.00 -1.96 -1.32 103.07 103.61 1pkt h GLY 35 Ca 0.00 -0.37 0.23 0.00 0.00 0.00 0.00 47.33 47.19 1pkt h GLY 35 CO 0.00 0.36 0.95 1.76 0.00 0.00 0.00 176.54 179.61 1pkt h SER 36 N 0.97 0.00 0.11 0.19 0.02 -1.92 0.54 113.55 113.46 1pkt h SER 36 Ca 0.26 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.86 1pkt h SER 36 Cb -0.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1pkt h SER 36 CO -0.06 0.00 -1.93 -0.11 -1.14 0.00 0.00 176.83 173.59 1pkt n LEU 37 N -3.37 2.57 0.00 5.07 0.00 -0.51 -3.85 117.00 116.91 1pkt n LEU 37 Ca 0.17 0.23 0.12 0.00 0.00 0.00 0.00 56.01 56.53 1pkt n LEU 37 Cb 1.20 -1.11 0.70 0.00 0.00 0.00 0.00 43.42 44.21 1pkt n LEU 37 CO 0.24 0.80 0.88 0.52 0.00 0.00 0.00 177.39 179.83 1pkt n VAL 38 N -3.57 0.00 0.13 1.96 0.31 0.17 -3.29 118.33 114.03 1pkt n VAL 38 Ca -0.32 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.07 1pkt n VAL 38 Cb 1.01 -0.63 0.31 0.00 -0.91 0.00 0.00 33.84 33.62 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 -1.00 1.10 0.08 3.52 0.00 0.20 -0.98 120.51 123.43 1pkt n ALA 39 Ca 0.18 0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.75 1pkt n ALA 39 Cb 0.08 -1.18 0.23 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.87 3.40 -0.45 0.00 4.77 -1.21 -4.85 117.00 116.79 1pkt n LEU 40 Ca -0.00 -1.72 -0.06 0.00 -0.03 0.00 0.00 56.01 54.20 1pkt n LEU 40 Cb 0.04 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 1pkt n LEU 40 CO 0.06 0.50 -0.06 0.61 -1.33 0.00 0.00 177.39 177.17 1pkt n GLY 41 N 0.58 0.82 0.00 -0.72 0.00 -0.15 -5.00 105.19 100.71 1pkt n GLY 41 Ca 0.16 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.76 -1.42 -4.37 1.61 3.72 -1.22 -5.01 117.46 108.01 1pkt n PHE 42 Ca -0.06 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.06 1pkt n PHE 42 Cb 0.23 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.64 1pkt n PHE 42 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1pkt s SER 43 N -1.77 3.15 -0.88 4.37 0.01 -1.26 -5.01 113.70 112.32 1pkt s SER 43 Ca 0.00 -0.74 -0.19 0.00 1.31 0.00 0.00 55.95 56.34 1pkt s SER 43 Cb 0.00 -0.20 -0.23 0.00 0.21 0.00 0.00 66.02 65.80 1pkt s SER 43 CO 0.00 0.15 2.31 -0.67 0.41 0.00 0.00 173.24 175.44 1pkt n ASP 44 N 0.95 0.37 0.00 2.44 -0.08 -1.26 -0.66 116.55 118.32 1pkt n ASP 44 Ca -0.18 -1.03 0.00 0.00 -1.51 0.00 0.00 54.79 52.07 1pkt n ASP 44 Cb 0.53 -1.16 0.00 0.00 2.34 0.00 0.00 41.12 42.83 1pkt n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pkt n GLY 45 N 6.22 4.11 0.20 0.27 0.00 -1.26 -4.92 105.19 109.82 1pkt n GLY 45 Ca 0.56 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -0.71 1.61 7.50 -1.28 -2.10 115.11 120.13 1pkt h GLN 46 Ca 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 1pkt h GLN 46 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.50 1pkt h GLN 46 CO 0.00 0.00 0.33 1.05 -1.50 0.00 0.00 178.83 178.71 1pkt h GLU 47 N 0.00 1.01 -0.92 1.46 4.11 -1.91 -1.53 114.58 116.80 1pkt h GLU 47 Ca 0.00 -0.14 -0.19 0.00 0.07 0.00 0.00 59.36 59.10 1pkt h GLU 47 Cb 0.09 -0.18 -0.11 0.00 0.50 0.00 0.00 28.75 29.04 1pkt h GLU 47 CO 0.00 0.79 0.24 0.00 0.07 0.00 0.00 179.01 180.11 1pkt n ALA 48 N -2.44 3.91 -3.18 1.06 0.00 -0.79 -4.38 120.51 114.69 1pkt n ALA 48 Ca 0.07 -1.43 -0.24 0.00 0.00 0.00 0.00 53.44 51.83 1pkt n ALA 48 Cb 0.14 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 1pkt n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pkt n ARG 49 N -0.16 2.01 -0.31 0.00 1.74 -0.58 -4.67 116.66 114.70 1pkt n ARG 49 Ca 0.27 -4.14 0.05 0.00 -0.77 0.00 0.00 57.85 53.26 1pkt n ARG 49 Cb 1.03 -1.91 0.24 0.00 -1.02 0.00 0.00 32.46 30.80 1pkt n ARG 49 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1pkt h PRO 50 N 3.53 0.99 0.00 5.56 0.11 -1.78 0.80 132.00 141.21 1pkt h PRO 50 Ca 0.13 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 1pkt h PRO 50 Cb 0.73 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1pkt h PRO 50 CO 0.68 0.65 -0.16 1.05 -0.21 0.00 0.00 178.00 180.01 1pkt h GLU 51 N 1.02 0.00 -0.02 1.05 9.09 -1.87 -1.91 114.58 121.94 1pkt h GLU 51 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.81 1pkt h GLU 51 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 1pkt h GLU 51 CO -0.16 0.16 -0.21 0.39 0.05 0.00 0.00 179.01 179.24 1pkt n GLU 52 N -3.92 1.57 0.00 1.06 1.02 0.04 -4.62 120.64 115.79 1pkt n GLU 52 Ca -0.02 -1.14 0.00 0.00 -0.02 0.00 0.00 57.16 55.98 1pkt n GLU 52 Cb 0.25 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1pkt n GLU 52 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1pkt n ILE 53 N 0.35 0.00 0.00 -3.67 5.41 0.26 -5.06 119.36 116.65 1pkt n ILE 53 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1pkt n ILE 53 Cb 0.40 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.24 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 2.74 1.34 3.16 7.39 0.00 -1.20 -5.04 105.19 113.58 1pkt n GLY 54 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.40 0.18 1.61 0.52 -1.26 -2.47 118.94 117.13 1pkt s TRP 55 Ca 0.00 0.92 0.03 0.00 0.02 0.00 0.00 56.10 57.06 1pkt s TRP 55 Cb 0.00 0.13 -0.05 0.00 -1.15 0.00 0.00 33.47 32.40 1pkt s TRP 55 CO 0.00 -0.23 -0.01 -0.51 0.02 0.00 0.00 176.95 176.22 1pkt s LEU 56 N 0.83 2.20 -0.24 2.99 1.02 -0.69 -4.88 118.68 119.90 1pkt s LEU 56 Ca -0.05 -1.16 -0.01 0.00 0.02 0.00 0.00 54.13 52.92 1pkt s LEU 56 Cb -0.06 -0.14 0.03 0.00 0.02 0.00 0.00 46.19 46.03 1pkt s LEU 56 CO -0.06 -0.52 -0.08 0.21 0.02 0.00 0.00 176.35 175.93 1pkt s ASN 57 N -3.20 4.21 0.00 2.29 3.84 -1.26 -0.99 114.94 119.83 1pkt s ASN 57 Ca 0.24 -0.85 0.00 0.00 0.21 0.00 0.00 52.86 52.45 1pkt s ASN 57 Cb 0.05 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 39.11 1pkt s ASN 57 CO 0.04 -0.11 0.00 0.61 -2.79 0.00 0.00 177.10 174.85 1pkt n GLY 58 N 4.66 4.29 2.99 1.21 0.00 -0.76 -4.63 105.19 112.95 1pkt n GLY 58 Ca -0.17 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.52 3.04 -1.07 1.61 5.04 -0.54 -2.56 117.35 121.36 1pkt s TYR 59 Ca 0.00 -2.33 -0.22 0.00 -2.44 0.00 0.00 57.07 52.08 1pkt s TYR 59 Cb 0.00 -2.13 0.05 0.00 0.35 0.00 0.00 41.96 40.24 1pkt s TYR 59 CO 0.00 -0.87 1.50 -0.80 -1.34 0.00 0.00 175.55 174.04 1pkt s ASN 60 N 1.17 6.54 0.36 4.32 0.01 -0.77 -1.86 114.94 124.70 1pkt s ASN 60 Ca -0.00 -1.62 0.07 0.00 -0.71 0.00 0.00 52.86 50.61 1pkt s ASN 60 Cb -0.19 -2.57 0.77 0.00 0.41 0.00 0.00 41.25 39.67 1pkt s ASN 60 CO -0.08 -1.46 1.91 -0.33 -1.51 0.00 0.00 177.10 175.63 1pkt h GLU 61 N 9.43 0.71 -0.94 -0.60 5.08 -1.85 1.26 114.58 127.67 1pkt h GLU 61 Ca 0.24 -0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.74 1pkt h GLU 61 Cb 0.99 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.99 1pkt h GLU 61 CO 1.43 0.47 0.60 1.15 -1.00 0.00 0.00 179.01 181.67 1pkt h THR 62 N 0.73 0.73 -0.12 1.13 2.02 -1.87 -1.23 112.91 114.31 1pkt h THR 62 Ca 0.38 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1pkt h THR 62 Cb 0.49 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1pkt h THR 62 CO -0.15 0.11 0.00 0.35 0.37 0.00 0.00 175.52 176.20 1pkt n THR 63 N -4.60 1.00 -4.11 3.16 -2.24 -0.11 -4.99 114.28 102.39 1pkt n THR 63 Ca 0.20 -1.00 -0.32 0.00 -2.27 0.00 0.00 64.05 60.66 1pkt n THR 63 Cb 0.60 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.15 -0.36 2.85 3.38 0.00 0.42 -4.93 105.19 106.39 1pkt n GLY 64 Ca 0.04 0.22 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 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 -7.02 1.15 -0.16 1.61 8.01 -0.98 -4.97 118.70 116.35 1pkt s GLU 65 Ca 0.13 -0.12 -0.07 0.00 0.01 0.00 0.00 54.97 54.92 1pkt s GLU 65 Cb -0.07 -1.37 -0.04 0.00 -4.31 0.00 0.00 34.13 28.35 1pkt s GLU 65 CO 0.95 -0.29 0.10 0.50 0.01 0.00 0.00 175.26 176.53 1pkt s ARG 66 N 1.81 3.75 0.00 1.61 3.52 -1.26 -1.85 118.95 126.54 1pkt s ARG 66 Ca 0.05 -0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 1pkt s ARG 66 Cb -0.13 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1pkt s ARG 66 CO -0.07 0.50 0.00 0.41 -0.81 0.00 0.00 175.30 175.33 1pkt n GLY 67 N 2.84 -0.93 3.97 8.12 0.00 -1.06 -4.88 105.19 113.25 1pkt n GLY 67 Ca -0.18 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.68 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 4.67 -0.25 1.61 2.15 -0.89 -1.82 116.67 118.14 1pkt s ASP 68 Ca 0.00 -0.05 -0.37 0.00 0.43 0.00 0.00 52.55 52.56 1pkt s ASP 68 Cb 0.00 -0.53 0.15 0.00 -0.30 0.00 0.00 42.92 42.24 1pkt s ASP 68 CO 0.00 -1.63 1.30 0.72 -0.17 0.00 0.00 175.17 175.40 1pkt s PHE 69 N -3.08 -0.07 0.12 -5.34 -0.71 -0.16 -1.34 117.98 107.40 1pkt s PHE 69 Ca 0.63 0.04 -0.31 0.00 -1.04 0.00 0.00 56.93 56.25 1pkt s PHE 69 Cb -0.08 0.51 -0.10 0.00 -1.21 0.00 0.00 43.02 42.14 1pkt s PHE 69 CO 0.43 -0.10 1.77 -1.25 -1.34 0.00 0.00 175.22 174.72 1pkt s PRO 70 N -2.16 4.15 0.14 1.99 0.04 -1.26 -1.70 135.00 136.20 1pkt s PRO 70 Ca 0.11 2.53 -0.11 0.00 0.04 0.00 0.00 61.00 63.56 1pkt s PRO 70 Cb -0.01 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1pkt s PRO 70 CO -0.03 -0.80 1.48 0.78 0.04 0.00 0.00 177.00 178.46 1pkt h GLY 71 N 8.29 1.00 1.82 0.56 0.00 -1.64 -2.44 103.07 110.66 1pkt h GLY 71 Ca -0.45 -1.01 0.00 0.00 0.00 0.00 0.00 47.33 45.87 1pkt h GLY 71 CO 0.94 0.91 0.06 -1.30 0.00 0.00 0.00 176.54 177.16 1pkt n THR 72 N -4.09 1.09 -0.32 4.70 -2.24 -1.04 -0.71 114.28 111.67 1pkt n THR 72 Ca -0.02 0.70 -0.02 0.00 -2.27 0.00 0.00 64.05 62.44 1pkt n THR 72 Cb 0.53 -1.70 0.22 0.00 -2.10 0.00 0.00 70.33 67.28 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 -2.09 1.59 -3.99 4.78 4.02 -0.92 -4.77 117.16 115.78 1pkt n TYR 73 Ca -0.01 -0.77 -0.06 0.00 -0.01 0.00 0.00 57.90 57.04 1pkt n TYR 73 Cb 0.09 -0.48 -0.02 0.00 -0.02 0.00 0.00 39.34 38.90 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 0.09 0.00 -3.15 -0.72 0.24 0.12 -1.11 118.33 113.79 1pkt n VAL 74 Ca 0.25 -0.81 -0.05 0.00 -2.04 0.00 0.00 64.34 61.69 1pkt n VAL 74 Cb 1.01 0.43 -0.02 0.00 -1.47 0.00 0.00 33.84 33.78 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 -2.43 0.84 0.09 7.34 -1.05 -0.08 -4.54 118.70 118.87 1pkt s GLU 75 Ca 0.13 -0.67 -0.29 0.00 -0.15 0.00 0.00 54.97 53.99 1pkt s GLU 75 Cb 0.00 -0.19 -0.16 0.00 -0.44 0.00 0.00 34.13 33.35 1pkt s GLU 75 CO 0.09 -1.23 0.68 0.98 0.95 0.00 0.00 175.26 176.73 1pkt n TYR 76 N 3.97 0.05 -0.41 4.83 4.19 -1.26 -2.39 117.16 126.14 1pkt n TYR 76 Ca 0.14 0.88 0.00 0.00 3.31 0.00 0.00 57.90 62.22 1pkt n TYR 76 Cb 0.54 -1.75 0.00 0.00 0.49 0.00 0.00 39.34 38.61 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 0.62 0.00 -2.47 2.97 -0.00 -0.87 -4.84 119.36 114.77 1pkt n ILE 77 Ca 0.16 -0.21 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 1pkt n ILE 77 Cb 0.15 1.41 0.00 0.00 -0.00 0.00 0.00 39.64 41.20 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 0.12 0.61 0.00 7.39 0.00 -1.19 -4.95 105.19 107.17 1pkt n GLY 78 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1pkt n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86