#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 -0.92 3.66 0.62 0.00 -1.25 -3.70 105.19 103.60 1pkt n GLY 5 Ca 0.00 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 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 3.18 -0.22 1.61 1.51 0.52 -4.55 117.35 119.40 1pkt s TYR 6 Ca 0.00 1.32 -0.06 0.00 -1.01 0.00 0.00 57.07 57.32 1pkt s TYR 6 Cb 0.00 -3.36 -0.03 0.00 -0.11 0.00 0.00 41.96 38.46 1pkt s TYR 6 CO 0.00 -0.86 0.04 -0.65 -1.11 0.00 0.00 175.55 172.98 1pkt s GLN 7 N 3.32 3.68 0.46 -0.62 -0.21 -0.99 -0.95 119.66 124.34 1pkt s GLN 7 Ca 0.47 -0.48 0.05 0.00 0.02 0.00 0.00 55.36 55.43 1pkt s GLN 7 Cb -0.17 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.59 1pkt s GLN 7 CO 0.09 -0.06 0.15 0.71 -2.12 0.00 0.00 175.29 174.06 1pkt s TYR 8 N 1.24 2.22 -0.10 0.91 2.02 -0.97 0.26 117.35 122.93 1pkt s TYR 8 Ca 0.04 -0.74 -0.02 0.00 -0.37 0.00 0.00 57.07 55.98 1pkt s TYR 8 Cb -0.15 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 1pkt s TYR 8 CO 0.03 0.12 -0.02 1.03 -1.57 0.00 0.00 175.55 175.14 1pkt s ARG 9 N -3.93 3.13 -0.59 -0.62 3.00 -1.04 -1.65 118.95 117.25 1pkt s ARG 9 Ca 0.29 -0.45 -0.26 0.00 0.00 0.00 0.00 55.73 55.31 1pkt s ARG 9 Cb 0.03 -2.80 -0.04 0.00 0.00 0.00 0.00 34.95 32.14 1pkt s ARG 9 CO 0.16 0.58 2.08 0.00 0.00 0.00 0.00 175.30 178.13 1pkt s ALA 10 N -0.55 1.89 0.40 2.13 0.00 -0.75 -1.07 121.76 123.81 1pkt s ALA 10 Ca 0.09 -0.47 0.12 0.00 0.00 0.00 0.00 51.96 51.71 1pkt s ALA 10 Cb -0.12 -4.34 0.83 0.00 0.00 0.00 0.00 23.12 19.49 1pkt s ALA 10 CO 0.02 -4.23 1.90 -0.07 0.00 0.00 0.00 175.76 173.39 1pkt h LEU 11 N 17.88 0.06 0.00 0.00 3.38 -0.70 -3.26 115.31 132.66 1pkt h LEU 11 Ca -0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1pkt h LEU 11 Cb 1.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1pkt h LEU 11 CO 1.19 0.31 0.00 -1.22 0.09 0.00 0.00 178.44 178.81 1pkt n TYR 12 N -4.22 0.00 -4.00 1.13 4.02 -1.04 -4.78 117.16 108.28 1pkt n TYR 12 Ca -0.02 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.63 1pkt n TYR 12 Cb 0.32 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.47 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 0.28 1.74 -0.11 7.72 -4.77 -1.26 -1.93 116.67 118.34 1pkt s ASP 13 Ca 0.00 -0.21 -0.05 0.00 -3.30 0.00 0.00 52.55 49.00 1pkt s ASP 13 Cb 0.00 -0.65 -0.04 0.00 -1.09 0.00 0.00 42.92 41.14 1pkt s ASP 13 CO 0.00 -0.11 0.07 -0.47 0.70 0.00 0.00 175.17 175.36 1pkt s TYR 14 N 1.51 3.38 -1.05 2.11 5.04 0.13 -4.84 117.35 123.63 1pkt s TYR 14 Ca -0.00 0.36 0.14 0.00 -2.44 0.00 0.00 57.07 55.12 1pkt s TYR 14 Cb -0.13 -1.87 0.59 0.00 0.35 0.00 0.00 41.96 40.90 1pkt s TYR 14 CO -0.04 0.59 1.46 0.36 -1.34 0.00 0.00 175.55 176.58 1pkt n LYS 15 N 2.10 3.37 -2.44 4.97 2.85 -1.26 -0.07 118.16 127.67 1pkt n LYS 15 Ca -0.19 -2.32 -0.01 0.00 -1.05 0.00 0.00 58.31 54.74 1pkt n LYS 15 Cb 0.54 -1.84 -0.01 0.00 -0.65 0.00 0.00 35.03 33.07 1pkt n LYS 15 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1pkt n LYS 16 N 0.78 -2.99 0.00 -1.58 4.81 -1.18 -4.80 118.16 113.19 1pkt n LYS 16 Ca 0.21 2.45 0.00 0.00 -0.87 0.00 0.00 58.31 60.10 1pkt n LYS 16 Cb 0.79 -4.44 0.00 0.00 0.02 0.00 0.00 35.03 31.40 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 0.73 0.00 -1.08 1.64 4.07 -1.26 -4.94 120.64 119.80 1pkt n GLU 17 Ca -0.07 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.73 1pkt n GLU 17 Cb 0.11 -0.35 0.16 0.00 -0.06 0.00 0.00 31.44 31.30 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 0.00 0.94 0.00 5.31 0.52 -1.26 -4.87 118.95 119.58 1pkt s ARG 18 Ca 0.00 0.87 0.18 0.00 -0.52 0.00 0.00 55.73 56.27 1pkt s ARG 18 Cb 0.00 -1.77 1.10 0.00 0.52 0.00 0.00 34.95 34.80 1pkt s ARG 18 CO 0.00 -2.48 1.55 0.39 0.02 0.00 0.00 175.30 174.78 1pkt n GLU 19 N -4.05 0.74 -0.07 3.54 1.02 -1.26 -2.49 120.64 118.07 1pkt n GLU 19 Ca 0.07 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.30 1pkt n GLU 19 Cb 0.55 -1.39 0.11 0.00 -0.02 0.00 0.00 31.44 30.69 1pkt n GLU 19 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pkt n GLU 20 N -0.89 1.77 -3.79 3.49 1.02 -1.26 -4.98 120.64 116.00 1pkt n GLU 20 Ca 0.14 -1.75 -0.23 0.00 -0.02 0.00 0.00 57.16 55.30 1pkt n GLU 20 Cb 0.06 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 1pkt n GLU 20 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1pkt s ASP 21 N -1.35 4.78 0.43 1.62 1.47 -1.04 -2.19 116.67 120.40 1pkt s ASP 21 Ca 0.24 -0.97 0.03 0.00 1.18 0.00 0.00 52.55 53.04 1pkt s ASP 21 Cb 0.16 -0.27 -0.03 0.00 -0.34 0.00 0.00 42.92 42.44 1pkt s ASP 21 CO 0.23 -0.76 0.06 0.27 0.68 0.00 0.00 175.17 175.65 1pkt s ILE 22 N -2.59 1.04 -0.57 2.11 -4.36 -0.64 -4.69 121.20 111.49 1pkt s ILE 22 Ca 0.43 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.57 1pkt s ILE 22 Cb -0.01 -2.43 0.04 0.00 1.25 0.00 0.00 42.46 41.31 1pkt s ILE 22 CO 0.25 0.00 1.01 -1.81 0.24 0.00 0.00 174.94 174.63 1pkt s ASP 23 N -3.69 6.35 0.26 4.36 1.11 -1.26 -3.10 116.67 120.69 1pkt s ASP 23 Ca 0.21 -0.29 -0.07 0.00 0.18 0.00 0.00 52.55 52.59 1pkt s ASP 23 Cb 0.04 -2.47 -0.06 0.00 1.07 0.00 0.00 42.92 41.50 1pkt s ASP 23 CO 0.11 -1.32 0.54 -0.76 1.18 0.00 0.00 175.17 174.93 1pkt s LEU 24 N 4.25 4.11 -0.17 1.23 2.01 0.90 -4.81 118.68 126.19 1pkt s LEU 24 Ca 0.33 0.79 -0.13 0.00 0.01 0.00 0.00 54.13 55.13 1pkt s LEU 24 Cb -0.11 -3.58 0.05 0.00 0.01 0.00 0.00 46.19 42.55 1pkt s LEU 24 CO 0.20 -0.14 0.44 -1.00 1.01 0.00 0.00 176.35 176.86 1pkt s HIS 25 N -1.97 -0.55 0.29 0.29 3.76 -1.24 0.17 115.29 116.04 1pkt s HIS 25 Ca 0.45 1.25 -0.29 0.00 -0.15 0.00 0.00 55.06 56.32 1pkt s HIS 25 Cb -0.11 0.22 -0.13 0.00 1.11 0.00 0.00 32.58 33.67 1pkt s HIS 25 CO 0.26 -0.28 1.33 -0.11 -0.85 0.00 0.00 174.74 175.09 1pkt n LEU 26 N 3.43 3.26 0.00 0.89 0.00 -0.81 -1.23 117.00 122.54 1pkt n LEU 26 Ca -0.17 1.18 0.00 0.00 0.00 0.00 0.00 56.01 57.01 1pkt n LEU 26 Cb 0.56 -1.45 0.00 0.00 0.00 0.00 0.00 43.42 42.53 1pkt n LEU 26 CO 0.10 -0.53 0.00 0.61 0.00 0.00 0.00 177.39 177.57 1pkt n GLY 27 N 1.46 0.79 3.93 -3.96 0.00 -1.23 -5.00 105.19 101.18 1pkt n GLY 27 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1pkt n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pkt s ASP 28 N -2.57 5.99 0.08 1.61 2.15 -0.36 -4.92 116.67 118.64 1pkt s ASP 28 Ca 0.00 0.59 0.08 0.00 0.43 0.00 0.00 52.55 53.65 1pkt s ASP 28 Cb 0.00 -1.87 -0.04 0.00 -0.30 0.00 0.00 42.92 40.71 1pkt s ASP 28 CO 0.00 -0.66 -0.17 -0.63 -0.17 0.00 0.00 175.17 173.54 1pkt s ILE 29 N -2.65 2.91 -0.24 4.11 -1.09 -1.26 -1.81 121.20 121.17 1pkt s ILE 29 Ca 0.48 -1.32 0.02 0.00 -2.23 0.00 0.00 60.65 57.60 1pkt s ILE 29 Cb -0.10 -2.29 0.05 0.00 -1.58 0.00 0.00 42.46 38.54 1pkt s ILE 29 CO 0.41 0.21 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.45 1pkt s LEU 30 N -1.84 3.10 -0.86 2.97 1.02 -0.66 -3.45 118.68 118.97 1pkt s LEU 30 Ca 0.17 -1.24 -0.21 0.00 0.02 0.00 0.00 54.13 52.87 1pkt s LEU 30 Cb -0.11 -1.49 0.09 0.00 0.02 0.00 0.00 46.19 44.71 1pkt s LEU 30 CO 0.08 -0.16 1.16 -0.89 0.02 0.00 0.00 176.35 176.56 1pkt s THR 31 N 1.17 4.38 -0.24 5.49 2.01 -0.84 -2.29 115.64 125.32 1pkt s THR 31 Ca -0.06 -0.92 -0.18 0.00 0.31 0.00 0.00 61.69 60.84 1pkt s THR 31 Cb -0.19 -4.82 -0.03 0.00 0.01 0.00 0.00 72.50 67.48 1pkt s THR 31 CO -0.06 -1.61 0.51 -0.69 -0.69 0.00 0.00 174.62 172.08 1pkt s VAL 32 N 3.76 5.09 0.92 3.82 1.01 -0.13 -1.47 120.40 133.39 1pkt s VAL 32 Ca 0.32 0.88 -0.12 0.00 0.00 0.00 0.00 61.98 63.07 1pkt s VAL 32 Cb -0.08 -3.82 0.13 0.00 0.00 0.00 0.00 36.38 32.61 1pkt s VAL 32 CO -0.02 0.12 0.20 0.59 0.00 0.00 0.00 175.10 175.99 1pkt n ASN 33 N 5.30 -2.83 0.00 3.32 3.02 -1.24 0.20 115.26 123.02 1pkt n ASN 33 Ca -0.05 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 1pkt n ASN 33 Cb 0.50 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1pkt n ASN 33 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pkt n LYS 34 N -0.98 0.00 0.09 3.52 4.01 -1.26 -3.21 118.16 120.33 1pkt n LYS 34 Ca 0.05 0.27 0.15 0.00 -0.51 0.00 0.00 58.31 58.27 1pkt n LYS 34 Cb 0.30 -0.75 0.65 0.00 -0.51 0.00 0.00 35.03 34.73 1pkt n LYS 34 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1pkt h GLY 35 N 0.00 0.05 -0.37 0.72 0.00 -1.95 -1.53 103.07 99.98 1pkt h GLY 35 Ca 0.00 -0.02 0.32 0.00 0.00 0.00 0.00 47.33 47.64 1pkt h GLY 35 CO 0.00 0.01 0.77 0.23 0.00 0.00 0.00 176.54 177.55 1pkt h SER 36 N 0.04 0.25 0.11 0.19 0.87 -1.94 0.73 113.55 113.80 1pkt h SER 36 Ca 0.16 0.06 -0.36 0.00 -1.23 0.00 0.00 61.79 60.42 1pkt h SER 36 Cb 0.59 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1pkt h SER 36 CO -0.01 0.02 -1.99 -0.11 -0.53 0.00 0.00 176.83 174.22 1pkt n LEU 37 N -4.46 2.62 0.00 2.23 0.00 -0.59 -3.91 117.00 112.90 1pkt n LEU 37 Ca 0.27 0.21 0.09 0.00 0.00 0.00 0.00 56.01 56.58 1pkt n LEU 37 Cb 1.10 -1.11 0.56 0.00 0.00 0.00 0.00 43.42 43.98 1pkt n LEU 37 CO 0.31 0.83 0.84 0.52 0.00 0.00 0.00 177.39 179.89 1pkt n VAL 38 N -3.52 0.00 0.49 1.96 0.31 -0.38 -3.47 118.33 113.71 1pkt n VAL 38 Ca -0.33 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.06 1pkt n VAL 38 Cb 1.03 -0.35 0.27 0.00 -0.91 0.00 0.00 33.84 33.87 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 -0.82 1.63 0.61 3.52 0.00 0.24 -1.55 120.51 124.14 1pkt n ALA 39 Ca 0.14 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.60 1pkt n ALA 39 Cb 0.07 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.34 1.04 -0.04 0.00 7.99 -1.23 -4.97 117.00 118.45 1pkt n LEU 40 Ca 0.05 -0.63 0.00 0.00 -0.01 0.00 0.00 56.01 55.41 1pkt n LEU 40 Cb 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 1pkt n LEU 40 CO 0.09 0.22 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 1pkt n GLY 41 N 1.18 1.39 0.00 -0.72 0.00 -0.60 -5.08 105.19 101.36 1pkt n GLY 41 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.33 -1.31 -4.10 1.61 3.01 -1.26 -5.04 117.46 109.04 1pkt n PHE 42 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.38 1pkt n PHE 42 Cb 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.49 1pkt n PHE 42 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1pkt s SER 43 N -1.76 0.50 -0.09 4.37 1.04 -1.26 -5.06 113.70 111.44 1pkt s SER 43 Ca 0.00 -1.04 -0.29 0.00 0.48 0.00 0.00 55.95 55.10 1pkt s SER 43 Cb 0.00 0.21 -0.07 0.00 0.10 0.00 0.00 66.02 66.26 1pkt s SER 43 CO 0.00 -0.61 2.09 -0.67 0.98 0.00 0.00 173.24 175.03 1pkt n ASP 44 N 0.07 3.69 0.00 7.02 2.03 -1.26 -1.46 116.55 126.64 1pkt n ASP 44 Ca -0.12 0.57 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1pkt n ASP 44 Cb 0.61 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 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 5.15 1.68 0.21 0.27 0.00 -1.26 -4.91 105.19 106.33 1pkt n GLY 45 Ca 0.25 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 0.32 -0.11 1.61 1.08 -1.59 -2.57 115.11 113.85 1pkt h GLN 46 Ca 0.00 -0.14 -0.05 0.00 -1.45 0.00 0.00 58.65 57.01 1pkt h GLN 46 Cb 0.00 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1pkt h GLN 46 CO 0.00 0.64 -0.15 1.05 -0.95 0.00 0.00 178.83 179.42 1pkt h GLU 47 N 0.27 0.17 0.00 1.46 4.11 -1.91 -1.44 114.58 117.24 1pkt h GLU 47 Ca 0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1pkt h GLU 47 Cb 0.77 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1pkt h GLU 47 CO 0.06 0.33 -0.19 0.00 0.07 0.00 0.00 179.01 179.27 1pkt n ALA 48 N -2.49 2.50 -3.68 1.06 0.00 -1.00 -4.29 120.51 112.61 1pkt n ALA 48 Ca -0.01 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 52.98 1pkt n ALA 48 Cb 0.27 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.27 1pkt n ALA 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pkt s ARG 49 N -3.11 3.16 0.10 0.00 1.81 -0.54 -4.32 118.95 116.05 1pkt s ARG 49 Ca 0.09 -3.31 -0.32 0.00 -1.72 0.00 0.00 55.73 50.48 1pkt s ARG 49 Cb 0.13 -3.88 -0.12 0.00 -0.45 0.00 0.00 34.95 30.63 1pkt s ARG 49 CO 0.63 -1.27 1.60 -1.35 -0.68 0.00 0.00 175.30 174.23 1pkt h PRO 50 N 5.89 -0.71 -1.24 3.54 0.11 -1.75 -0.75 132.00 137.10 1pkt h PRO 50 Ca 0.16 0.05 0.39 0.00 0.11 0.00 0.00 66.00 66.70 1pkt h PRO 50 Cb 0.80 0.16 -0.12 0.00 0.11 0.00 0.00 31.00 31.95 1pkt h PRO 50 CO 0.84 -0.47 0.80 1.49 -0.21 0.00 0.00 178.00 180.44 1pkt h GLU 51 N -0.73 0.16 -1.67 1.05 4.81 -1.82 0.98 114.58 117.35 1pkt h GLU 51 Ca -0.01 -0.01 -0.42 0.00 -0.13 0.00 0.00 59.36 58.80 1pkt h GLU 51 Cb 0.70 -0.04 -0.16 0.00 0.63 0.00 0.00 28.75 29.88 1pkt h GLU 51 CO -0.14 0.11 0.44 0.39 -0.73 0.00 0.00 179.01 179.07 1pkt n GLU 52 N -4.68 2.10 0.00 1.92 1.02 -0.29 -3.92 120.64 116.79 1pkt n GLU 52 Ca 0.34 -1.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.49 1pkt n GLU 52 Cb 1.28 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 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 0.47 0.00 0.00 -3.67 5.41 0.34 -4.94 119.36 116.96 1pkt n ILE 53 Ca 0.40 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.15 1pkt n ILE 53 Cb 0.57 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.41 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 1.83 2.25 3.08 7.39 0.00 -1.22 -4.97 105.19 113.56 1pkt n GLY 54 Ca 0.00 -0.67 -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 0.17 1.61 0.52 -1.26 -2.56 118.94 117.30 1pkt s TRP 55 Ca 0.00 0.26 0.05 0.00 0.02 0.00 0.00 56.10 56.42 1pkt s TRP 55 Cb 0.00 0.03 -0.05 0.00 -1.15 0.00 0.00 33.47 32.30 1pkt s TRP 55 CO 0.00 -0.17 -0.09 -0.51 0.02 0.00 0.00 176.95 176.20 1pkt s LEU 56 N -0.47 2.48 -0.25 2.99 1.02 -1.01 -4.88 118.68 118.55 1pkt s LEU 56 Ca -0.06 -1.05 -0.05 0.00 0.02 0.00 0.00 54.13 53.00 1pkt s LEU 56 Cb -0.04 -0.38 0.00 0.00 0.02 0.00 0.00 46.19 45.80 1pkt s LEU 56 CO 0.01 -0.34 0.00 0.21 0.02 0.00 0.00 176.35 176.25 1pkt s ASN 57 N -3.21 4.64 0.22 2.29 3.04 -1.26 -1.68 114.94 118.98 1pkt s ASN 57 Ca 0.19 -0.59 0.05 0.00 0.04 0.00 0.00 52.86 52.55 1pkt s ASN 57 Cb 0.03 -1.78 -0.02 0.00 -1.54 0.00 0.00 41.25 37.94 1pkt s ASN 57 CO 0.03 -0.10 0.16 0.61 -3.04 0.00 0.00 177.10 174.76 1pkt n GLY 58 N 4.80 3.36 3.13 1.21 0.00 -0.82 -3.97 105.19 112.90 1pkt n GLY 58 Ca -0.16 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.80 3.19 -1.31 1.61 5.04 -0.54 -2.57 117.35 119.96 1pkt s TYR 59 Ca 0.23 -1.99 -0.18 0.00 -2.44 0.00 0.00 57.07 52.69 1pkt s TYR 59 Cb 0.01 -2.00 0.05 0.00 0.35 0.00 0.00 41.96 40.37 1pkt s TYR 59 CO 0.16 -0.82 1.81 0.09 -1.34 0.00 0.00 175.55 175.45 1pkt n ASN 60 N 4.55 4.68 -0.34 4.32 5.03 -0.67 -1.98 115.26 130.85 1pkt n ASN 60 Ca -0.15 -2.90 0.21 0.00 0.87 0.00 0.00 54.58 52.61 1pkt n ASN 60 Cb 0.44 -1.73 0.45 0.00 -1.02 0.00 0.00 39.78 37.92 1pkt n ASN 60 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1pkt h GLU 61 N 7.51 0.46 -0.73 3.52 4.81 -1.87 1.34 114.58 129.63 1pkt h GLU 61 Ca 0.45 -0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.82 1pkt h GLU 61 Cb 0.84 -0.10 -0.12 0.00 0.63 0.00 0.00 28.75 30.00 1pkt h GLU 61 CO 1.50 0.30 0.09 1.15 -0.73 0.00 0.00 179.01 181.33 1pkt h THR 62 N 0.47 0.43 -0.08 0.32 2.02 -1.86 -1.71 112.91 112.51 1pkt h THR 62 Ca 0.64 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.76 1pkt h THR 62 Cb 1.42 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1pkt h THR 62 CO -0.41 0.03 0.00 0.35 0.37 0.00 0.00 175.52 175.86 1pkt n THR 63 N -5.25 1.78 -4.16 3.16 -2.24 0.33 -4.98 114.28 102.91 1pkt n THR 63 Ca 0.14 -1.89 -0.30 0.00 -2.27 0.00 0.00 64.05 59.72 1pkt n THR 63 Cb 0.46 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.95 -0.22 3.03 3.38 0.00 0.44 -4.91 105.19 105.94 1pkt n GLY 64 Ca 0.14 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 1pkt n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pkt s GLU 65 N -7.08 2.03 0.14 1.61 -6.30 -0.99 -4.92 118.70 103.20 1pkt s GLU 65 Ca 0.05 -1.23 -0.04 0.00 -2.50 0.00 0.00 54.97 51.24 1pkt s GLU 65 Cb -0.02 -2.79 -0.05 0.00 0.00 0.00 0.00 34.13 31.26 1pkt s GLU 65 CO 0.96 -0.58 0.37 -0.98 0.02 0.00 0.00 175.26 175.04 1pkt s ARG 66 N 1.20 3.59 0.00 4.30 1.70 -1.26 -1.67 118.95 126.81 1pkt s ARG 66 Ca -0.08 -0.15 0.00 0.00 -0.47 0.00 0.00 55.73 55.04 1pkt s ARG 66 Cb -0.20 -2.86 0.00 0.00 -0.57 0.00 0.00 34.95 31.32 1pkt s ARG 66 CO -0.05 0.47 0.00 0.41 -1.08 0.00 0.00 175.30 175.04 1pkt n GLY 67 N 0.01 -0.05 3.99 3.88 0.00 -1.06 -4.82 105.19 107.13 1pkt n GLY 67 Ca -0.03 -1.35 -0.19 0.00 0.00 0.00 0.00 46.02 44.45 1pkt n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pkt s ASP 68 N -4.00 5.88 0.04 1.61 1.01 -0.93 -1.95 116.67 118.32 1pkt s ASP 68 Ca 0.00 -0.19 -0.27 0.00 0.71 0.00 0.00 52.55 52.79 1pkt s ASP 68 Cb 0.00 -1.13 0.09 0.00 1.01 0.00 0.00 42.92 42.90 1pkt s ASP 68 CO 0.00 -0.54 0.79 0.72 0.21 0.00 0.00 175.17 176.35 1pkt s PHE 69 N -2.26 -0.42 -0.06 4.23 -0.71 -0.68 -1.63 117.98 116.46 1pkt s PHE 69 Ca 0.48 0.32 -0.29 0.00 -1.04 0.00 0.00 56.93 56.39 1pkt s PHE 69 Cb -0.10 0.53 -0.07 0.00 -1.21 0.00 0.00 43.02 42.17 1pkt s PHE 69 CO 0.32 -0.63 2.04 -2.14 -1.34 0.00 0.00 175.22 173.47 1pkt s PRO 70 N -3.11 3.79 0.22 1.99 0.01 -1.26 -2.40 135.00 134.24 1pkt s PRO 70 Ca 0.03 2.39 -0.04 0.00 0.01 0.00 0.00 61.00 63.38 1pkt s PRO 70 Cb -0.01 -4.23 0.20 0.00 0.01 0.00 0.00 34.50 30.47 1pkt s PRO 70 CO -0.09 -1.35 1.65 0.78 0.01 0.00 0.00 177.00 178.00 1pkt h GLY 71 N 12.16 0.87 1.51 0.52 0.00 -1.76 -2.31 103.07 114.05 1pkt h GLY 71 Ca -0.46 -0.70 0.04 0.00 0.00 0.00 0.00 47.33 46.20 1pkt h GLY 71 CO 0.95 0.64 0.21 -0.91 0.00 0.00 0.00 176.54 177.44 1pkt h THR 72 N 0.72 0.28 -0.58 4.70 1.35 -1.79 0.48 112.91 118.06 1pkt h THR 72 Ca 0.11 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.70 1pkt h THR 72 Cb 0.67 0.82 -0.16 0.00 -1.73 0.00 0.00 68.15 67.74 1pkt h THR 72 CO 0.05 0.00 0.34 -1.22 -0.25 0.00 0.00 175.52 174.44 1pkt n TYR 73 N -3.47 1.82 -4.26 4.73 4.02 -0.87 -4.68 117.16 114.45 1pkt n TYR 73 Ca 0.00 -1.19 -0.14 0.00 -0.01 0.00 0.00 57.90 56.56 1pkt n TYR 73 Cb 0.31 -0.63 -0.10 0.00 -0.02 0.00 0.00 39.34 38.90 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 -2.07 0.27 -0.36 -0.72 -7.23 0.15 -0.01 120.40 110.43 1pkt s VAL 74 Ca 0.35 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1pkt s VAL 74 Cb 0.29 -2.56 0.14 0.00 0.56 0.00 0.00 36.38 34.81 1pkt s VAL 74 CO 0.07 0.00 0.22 -1.83 -0.31 0.00 0.00 175.10 173.25 1pkt s GLU 75 N -4.07 0.65 -0.44 4.82 -1.05 -0.24 -4.66 118.70 113.70 1pkt s GLU 75 Ca 0.38 -1.43 -0.41 0.00 -0.15 0.00 0.00 54.97 53.36 1pkt s GLU 75 Cb 0.07 -1.43 -0.17 0.00 -0.44 0.00 0.00 34.13 32.16 1pkt s GLU 75 CO 0.13 -1.21 1.62 0.98 0.95 0.00 0.00 175.26 177.74 1pkt n TYR 76 N 3.95 1.34 -2.23 4.83 9.36 -1.26 -2.49 117.16 130.66 1pkt n TYR 76 Ca 0.12 0.88 -0.01 0.00 3.32 0.00 0.00 57.90 62.21 1pkt n TYR 76 Cb 0.37 -2.00 -0.02 0.00 -0.63 0.00 0.00 39.34 37.06 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 4.49 0.00 -3.89 2.97 5.41 -0.75 -4.90 119.36 122.68 1pkt n ILE 77 Ca 0.36 -0.45 -0.20 0.00 1.00 0.00 0.00 62.75 63.47 1pkt n ILE 77 Cb -0.05 0.69 -0.17 0.00 -0.71 0.00 0.00 39.64 39.41 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 -1.38 0.34 0.00 7.39 0.00 0.72 -4.84 107.32 109.56 1pkt s GLY 78 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.92 1pkt s GLY 78 CO -0.08 0.83 0.00 -2.13 0.00 0.00 0.00 173.10 171.72