#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 0.55 3.58 0.62 0.00 -1.26 -4.51 105.19 104.17 1pkt n GLY 5 Ca 0.00 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.83 2.62 -0.20 1.61 2.02 0.17 -4.69 117.35 118.05 1pkt s TYR 6 Ca 0.00 0.43 -0.08 0.00 -0.37 0.00 0.00 57.07 57.05 1pkt s TYR 6 Cb 0.00 -4.51 -0.04 0.00 -0.40 0.00 0.00 41.96 37.00 1pkt s TYR 6 CO 0.00 -1.57 0.09 -0.65 -1.57 0.00 0.00 175.55 171.85 1pkt s GLN 7 N 4.93 4.00 0.46 -0.62 -0.21 -0.99 -1.08 119.66 126.16 1pkt s GLN 7 Ca 0.43 -0.32 0.07 0.00 0.02 0.00 0.00 55.36 55.56 1pkt s GLN 7 Cb -0.07 -3.32 -0.01 0.00 1.00 0.00 0.00 33.01 30.60 1pkt s GLN 7 CO 0.26 0.19 0.32 0.71 -2.12 0.00 0.00 175.29 174.65 1pkt s TYR 8 N 0.62 2.28 -0.01 0.91 2.02 -0.44 0.10 117.35 122.83 1pkt s TYR 8 Ca 0.05 -0.65 0.04 0.00 -0.37 0.00 0.00 57.07 56.14 1pkt s TYR 8 Cb -0.13 -2.01 -0.03 0.00 -0.40 0.00 0.00 41.96 39.40 1pkt s TYR 8 CO 0.01 -0.15 -0.13 0.50 -1.57 0.00 0.00 175.55 174.21 1pkt s ARG 9 N -4.11 2.41 0.63 -0.62 6.06 -0.97 -1.76 118.95 120.58 1pkt s ARG 9 Ca 0.40 -0.77 -0.18 0.00 -2.50 0.00 0.00 55.73 52.68 1pkt s ARG 9 Cb -0.01 -2.36 -0.02 0.00 0.06 0.00 0.00 34.95 32.63 1pkt s ARG 9 CO 0.23 0.60 1.20 0.00 -2.50 0.00 0.00 175.30 174.83 1pkt s ALA 10 N -0.84 2.45 0.00 6.12 0.00 -0.75 -1.20 121.76 127.52 1pkt s ALA 10 Ca 0.14 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1pkt s ALA 10 Cb -0.11 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1pkt s ALA 10 CO 0.03 -1.33 0.00 1.28 0.00 0.00 0.00 175.76 175.74 1pkt n LEU 11 N -1.90 0.71 0.00 0.00 4.77 0.13 -3.54 117.00 117.16 1pkt n LEU 11 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1pkt n LEU 11 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1pkt n LEU 11 CO 0.45 0.05 0.00 -1.22 -1.33 0.00 0.00 177.39 175.35 1pkt n TYR 12 N -1.94 0.00 -4.14 -1.77 4.02 -1.07 -4.47 117.16 107.79 1pkt n TYR 12 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1pkt n TYR 12 Cb 0.14 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.39 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 0.88 0.58 -0.28 7.72 1.47 -1.26 0.11 116.67 125.89 1pkt s ASP 13 Ca 0.00 -1.38 -0.26 0.00 1.18 0.00 0.00 52.55 52.09 1pkt s ASP 13 Cb 0.00 0.53 0.16 0.00 -0.34 0.00 0.00 42.92 43.27 1pkt s ASP 13 CO 0.00 -1.07 1.24 -0.47 0.68 0.00 0.00 175.17 175.55 1pkt s TYR 14 N -3.70 -0.25 -0.16 2.11 5.04 0.32 -4.88 117.35 115.83 1pkt s TYR 14 Ca 0.33 0.58 -0.08 0.00 -2.44 0.00 0.00 57.07 55.47 1pkt s TYR 14 Cb 0.02 0.43 -0.04 0.00 0.35 0.00 0.00 41.96 42.73 1pkt s TYR 14 CO 0.16 -0.13 0.10 0.15 -1.34 0.00 0.00 175.55 174.49 1pkt s LYS 15 N -0.06 3.81 -0.84 4.97 1.02 -1.26 -1.78 119.74 125.61 1pkt s LYS 15 Ca 0.05 -0.26 -0.25 0.00 0.02 0.00 0.00 55.97 55.53 1pkt s LYS 15 Cb -0.04 -3.23 -0.16 0.00 -0.52 0.00 0.00 37.83 33.87 1pkt s LYS 15 CO -0.10 0.45 2.34 1.17 -0.92 0.00 0.00 175.35 178.29 1pkt n LYS 16 N 3.01 0.45 0.00 1.68 4.81 -1.22 -4.71 118.16 122.18 1pkt n LYS 16 Ca -0.17 -0.93 0.00 0.00 -0.87 0.00 0.00 58.31 56.34 1pkt n LYS 16 Cb 0.53 -3.56 0.00 0.00 0.02 0.00 0.00 35.03 32.02 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 8.48 0.00 -0.99 1.64 2.13 -1.26 -4.93 120.64 125.70 1pkt n GLU 17 Ca 0.47 0.16 -0.32 0.00 0.66 0.00 0.00 57.16 58.13 1pkt n GLU 17 Cb 0.42 -0.58 0.14 0.00 0.27 0.00 0.00 31.44 31.69 1pkt n GLU 17 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1pkt s ARG 18 N -0.66 1.49 0.00 5.31 0.52 -1.26 -4.85 118.95 119.50 1pkt s ARG 18 Ca 0.00 1.61 0.19 0.00 -0.52 0.00 0.00 55.73 57.01 1pkt s ARG 18 Cb 0.00 -1.77 1.13 0.00 0.52 0.00 0.00 34.95 34.83 1pkt s ARG 18 CO 0.00 -2.29 1.57 -1.91 0.02 0.00 0.00 175.30 172.69 1pkt n GLU 19 N -3.66 0.74 0.00 3.54 4.07 -1.26 -2.50 120.64 121.57 1pkt n GLU 19 Ca 0.12 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.27 1pkt n GLU 19 Cb 0.51 -1.40 0.03 0.00 -0.06 0.00 0.00 31.44 30.52 1pkt n GLU 19 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1pkt n GLU 20 N -0.90 0.81 -4.08 5.31 2.13 -1.26 -5.00 120.64 117.65 1pkt n GLU 20 Ca 0.14 -1.00 -0.23 0.00 0.66 0.00 0.00 57.16 56.74 1pkt n GLU 20 Cb 0.07 -1.17 -0.06 0.00 0.27 0.00 0.00 31.44 30.55 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 -0.97 4.76 0.05 4.31 1.47 -1.04 -2.23 116.67 123.01 1pkt s ASP 21 Ca 0.11 -0.72 0.00 0.00 1.18 0.00 0.00 52.55 53.12 1pkt s ASP 21 Cb 0.08 -0.78 -0.00 0.00 -0.34 0.00 0.00 42.92 41.89 1pkt s ASP 21 CO 0.16 -0.28 0.01 2.30 0.68 0.00 0.00 175.17 178.04 1pkt n ILE 22 N -1.16 0.00 -2.99 2.11 -5.35 -0.84 -4.69 119.36 106.44 1pkt n ILE 22 Ca -0.03 -0.24 -0.40 0.00 -0.27 0.00 0.00 62.75 61.81 1pkt n ILE 22 Cb 0.61 0.07 -0.05 0.00 -1.74 0.00 0.00 39.64 38.53 1pkt n ILE 22 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1pkt s ASP 23 N -1.26 7.20 -0.02 7.28 1.11 -1.26 -3.39 116.67 126.32 1pkt s ASP 23 Ca 0.01 1.43 0.04 0.00 0.18 0.00 0.00 52.55 54.22 1pkt s ASP 23 Cb 0.00 -2.46 -0.01 0.00 1.07 0.00 0.00 42.92 41.52 1pkt s ASP 23 CO 0.01 0.02 -0.15 -0.76 1.18 0.00 0.00 175.17 175.46 1pkt s LEU 24 N -0.05 1.97 -0.18 1.23 2.01 -0.74 -4.94 118.68 117.99 1pkt s LEU 24 Ca 0.38 -0.29 -0.16 0.00 0.01 0.00 0.00 54.13 54.08 1pkt s LEU 24 Cb -0.20 -0.81 0.05 0.00 0.01 0.00 0.00 46.19 45.24 1pkt s LEU 24 CO 0.23 0.16 0.48 -1.00 1.01 0.00 0.00 176.35 177.23 1pkt s HIS 25 N -0.19 -0.55 0.54 0.29 3.76 -1.25 -0.52 115.29 117.36 1pkt s HIS 25 Ca 0.02 1.32 -0.20 0.00 -0.15 0.00 0.00 55.06 56.05 1pkt s HIS 25 Cb -0.08 0.20 -0.07 0.00 1.11 0.00 0.00 32.58 33.75 1pkt s HIS 25 CO 0.00 -0.27 0.97 -0.11 -0.85 0.00 0.00 174.74 174.48 1pkt n LEU 26 N 3.00 3.23 0.00 0.89 0.00 0.31 -1.96 117.00 122.47 1pkt n LEU 26 Ca -0.15 0.88 0.00 0.00 0.00 0.00 0.00 56.01 56.75 1pkt n LEU 26 Cb 0.57 -1.37 0.00 0.00 0.00 0.00 0.00 43.42 42.61 1pkt n LEU 26 CO 0.10 -1.75 0.00 0.61 0.00 0.00 0.00 177.39 176.35 1pkt n GLY 27 N 1.26 1.40 3.97 -3.96 0.00 -1.23 -4.90 105.19 101.72 1pkt n GLY 27 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.94 3.76 -0.01 1.61 1.11 -0.83 -4.84 116.67 114.54 1pkt s ASP 28 Ca 0.00 -0.09 0.04 0.00 0.18 0.00 0.00 52.55 52.68 1pkt s ASP 28 Cb 0.00 -0.12 -0.01 0.00 1.07 0.00 0.00 42.92 43.86 1pkt s ASP 28 CO 0.00 -2.28 -0.14 -0.63 1.18 0.00 0.00 175.17 173.31 1pkt s ILE 29 N -3.49 1.08 -0.09 0.77 -1.09 -1.26 -1.82 121.20 115.30 1pkt s ILE 29 Ca 0.70 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 58.56 1pkt s ILE 29 Cb -0.04 -0.90 0.00 0.00 -1.58 0.00 0.00 42.46 39.93 1pkt s ILE 29 CO 0.48 0.29 -0.22 -0.76 -1.23 0.00 0.00 174.94 173.50 1pkt s LEU 30 N -0.36 2.02 -0.63 2.97 1.02 -0.73 -2.34 118.68 120.64 1pkt s LEU 30 Ca 0.05 -0.52 -0.08 0.00 0.02 0.00 0.00 54.13 53.60 1pkt s LEU 30 Cb -0.05 -1.31 0.16 0.00 0.02 0.00 0.00 46.19 45.00 1pkt s LEU 30 CO -0.00 0.14 0.50 -0.89 0.02 0.00 0.00 176.35 176.11 1pkt s THR 31 N 0.38 4.42 -0.34 5.49 2.01 -0.46 -1.32 115.64 125.83 1pkt s THR 31 Ca -0.18 -2.40 -0.12 0.00 0.31 0.00 0.00 61.69 59.30 1pkt s THR 31 Cb -0.18 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1pkt s THR 31 CO 0.08 -0.88 0.22 -0.69 -0.69 0.00 0.00 174.62 172.66 1pkt s VAL 32 N 0.51 5.11 0.82 3.82 1.01 -0.24 -1.51 120.40 129.93 1pkt s VAL 32 Ca 0.13 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 1pkt s VAL 32 Cb -0.20 -3.64 0.08 0.00 0.00 0.00 0.00 36.38 32.63 1pkt s VAL 32 CO -0.04 -0.01 1.10 0.21 0.00 0.00 0.00 175.10 176.36 1pkt s ASN 33 N 1.69 4.08 0.00 3.32 3.84 -1.26 0.44 114.94 127.05 1pkt s ASN 33 Ca 0.06 1.81 0.22 0.00 0.21 0.00 0.00 52.86 55.15 1pkt s ASN 33 Cb -0.17 -2.47 1.28 0.00 -0.55 0.00 0.00 41.25 39.34 1pkt s ASN 33 CO 0.09 -2.30 1.77 0.29 -2.79 0.00 0.00 177.10 174.16 1pkt n LYS 34 N -3.69 0.90 -0.03 0.43 5.02 -1.26 -3.38 118.16 116.14 1pkt n LYS 34 Ca 0.09 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.31 1pkt n LYS 34 Cb 0.53 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 34.15 1pkt n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pkt n GLY 35 N 0.70 -0.10 0.36 0.72 0.00 -1.26 -4.04 105.19 101.57 1pkt n GLY 35 Ca 0.16 -0.03 0.19 0.00 0.00 0.00 0.00 46.02 46.34 1pkt n GLY 35 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1pkt h SER 36 N -0.21 0.00 0.34 1.61 0.87 -1.92 0.06 113.55 114.29 1pkt h SER 36 Ca -0.16 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.08 1pkt h SER 36 Cb 1.14 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.06 1pkt h SER 36 CO -0.09 0.00 -1.84 -0.11 -0.53 0.00 0.00 176.83 174.26 1pkt n LEU 37 N -3.76 1.59 -0.04 2.23 0.00 -1.22 -3.83 117.00 111.97 1pkt n LEU 37 Ca 0.04 0.33 0.12 0.00 0.00 0.00 0.00 56.01 56.50 1pkt n LEU 37 Cb 0.47 -0.35 0.71 0.00 0.00 0.00 0.00 43.42 44.25 1pkt n LEU 37 CO 0.27 0.58 0.96 0.52 0.00 0.00 0.00 177.39 179.72 1pkt n VAL 38 N -3.22 0.01 1.55 1.96 0.31 -0.16 -3.49 118.33 115.29 1pkt n VAL 38 Ca -0.23 -0.02 0.07 0.00 -0.01 0.00 0.00 64.34 64.15 1pkt n VAL 38 Cb 1.05 -0.32 0.43 0.00 -0.91 0.00 0.00 33.84 34.08 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 -0.80 2.36 0.13 3.52 0.00 -0.21 -2.56 120.51 122.95 1pkt n ALA 39 Ca 0.18 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.59 1pkt n ALA 39 Cb 0.10 -1.23 0.09 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.79 2.37 -0.07 0.00 4.77 -1.23 -4.95 117.00 117.09 1pkt n LEU 40 Ca 0.11 -1.51 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 1pkt n LEU 40 Cb 0.05 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1pkt n LEU 40 CO 0.08 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1pkt n GLY 41 N 0.51 1.24 0.00 -0.72 0.00 -1.06 -5.09 105.19 100.08 1pkt n GLY 41 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.54 -2.87 -3.81 1.61 3.01 -1.25 -5.00 117.46 107.61 1pkt n PHE 42 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 1pkt n PHE 42 Cb 0.17 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.51 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 -1.51 3.91 0.00 4.37 0.01 -1.26 -5.02 113.70 114.21 1pkt s SER 43 Ca 0.00 -2.76 0.00 0.00 1.31 0.00 0.00 55.95 54.50 1pkt s SER 43 Cb 0.00 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 64.96 1pkt s SER 43 CO 0.00 -0.26 0.00 -0.90 0.41 0.00 0.00 173.24 172.49 1pkt n ASP 44 N 3.39 0.00 0.00 2.44 5.75 -1.26 -1.33 116.55 125.55 1pkt n ASP 44 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1pkt n ASP 44 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1pkt n ASP 44 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pkt n GLY 45 N 0.00 0.77 0.03 6.12 0.00 -1.26 -4.96 105.19 105.88 1pkt n GLY 45 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1pkt n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pkt n GLN 46 N 0.00 0.15 -0.34 1.61 -0.00 -0.44 -4.17 117.38 114.19 1pkt n GLN 46 Ca 0.00 0.03 0.27 0.00 -0.00 0.00 0.00 57.00 57.29 1pkt n GLN 46 Cb 0.00 -1.58 0.52 0.00 -0.00 0.00 0.00 30.24 29.18 1pkt n GLN 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1pkt h GLU 47 N 0.00 0.22 -1.75 2.61 4.57 -1.93 0.73 114.58 119.03 1pkt h GLU 47 Ca 0.00 -0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 57.96 1pkt h GLU 47 Cb 0.62 -0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 29.07 1pkt h GLU 47 CO 0.00 0.14 0.22 0.00 -1.18 0.00 0.00 179.01 178.20 1pkt n ALA 48 N -2.29 4.82 -3.00 2.92 0.00 -1.26 -4.17 120.51 117.53 1pkt n ALA 48 Ca 0.34 -1.11 -0.14 0.00 0.00 0.00 0.00 53.44 52.52 1pkt n ALA 48 Cb 1.09 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 19.24 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 0.90 0.98 -0.30 0.00 3.00 0.25 -4.90 116.66 116.60 1pkt n ARG 49 Ca 0.20 -2.79 -0.02 0.00 -0.00 0.00 0.00 57.85 55.24 1pkt n ARG 49 Cb 0.56 -1.43 0.10 0.00 0.00 0.00 0.00 32.46 31.69 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 3.03 1.02 0.00 -0.14 0.11 -1.77 0.22 132.00 134.47 1pkt h PRO 50 Ca 0.02 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1pkt h PRO 50 Cb 1.02 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1pkt h PRO 50 CO 0.35 0.67 0.12 1.05 -0.21 0.00 0.00 178.00 179.99 1pkt h GLU 51 N 1.05 0.00 0.00 1.05 4.11 -1.88 -0.56 114.58 118.36 1pkt h GLU 51 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 1pkt h GLU 51 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1pkt h GLU 51 CO -0.10 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.37 1pkt n GLU 52 N -2.44 3.59 0.10 1.06 1.02 -0.35 -4.64 120.64 118.96 1pkt n GLU 52 Ca -0.02 -0.21 -0.14 0.00 -0.02 0.00 0.00 57.16 56.77 1pkt n GLU 52 Cb 0.16 -0.71 -0.13 0.00 -0.02 0.00 0.00 31.44 30.75 1pkt n GLU 52 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1pkt h ILE 53 N 0.00 1.53 0.00 -3.67 2.04 0.10 -3.48 117.51 114.03 1pkt h ILE 53 Ca 0.00 -3.06 0.00 0.00 1.00 0.00 0.00 64.86 62.80 1pkt h ILE 53 Cb 0.00 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1pkt h ILE 53 CO 0.00 0.89 0.00 0.61 0.00 0.00 0.00 178.15 179.65 1pkt n GLY 54 N 1.45 1.86 2.79 5.37 0.00 -1.12 -4.89 105.19 110.65 1pkt n GLY 54 Ca -0.07 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.05 0.21 1.61 0.52 -1.26 -1.80 118.94 118.17 1pkt s TRP 55 Ca 0.00 0.35 0.09 0.00 0.02 0.00 0.00 56.10 56.56 1pkt s TRP 55 Cb 0.00 -0.28 -0.04 0.00 -1.15 0.00 0.00 33.47 32.00 1pkt s TRP 55 CO 0.00 -0.18 -0.06 -0.51 0.02 0.00 0.00 176.95 176.22 1pkt s LEU 56 N 1.68 3.06 -0.34 2.99 1.02 -0.71 -4.83 118.68 121.54 1pkt s LEU 56 Ca -0.02 -0.60 -0.03 0.00 0.02 0.00 0.00 54.13 53.50 1pkt s LEU 56 Cb -0.12 -1.68 0.07 0.00 0.02 0.00 0.00 46.19 44.47 1pkt s LEU 56 CO -0.04 0.07 0.09 0.21 0.02 0.00 0.00 176.35 176.69 1pkt s ASN 57 N -3.14 5.10 0.00 2.29 3.04 -1.26 -1.14 114.94 119.83 1pkt s ASN 57 Ca 0.27 -1.47 0.00 0.00 0.04 0.00 0.00 52.86 51.70 1pkt s ASN 57 Cb -0.08 -1.78 0.00 0.00 -1.54 0.00 0.00 41.25 37.85 1pkt s ASN 57 CO 0.17 -0.36 0.00 0.61 -3.04 0.00 0.00 177.10 174.48 1pkt n GLY 58 N 4.66 6.29 2.95 1.21 0.00 -0.73 -4.58 105.19 115.00 1pkt n GLY 58 Ca -0.10 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 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 0.15 2.58 -0.99 1.61 5.04 -0.57 -2.59 117.35 122.59 1pkt s TYR 59 Ca 0.00 -1.93 -0.23 0.00 -2.44 0.00 0.00 57.07 52.47 1pkt s TYR 59 Cb 0.00 -1.74 0.04 0.00 0.35 0.00 0.00 41.96 40.62 1pkt s TYR 59 CO 0.00 -0.81 1.47 -0.80 -1.34 0.00 0.00 175.55 174.07 1pkt s ASN 60 N 1.33 6.39 0.33 4.32 0.01 -0.24 -1.35 114.94 125.73 1pkt s ASN 60 Ca -0.04 -1.32 0.06 0.00 -0.71 0.00 0.00 52.86 50.84 1pkt s ASN 60 Cb -0.19 -2.57 0.71 0.00 0.41 0.00 0.00 41.25 39.61 1pkt s ASN 60 CO -0.07 -1.61 1.88 -0.08 -1.51 0.00 0.00 177.10 175.71 1pkt h GLU 61 N 9.92 0.79 -0.50 -0.60 4.81 -1.72 0.78 114.58 128.07 1pkt h GLU 61 Ca 0.15 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1pkt h GLU 61 Cb 1.01 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 1pkt h GLU 61 CO 1.41 0.53 0.26 1.15 -0.73 0.00 0.00 179.01 181.62 1pkt h THR 62 N 0.82 0.97 -0.26 0.32 2.02 -1.88 -0.95 112.91 113.95 1pkt h THR 62 Ca 0.44 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.44 1pkt h THR 62 Cb 0.54 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1pkt h THR 62 CO -0.20 0.09 0.00 0.35 0.37 0.00 0.00 175.52 176.13 1pkt n THR 63 N -4.87 0.34 -4.14 3.16 -2.24 -0.38 -4.93 114.28 101.21 1pkt n THR 63 Ca 0.04 -0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 61.02 1pkt n THR 63 Cb 0.12 0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 68.92 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 1.28 -0.21 3.17 3.38 0.00 0.26 -4.93 105.19 108.14 1pkt n GLY 64 Ca 0.17 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 -6.93 0.99 -0.00 1.61 0.41 -1.01 -5.00 118.70 108.77 1pkt s GLU 65 Ca 0.10 -1.47 0.02 0.00 -0.41 0.00 0.00 54.97 53.21 1pkt s GLU 65 Cb -0.05 0.25 -0.01 0.00 -1.78 0.00 0.00 34.13 32.54 1pkt s GLU 65 CO 0.94 -0.29 -0.08 0.50 -0.49 0.00 0.00 175.26 175.84 1pkt s ARG 66 N -4.07 0.62 0.00 1.61 3.52 -1.26 -1.08 118.95 118.29 1pkt s ARG 66 Ca 0.27 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 1pkt s ARG 66 Cb 0.07 -0.59 0.00 0.00 -1.56 0.00 0.00 34.95 32.87 1pkt s ARG 66 CO 0.04 0.16 0.00 0.41 -0.81 0.00 0.00 175.30 175.10 1pkt n GLY 67 N 2.76 -0.78 3.98 8.12 0.00 -1.07 -4.90 105.19 113.31 1pkt n GLY 67 Ca -0.14 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 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 5.25 -0.14 1.61 1.01 -0.95 -1.77 116.67 117.68 1pkt s ASP 68 Ca 0.00 -0.11 -0.33 0.00 0.71 0.00 0.00 52.55 52.82 1pkt s ASP 68 Cb 0.00 -0.75 0.13 0.00 1.01 0.00 0.00 42.92 43.31 1pkt s ASP 68 CO 0.00 -1.15 1.12 0.72 0.21 0.00 0.00 175.17 176.06 1pkt s PHE 69 N -2.74 -0.20 0.03 4.23 -0.71 -0.29 -1.99 117.98 116.31 1pkt s PHE 69 Ca 0.58 0.16 -0.31 0.00 -1.04 0.00 0.00 56.93 56.32 1pkt s PHE 69 Cb -0.10 0.51 -0.10 0.00 -1.21 0.00 0.00 43.02 42.13 1pkt s PHE 69 CO 0.38 -0.29 1.92 -2.30 -1.34 0.00 0.00 175.22 173.59 1pkt n PRO 70 N -0.03 2.71 0.05 1.99 -0.02 -1.26 -1.74 135.00 136.70 1pkt n PRO 70 Ca -0.03 0.99 -0.08 0.00 -2.02 0.00 0.00 63.50 62.37 1pkt n PRO 70 Cb 0.59 -2.91 0.08 0.00 -0.02 0.00 0.00 33.50 31.24 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 9.79 0.41 1.90 -1.23 0.00 -1.53 -2.51 103.07 109.90 1pkt h GLY 71 Ca -0.49 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.33 1pkt h GLY 71 CO 0.94 0.46 0.00 -1.30 0.00 0.00 0.00 176.54 176.64 1pkt n THR 72 N -3.89 1.23 0.20 4.70 -2.24 -1.21 -1.33 114.28 111.74 1pkt n THR 72 Ca -0.03 0.31 0.09 0.00 -2.27 0.00 0.00 64.05 62.15 1pkt n THR 72 Cb 0.63 -1.15 0.26 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.45 0.74 -4.25 4.78 4.02 -0.94 -4.85 117.16 115.21 1pkt n TYR 73 Ca 0.03 -0.37 -0.12 0.00 -0.01 0.00 0.00 57.90 57.43 1pkt n TYR 73 Cb 0.10 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.39 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 1.18 0.00 -3.19 -0.72 0.24 -0.44 -0.69 118.33 114.71 1pkt n VAL 74 Ca 0.19 -1.05 0.02 0.00 -2.04 0.00 0.00 64.34 61.46 1pkt n VAL 74 Cb 0.49 0.34 -0.01 0.00 -1.47 0.00 0.00 33.84 33.19 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 -2.72 0.74 -0.33 7.34 -1.05 -0.35 -4.77 118.70 117.57 1pkt s GLU 75 Ca 0.07 -0.04 -0.30 0.00 -0.15 0.00 0.00 54.97 54.55 1pkt s GLU 75 Cb 0.00 0.14 -0.13 0.00 -0.44 0.00 0.00 34.13 33.70 1pkt s GLU 75 CO 0.05 -1.14 1.20 0.98 0.95 0.00 0.00 175.26 177.30 1pkt n TYR 76 N 4.69 1.00 -1.69 4.83 4.19 -1.26 -2.30 117.16 126.62 1pkt n TYR 76 Ca 0.09 0.65 0.00 0.00 3.31 0.00 0.00 57.90 61.96 1pkt n TYR 76 Cb 0.56 -1.49 0.00 0.00 0.49 0.00 0.00 39.34 38.91 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 3.32 0.00 -3.88 2.97 2.08 -0.97 -4.83 119.36 118.04 1pkt n ILE 77 Ca 0.27 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.30 1pkt n ILE 77 Cb -0.03 0.55 -0.16 0.00 -0.75 0.00 0.00 39.64 39.25 1pkt n ILE 77 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1pkt s GLY 78 N -0.48 0.94 0.00 7.39 0.00 0.28 -4.94 107.32 110.51 1pkt s GLY 78 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1pkt s GLY 78 CO 0.00 0.96 0.27 -2.13 0.00 0.00 0.00 173.10 172.20