#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 2.71 3.63 0.62 0.00 -1.26 -4.28 105.19 106.61 1pkt n GLY 5 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.67 3.07 -0.20 1.61 2.02 0.12 -4.74 117.35 118.55 1pkt s TYR 6 Ca 0.00 1.10 -0.11 0.00 -0.37 0.00 0.00 57.07 57.68 1pkt s TYR 6 Cb 0.00 -3.84 -0.05 0.00 -0.40 0.00 0.00 41.96 37.67 1pkt s TYR 6 CO 0.00 -0.89 0.20 -0.65 -1.57 0.00 0.00 175.55 172.64 1pkt s GLN 7 N 3.82 4.17 0.49 -0.62 -0.21 -0.86 -1.72 119.66 124.74 1pkt s GLN 7 Ca 0.46 -0.13 0.04 0.00 0.02 0.00 0.00 55.36 55.76 1pkt s GLN 7 Cb -0.11 -3.47 -0.01 0.00 1.00 0.00 0.00 33.01 30.42 1pkt s GLN 7 CO 0.19 0.19 0.18 0.71 -2.12 0.00 0.00 175.29 174.43 1pkt s TYR 8 N 0.68 1.99 -0.21 0.91 2.02 -0.94 -1.58 117.35 120.22 1pkt s TYR 8 Ca 0.11 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 1pkt s TYR 8 Cb -0.12 -1.80 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1pkt s TYR 8 CO 0.02 -0.00 -0.14 0.50 -1.57 0.00 0.00 175.55 174.36 1pkt s ARG 9 N -4.01 2.90 -0.95 -0.62 3.52 -0.94 -1.91 118.95 116.94 1pkt s ARG 9 Ca 0.25 -0.91 -0.26 0.00 -0.13 0.00 0.00 55.73 54.68 1pkt s ARG 9 Cb 0.01 -2.76 -0.16 0.00 -1.56 0.00 0.00 34.95 30.48 1pkt s ARG 9 CO 0.14 -0.30 2.21 0.00 -0.81 0.00 0.00 175.30 176.55 1pkt s ALA 10 N 1.29 0.76 0.22 6.12 0.00 -0.60 -1.69 121.76 127.87 1pkt s ALA 10 Ca 0.02 -1.24 -0.14 0.00 0.00 0.00 0.00 51.96 50.60 1pkt s ALA 10 Cb -0.15 -4.64 0.26 0.00 0.00 0.00 0.00 23.12 18.59 1pkt s ALA 10 CO -0.09 -6.20 1.61 -0.07 0.00 0.00 0.00 175.76 171.02 1pkt h LEU 11 N 21.73 -0.70-10.03 0.00 -0.00 0.20 -3.15 115.31 123.37 1pkt h LEU 11 Ca 0.03 0.21 -0.54 0.00 -0.00 0.00 0.00 57.88 57.58 1pkt h LEU 11 Cb 0.99 0.44 -0.06 0.00 -0.00 0.00 0.00 40.66 42.04 1pkt h LEU 11 CO 1.04 -0.24 -0.44 -0.31 -0.00 0.00 0.00 178.44 178.49 1pkt s TYR 12 N -6.21 2.57 0.04 1.13 2.02 -1.09 -4.18 117.35 111.62 1pkt s TYR 12 Ca -0.14 -0.58 -0.00 0.00 -0.37 0.00 0.00 57.07 55.98 1pkt s TYR 12 Cb 0.20 -2.03 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1pkt s TYR 12 CO 0.74 0.03 0.05 -0.40 -1.57 0.00 0.00 175.55 174.40 1pkt n ASP 13 N -1.38 0.04 0.00 2.29 5.75 -1.26 -4.04 116.55 117.95 1pkt n ASP 13 Ca 0.00 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.75 1pkt n ASP 13 Cb 0.64 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1pkt n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pkt n TYR 14 N -1.70 0.00 -2.57 2.11 9.36 -0.23 -4.78 117.16 119.35 1pkt n TYR 14 Ca 0.01 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.80 1pkt n TYR 14 Cb 0.02 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.71 1pkt n TYR 14 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1pkt s LYS 15 N 0.00 3.67 -0.98 2.98 -2.85 -1.26 -1.19 119.74 120.11 1pkt s LYS 15 Ca 0.00 0.55 -0.16 0.00 -1.00 0.00 0.00 55.97 55.36 1pkt s LYS 15 Cb 0.00 -3.94 -0.30 0.00 -2.06 0.00 0.00 37.83 31.54 1pkt s LYS 15 CO 0.00 -1.45 2.29 0.36 0.10 0.00 0.00 175.35 176.65 1pkt n LYS 16 N 7.97 0.00 0.44 1.78 -0.00 -1.24 -4.74 118.16 122.37 1pkt n LYS 16 Ca 0.12 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.26 1pkt n LYS 16 Cb 0.49 -1.14 -0.08 0.00 -0.00 0.00 0.00 35.03 34.29 1pkt n LYS 16 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1pkt h GLU 17 N 11.15 -1.09 -6.63 -1.58 5.08 -1.88 -3.44 114.58 116.19 1pkt h GLU 17 Ca 0.01 0.07 -0.51 0.00 -1.00 0.00 0.00 59.36 57.94 1pkt h GLU 17 Cb 1.17 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 1pkt h GLU 17 CO 1.53 -0.73 -0.05 1.03 -1.00 0.00 0.00 179.01 179.80 1pkt s ARG 18 N -5.25 3.67 0.00 2.33 0.52 -1.26 -4.94 118.95 114.02 1pkt s ARG 18 Ca -0.17 0.15 0.07 0.00 -0.52 0.00 0.00 55.73 55.27 1pkt s ARG 18 Cb 0.02 -2.55 0.32 0.00 0.52 0.00 0.00 34.95 33.26 1pkt s ARG 18 CO 0.50 0.11 1.21 0.39 0.02 0.00 0.00 175.30 177.52 1pkt n GLU 19 N -1.16 0.02 0.15 3.54 1.02 -1.26 -1.51 120.64 121.44 1pkt n GLU 19 Ca -0.00 0.34 0.08 0.00 -0.02 0.00 0.00 57.16 57.56 1pkt n GLU 19 Cb 0.54 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.52 1pkt n GLU 19 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1pkt h GLU 20 N 0.00 0.00 -6.11 3.49 4.81 -1.95 -3.46 114.58 111.37 1pkt h GLU 20 Ca 0.00 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.72 1pkt h GLU 20 Cb 0.11 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1pkt h GLU 20 CO 0.00 0.14 -0.45 0.16 -0.73 0.00 0.00 179.01 178.13 1pkt s ASP 21 N -5.97 6.32 0.50 1.04 1.47 -0.57 -2.53 116.67 116.92 1pkt s ASP 21 Ca 0.03 0.12 0.06 0.00 1.18 0.00 0.00 52.55 53.95 1pkt s ASP 21 Cb 0.07 -1.88 0.02 0.00 -0.34 0.00 0.00 42.92 40.79 1pkt s ASP 21 CO 0.74 0.00 0.38 0.27 0.68 0.00 0.00 175.17 177.24 1pkt s ILE 22 N -1.84 1.96 0.51 2.11 -5.25 -0.99 -4.69 121.20 113.01 1pkt s ILE 22 Ca 0.34 -1.47 -0.19 0.00 -0.99 0.00 0.00 60.65 58.35 1pkt s ILE 22 Cb -0.10 -2.43 -0.08 0.00 2.95 0.00 0.00 42.46 42.81 1pkt s ILE 22 CO 0.29 0.00 1.03 -1.81 -1.79 0.00 0.00 174.94 172.66 1pkt s ASP 23 N -4.22 6.29 0.04 4.36 1.11 -1.26 -3.59 116.67 119.39 1pkt s ASP 23 Ca 0.39 1.85 0.02 0.00 0.18 0.00 0.00 52.55 54.99 1pkt s ASP 23 Cb -0.02 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.40 1pkt s ASP 23 CO 0.23 -0.82 -0.07 -0.22 1.18 0.00 0.00 175.17 175.48 1pkt s LEU 24 N -3.74 2.25 -0.13 1.23 2.96 -0.33 -4.92 118.68 116.00 1pkt s LEU 24 Ca 0.65 -0.54 -0.28 0.00 -0.22 0.00 0.00 54.13 53.74 1pkt s LEU 24 Cb -0.15 -0.10 0.07 0.00 0.50 0.00 0.00 46.19 46.50 1pkt s LEU 24 CO 0.24 -0.23 0.67 -1.00 -1.32 0.00 0.00 176.35 174.71 1pkt s HIS 25 N -1.42 -0.68 0.23 5.38 3.76 -1.26 -1.07 115.29 120.24 1pkt s HIS 25 Ca -0.11 1.37 -0.31 0.00 -0.15 0.00 0.00 55.06 55.86 1pkt s HIS 25 Cb -0.10 0.34 -0.14 0.00 1.11 0.00 0.00 32.58 33.78 1pkt s HIS 25 CO 0.00 -0.51 1.21 -0.11 -0.85 0.00 0.00 174.74 174.49 1pkt n LEU 26 N 1.62 2.18 0.00 0.89 7.94 -1.19 -0.94 117.00 127.50 1pkt n LEU 26 Ca -0.17 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.88 1pkt n LEU 26 Cb 0.56 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.20 1pkt n LEU 26 CO 0.16 -1.03 0.00 0.61 -1.11 0.00 0.00 177.39 176.02 1pkt n GLY 27 N 1.82 0.87 3.84 -3.96 0.00 -1.25 -5.02 105.19 101.48 1pkt n GLY 27 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.97 6.84 0.03 1.61 -1.08 -0.12 -4.95 116.67 116.03 1pkt s ASP 28 Ca 0.00 1.09 0.03 0.00 -0.52 0.00 0.00 52.55 53.15 1pkt s ASP 28 Cb 0.00 -2.29 -0.04 0.00 -1.46 0.00 0.00 42.92 39.13 1pkt s ASP 28 CO 0.00 0.10 -0.01 -0.63 0.52 0.00 0.00 175.17 175.15 1pkt s ILE 29 N -1.47 4.03 -0.22 4.11 1.09 -1.26 -1.56 121.20 125.93 1pkt s ILE 29 Ca 0.38 -0.75 0.01 0.00 -1.10 0.00 0.00 60.65 59.19 1pkt s ILE 29 Cb -0.15 -2.83 0.05 0.00 -1.06 0.00 0.00 42.46 38.47 1pkt s ILE 29 CO 0.19 0.30 -0.08 -0.76 -0.10 0.00 0.00 174.94 174.49 1pkt s LEU 30 N -1.76 2.43 -0.92 2.97 1.02 -0.80 -3.74 118.68 117.88 1pkt s LEU 30 Ca 0.21 -1.03 -0.22 0.00 0.02 0.00 0.00 54.13 53.12 1pkt s LEU 30 Cb -0.11 -1.21 0.08 0.00 0.02 0.00 0.00 46.19 44.97 1pkt s LEU 30 CO 0.12 -0.19 1.26 -0.89 0.02 0.00 0.00 176.35 176.67 1pkt s THR 31 N 1.39 4.26 -0.35 5.49 2.01 -0.56 -2.20 115.64 125.67 1pkt s THR 31 Ca -0.04 -0.93 -0.18 0.00 0.31 0.00 0.00 61.69 60.85 1pkt s THR 31 Cb -0.17 -4.90 -0.00 0.00 0.01 0.00 0.00 72.50 67.43 1pkt s THR 31 CO -0.07 -1.72 0.51 -0.69 -0.69 0.00 0.00 174.62 171.96 1pkt s VAL 32 N 4.07 5.02 0.83 3.82 1.01 -0.70 -1.42 120.40 133.02 1pkt s VAL 32 Ca 0.37 0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.55 1pkt s VAL 32 Cb -0.04 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.44 1pkt s VAL 32 CO -0.06 -0.21 0.96 -3.20 0.00 0.00 0.00 175.10 172.59 1pkt n ASN 33 N 5.72 0.08 0.16 3.32 5.15 -1.26 0.11 115.26 128.54 1pkt n ASN 33 Ca -0.05 0.53 0.13 0.00 -0.60 0.00 0.00 54.58 54.59 1pkt n ASN 33 Cb 0.49 -1.41 0.42 0.00 -0.53 0.00 0.00 39.78 38.75 1pkt n ASN 33 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1pkt h LYS 34 N -1.03 0.00 0.00 1.20 1.57 -1.91 -3.13 116.57 113.28 1pkt h LYS 34 Ca -0.45 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.11 1pkt h LYS 34 Cb 1.30 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 1pkt h LYS 34 CO 0.43 0.00 -1.20 0.78 -0.57 0.00 0.00 179.45 178.89 1pkt h GLY 35 N 3.52 0.00 0.89 3.86 0.00 -1.93 -2.38 103.07 107.04 1pkt h GLY 35 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.49 1pkt h GLY 35 CO 0.00 0.00 0.40 1.48 0.00 0.00 0.00 176.54 178.42 1pkt h SER 36 N -1.00 0.03 0.40 0.19 4.64 -1.93 0.83 113.55 116.71 1pkt h SER 36 Ca -0.32 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.69 1pkt h SER 36 Cb 1.26 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 1pkt h SER 36 CO -0.20 0.01 -1.78 -0.11 -0.87 0.00 0.00 176.83 173.88 1pkt n LEU 37 N -4.38 1.28 -0.55 5.97 7.94 -1.18 -3.90 117.00 122.18 1pkt n LEU 37 Ca 0.10 0.36 0.12 0.00 -1.11 0.00 0.00 56.01 55.49 1pkt n LEU 37 Cb 0.62 -0.13 0.41 0.00 0.53 0.00 0.00 43.42 44.85 1pkt n LEU 37 CO 0.37 0.50 0.80 0.52 -1.11 0.00 0.00 177.39 178.46 1pkt n VAL 38 N -3.14 0.15 0.47 1.96 0.31 -0.41 -3.95 118.33 113.72 1pkt n VAL 38 Ca -0.20 -0.33 0.05 0.00 -0.01 0.00 0.00 64.34 63.85 1pkt n VAL 38 Cb 1.05 0.44 0.26 0.00 -0.91 0.00 0.00 33.84 34.69 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 0.32 1.61 -0.79 3.52 0.00 0.28 -1.62 120.51 123.84 1pkt n ALA 39 Ca 0.17 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.64 1pkt n ALA 39 Cb 0.35 -1.18 0.31 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.37 4.52 -1.71 0.00 7.99 -1.25 -4.92 117.00 120.26 1pkt n LEU 40 Ca 0.04 -2.74 -0.08 0.00 -0.01 0.00 0.00 56.01 53.22 1pkt n LEU 40 Cb 0.11 -0.56 0.03 0.00 -0.11 0.00 0.00 43.42 42.89 1pkt n LEU 40 CO 0.09 0.70 0.08 0.61 -1.51 0.00 0.00 177.39 177.36 1pkt n GLY 41 N 0.33 0.33 0.00 -0.72 0.00 -0.64 -5.03 105.19 99.46 1pkt n GLY 41 Ca 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.05 -2.37 -4.82 1.61 3.01 -1.24 -5.05 117.46 105.54 1pkt n PHE 42 Ca -0.03 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.18 1pkt n PHE 42 Cb 0.53 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.85 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 -1.64 2.11 -0.16 4.37 1.04 -1.26 -5.06 113.70 113.10 1pkt s SER 43 Ca 0.00 -0.34 -0.39 0.00 0.48 0.00 0.00 55.95 55.70 1pkt s SER 43 Cb 0.00 -0.51 -0.16 0.00 0.10 0.00 0.00 66.02 65.46 1pkt s SER 43 CO 0.00 0.16 1.65 -0.67 0.98 0.00 0.00 173.24 175.36 1pkt n ASP 44 N 3.04 2.30 0.00 7.02 2.03 -1.26 -0.76 116.55 128.91 1pkt n ASP 44 Ca -0.17 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.22 1pkt n ASP 44 Cb 0.53 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 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 3.76 3.12 0.28 0.27 0.00 -1.26 -4.82 105.19 106.55 1pkt n GLY 45 Ca 0.24 -0.88 0.13 0.00 0.00 0.00 0.00 46.02 45.52 1pkt n GLY 45 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pkt h GLN 46 N 0.00 0.00 -0.25 1.61 5.75 -1.33 -1.72 115.11 119.18 1pkt h GLN 46 Ca 0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1pkt h GLN 46 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1pkt h GLN 46 CO 0.00 0.07 0.06 0.93 -2.65 0.00 0.00 178.83 177.24 1pkt h GLU 47 N 0.00 0.35 -0.85 1.69 3.07 -1.87 -0.83 114.58 116.13 1pkt h GLU 47 Ca -0.00 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1pkt h GLU 47 Cb 0.17 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1pkt h GLU 47 CO 0.01 0.32 0.01 0.00 -1.40 0.00 0.00 179.01 177.96 1pkt n ALA 48 N -2.49 3.06 -3.31 3.43 0.00 -0.65 -4.32 120.51 116.23 1pkt n ALA 48 Ca 0.01 -0.73 -0.26 0.00 0.00 0.00 0.00 53.44 52.46 1pkt n ALA 48 Cb 0.15 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.46 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 0.21 0.56 -0.09 0.00 3.00 -0.32 -4.20 116.66 115.83 1pkt n ARG 49 Ca 0.11 -3.28 -0.06 0.00 -0.00 0.00 0.00 57.85 54.61 1pkt n ARG 49 Cb 0.62 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.60 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 4.79 0.13 -1.11 -0.14 0.11 -1.75 -0.81 132.00 133.22 1pkt h PRO 50 Ca 0.17 -0.01 0.32 0.00 0.11 0.00 0.00 66.00 66.59 1pkt h PRO 50 Cb 0.88 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.92 1pkt h PRO 50 CO 0.44 0.09 1.04 1.05 -0.21 0.00 0.00 178.00 180.40 1pkt h GLU 51 N 0.13 0.00 -1.76 1.05 9.09 -1.59 0.52 114.58 122.01 1pkt h GLU 51 Ca 0.15 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.91 1pkt h GLU 51 Cb 0.18 0.00 -0.37 0.00 -1.65 0.00 0.00 28.75 26.91 1pkt h GLU 51 CO -0.22 0.00 -0.16 0.39 0.05 0.00 0.00 179.01 179.07 1pkt n GLU 52 N -3.62 3.33 0.00 1.06 -0.58 -0.31 -4.57 120.64 115.95 1pkt n GLU 52 Ca 0.24 -4.29 0.00 0.00 -0.42 0.00 0.00 57.16 52.69 1pkt n GLU 52 Cb 1.39 -2.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 1pkt n GLU 52 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1pkt n ILE 53 N -0.45 0.00 0.00 -3.67 5.41 0.18 -4.96 119.36 115.87 1pkt n ILE 53 Ca 0.43 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.18 1pkt n ILE 53 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 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 1.24 2.24 2.97 7.39 0.00 -1.22 -4.97 105.19 112.84 1pkt n GLY 54 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 0.38 0.08 1.61 0.52 -1.26 -2.00 118.94 118.27 1pkt s TRP 55 Ca 0.00 -0.27 0.03 0.00 0.02 0.00 0.00 56.10 55.87 1pkt s TRP 55 Cb 0.00 -0.24 -0.03 0.00 -1.15 0.00 0.00 33.47 32.04 1pkt s TRP 55 CO 0.00 -0.06 -0.08 -0.51 0.02 0.00 0.00 176.95 176.31 1pkt s LEU 56 N -0.77 2.37 -0.35 2.99 1.02 -0.67 -4.88 118.68 118.38 1pkt s LEU 56 Ca -0.05 -0.76 -0.06 0.00 0.02 0.00 0.00 54.13 53.28 1pkt s LEU 56 Cb -0.05 -0.20 0.05 0.00 0.02 0.00 0.00 46.19 46.01 1pkt s LEU 56 CO -0.00 -0.29 0.13 0.21 0.02 0.00 0.00 176.35 176.42 1pkt s ASN 57 N -2.24 5.32 0.05 2.29 2.47 -1.26 -1.33 114.94 120.24 1pkt s ASN 57 Ca 0.01 -1.30 0.01 0.00 0.42 0.00 0.00 52.86 51.99 1pkt s ASN 57 Cb -0.04 -1.87 -0.00 0.00 -1.45 0.00 0.00 41.25 37.89 1pkt s ASN 57 CO -0.01 -0.38 0.02 0.61 -3.72 0.00 0.00 177.10 173.62 1pkt n GLY 58 N 4.79 4.00 3.19 1.21 0.00 -0.84 -4.05 105.19 113.50 1pkt n GLY 58 Ca -0.11 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.73 2.93 -1.44 1.61 5.04 -0.51 -2.54 117.35 120.71 1pkt s TYR 59 Ca 0.03 -1.44 -0.10 0.00 -2.44 0.00 0.00 57.07 53.12 1pkt s TYR 59 Cb 0.00 -2.01 0.05 0.00 0.35 0.00 0.00 41.96 40.35 1pkt s TYR 59 CO 0.02 -0.71 2.40 0.09 -1.34 0.00 0.00 175.55 176.00 1pkt n ASN 60 N 4.68 6.53 -0.53 4.32 3.02 -0.08 -1.50 115.26 131.70 1pkt n ASN 60 Ca -0.19 -2.89 0.45 0.00 -0.03 0.00 0.00 54.58 51.91 1pkt n ASN 60 Cb 0.49 -1.52 0.78 0.00 -0.61 0.00 0.00 39.78 38.92 1pkt n ASN 60 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1pkt h GLU 61 N 5.33 0.01 -0.32 3.52 4.11 -1.75 0.24 114.58 125.72 1pkt h GLU 61 Ca 0.65 -0.00 0.07 0.00 0.07 0.00 0.00 59.36 60.15 1pkt h GLU 61 Cb 0.46 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 1pkt h GLU 61 CO 1.71 0.01 -0.32 1.15 0.07 0.00 0.00 179.01 181.63 1pkt h THR 62 N 0.01 0.26 -0.66 -1.06 2.02 -1.85 -0.99 112.91 110.65 1pkt h THR 62 Ca 0.78 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.96 1pkt h THR 62 Cb 3.05 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 1pkt h THR 62 CO -0.04 0.00 0.00 1.07 0.37 0.00 0.00 175.52 176.92 1pkt n THR 63 N -5.41 1.16 -3.54 3.16 5.66 0.58 -4.95 114.28 110.95 1pkt n THR 63 Ca -0.00 -1.05 -0.20 0.00 -3.05 0.00 0.00 64.05 59.75 1pkt n THR 63 Cb 0.33 0.43 0.08 0.00 -1.55 0.00 0.00 70.33 69.61 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 1.38 -0.40 3.61 1.09 0.00 0.23 -5.00 105.19 106.10 1pkt n GLY 64 Ca 0.23 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 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 -5.75 2.05 -0.27 1.61 0.41 -1.04 -4.96 118.70 110.75 1pkt s GLU 65 Ca 0.17 -2.28 -0.23 0.00 -0.41 0.00 0.00 54.97 52.23 1pkt s GLU 65 Cb -0.08 -0.96 0.07 0.00 -1.78 0.00 0.00 34.13 31.39 1pkt s GLU 65 CO 0.75 -0.44 0.70 0.50 -0.49 0.00 0.00 175.26 176.28 1pkt s ARG 66 N -3.76 0.81 0.00 1.61 3.52 -1.26 -0.90 118.95 118.96 1pkt s ARG 66 Ca 0.16 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.78 1pkt s ARG 66 Cb 0.02 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.77 1pkt s ARG 66 CO 0.10 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.90 1pkt n GLY 67 N 2.94 -0.69 3.97 8.12 0.00 -1.05 -4.78 105.19 113.69 1pkt n GLY 67 Ca -0.15 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 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 5.60 -0.08 1.61 1.01 -1.05 -1.98 116.67 117.78 1pkt s ASP 68 Ca 0.00 0.02 -0.31 0.00 0.71 0.00 0.00 52.55 52.97 1pkt s ASP 68 Cb 0.00 -1.12 0.12 0.00 1.01 0.00 0.00 42.92 42.93 1pkt s ASP 68 CO 0.00 -0.86 1.00 0.72 0.21 0.00 0.00 175.17 176.24 1pkt s PHE 69 N -2.57 -0.28 0.11 4.23 -0.71 -0.44 -2.33 117.98 115.98 1pkt s PHE 69 Ca 0.52 0.21 -0.31 0.00 -1.04 0.00 0.00 56.93 56.32 1pkt s PHE 69 Cb -0.10 0.52 -0.10 0.00 -1.21 0.00 0.00 43.02 42.14 1pkt s PHE 69 CO 0.37 -0.42 1.76 -1.25 -1.34 0.00 0.00 175.22 174.33 1pkt s PRO 70 N -2.69 4.16 0.35 1.99 0.05 -1.26 -1.67 135.00 135.93 1pkt s PRO 70 Ca 0.06 2.49 0.18 0.00 0.05 0.00 0.00 61.00 63.77 1pkt s PRO 70 Cb -0.01 -3.58 0.56 0.00 0.05 0.00 0.00 34.50 31.53 1pkt s PRO 70 CO -0.07 -0.80 1.68 0.78 0.05 0.00 0.00 177.00 178.65 1pkt h GLY 71 N 8.52 0.00 1.74 0.56 0.00 -1.62 -2.63 103.07 109.64 1pkt h GLY 71 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1pkt h GLY 71 CO 0.94 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 176.18 1pkt n THR 72 N -3.50 0.77 1.03 4.70 -2.24 -1.26 -1.67 114.28 112.11 1pkt n THR 72 Ca -0.00 0.19 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 1pkt n THR 72 Cb 0.55 -0.95 0.11 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.37 0.00 -4.45 4.78 4.02 -0.99 -4.86 117.16 114.30 1pkt n TYR 73 Ca 0.05 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.73 1pkt n TYR 73 Cb 0.14 -0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.35 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 1.71 -0.17 -0.72 -7.23 -0.67 0.20 120.40 111.44 1pkt s VAL 74 Ca 0.27 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.26 1pkt s VAL 74 Cb 0.20 -2.49 0.06 0.00 0.56 0.00 0.00 36.38 34.71 1pkt s VAL 74 CO 0.34 -0.28 0.09 -1.83 -0.31 0.00 0.00 175.10 173.12 1pkt s GLU 75 N -3.72 0.09 -0.44 4.82 -1.05 -0.68 -4.33 118.70 113.39 1pkt s GLU 75 Ca 0.30 -0.11 -0.40 0.00 -0.15 0.00 0.00 54.97 54.62 1pkt s GLU 75 Cb 0.04 -1.82 -0.17 0.00 -0.44 0.00 0.00 34.13 31.73 1pkt s GLU 75 CO 0.13 -0.68 1.72 0.98 0.95 0.00 0.00 175.26 178.36 1pkt n TYR 76 N 5.27 1.20 -0.26 4.83 9.36 -1.26 -2.21 117.16 134.09 1pkt n TYR 76 Ca -0.07 0.79 0.09 0.00 3.32 0.00 0.00 57.90 62.03 1pkt n TYR 76 Cb 0.49 -1.99 0.24 0.00 -0.63 0.00 0.00 39.34 37.45 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 4.96 0.98 0.00 2.97 -0.00 -0.62 -4.89 119.36 122.76 1pkt n ILE 77 Ca 0.41 -0.99 0.00 0.00 -0.00 0.00 0.00 62.75 62.17 1pkt n ILE 77 Cb -0.04 0.52 0.00 0.00 -0.00 0.00 0.00 39.64 40.12 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 1.13 0.13 0.80 7.39 0.00 -1.21 -5.02 105.19 108.41 1pkt n GLY 78 Ca 0.18 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.48 1pkt n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86