#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 3.08 3.68 -1.84 0.00 -1.26 -4.26 105.19 104.58 1pkt n GLY 5 Ca 0.00 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.00 3.45 -0.24 1.61 2.02 0.11 -4.50 117.35 117.79 1pkt s TYR 6 Ca 0.00 1.49 -0.01 0.00 -0.37 0.00 0.00 57.07 58.18 1pkt s TYR 6 Cb 0.00 -3.17 0.02 0.00 -0.40 0.00 0.00 41.96 38.41 1pkt s TYR 6 CO 0.00 -0.29 -0.07 -0.65 -1.57 0.00 0.00 175.55 172.97 1pkt s GLN 7 N 2.33 2.85 0.51 -0.62 -0.21 -1.05 -0.75 119.66 122.72 1pkt s GLN 7 Ca 0.45 -0.96 0.08 0.00 0.02 0.00 0.00 55.36 54.95 1pkt s GLN 7 Cb -0.17 -2.95 0.04 0.00 1.00 0.00 0.00 33.01 30.92 1pkt s GLN 7 CO 0.14 -0.38 0.54 0.71 -2.12 0.00 0.00 175.29 174.18 1pkt s TYR 8 N 1.32 1.94 0.48 0.91 2.02 -0.80 -2.31 117.35 120.92 1pkt s TYR 8 Ca 0.01 -0.67 0.06 0.00 -0.37 0.00 0.00 57.07 56.09 1pkt s TYR 8 Cb -0.16 -2.12 -0.01 0.00 -0.40 0.00 0.00 41.96 39.27 1pkt s TYR 8 CO -0.05 -0.60 0.26 0.50 -1.57 0.00 0.00 175.55 174.09 1pkt s ARG 9 N -4.37 2.26 0.28 -0.62 3.52 -0.94 -1.80 118.95 117.28 1pkt s ARG 9 Ca 0.49 -1.96 -0.08 0.00 -0.13 0.00 0.00 55.73 54.05 1pkt s ARG 9 Cb -0.04 -2.00 -0.06 0.00 -1.56 0.00 0.00 34.95 31.28 1pkt s ARG 9 CO 0.30 -0.35 0.59 0.00 -0.81 0.00 0.00 175.30 175.04 1pkt s ALA 10 N -2.69 3.54 0.00 6.12 0.00 0.17 -1.52 121.76 127.38 1pkt s ALA 10 Ca 0.34 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1pkt s ALA 10 Cb 0.01 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1pkt s ALA 10 CO 0.20 0.32 0.00 1.28 0.00 0.00 0.00 175.76 177.56 1pkt n LEU 11 N -0.62 0.28 -4.66 0.00 4.77 0.13 -4.08 117.00 112.83 1pkt n LEU 11 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 1pkt n LEU 11 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 1pkt n LEU 11 CO 0.46 0.05 -0.25 -0.31 -1.33 0.00 0.00 177.39 176.01 1pkt s TYR 12 N -1.11 1.98 0.45 -1.77 1.51 -1.00 -4.53 117.35 112.88 1pkt s TYR 12 Ca 0.00 -0.97 0.08 0.00 -1.01 0.00 0.00 57.07 55.17 1pkt s TYR 12 Cb 0.00 -1.52 0.02 0.00 -0.11 0.00 0.00 41.96 40.36 1pkt s TYR 12 CO 0.00 0.14 0.60 0.16 -1.11 0.00 0.00 175.55 175.34 1pkt s ASP 13 N -3.76 5.49 -0.14 2.29 -4.77 -1.26 -2.98 116.67 111.55 1pkt s ASP 13 Ca 0.18 -0.54 -0.29 0.00 -3.30 0.00 0.00 52.55 48.60 1pkt s ASP 13 Cb 0.04 -0.44 0.08 0.00 -1.09 0.00 0.00 42.92 41.51 1pkt s ASP 13 CO 0.09 -0.88 0.77 -0.47 0.70 0.00 0.00 175.17 175.38 1pkt s TYR 14 N -2.43 -0.63 -0.40 2.11 5.04 -0.27 -4.82 117.35 115.95 1pkt s TYR 14 Ca 0.56 1.25 0.16 0.00 -2.44 0.00 0.00 57.07 56.60 1pkt s TYR 14 Cb -0.09 0.38 0.57 0.00 0.35 0.00 0.00 41.96 43.17 1pkt s TYR 14 CO 0.34 -0.48 1.48 1.17 -1.34 0.00 0.00 175.55 176.71 1pkt n LYS 15 N 1.42 3.35 -3.05 4.97 4.81 -1.26 -1.79 118.16 126.61 1pkt n LYS 15 Ca -0.16 -2.79 -0.02 0.00 -0.87 0.00 0.00 58.31 54.47 1pkt n LYS 15 Cb 0.57 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.78 1pkt n LYS 15 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1pkt n LYS 16 N 0.01 -1.45 0.00 1.64 4.81 -1.25 -4.75 118.16 117.17 1pkt n LYS 16 Ca 0.22 1.55 0.00 0.00 -0.87 0.00 0.00 58.31 59.21 1pkt n LYS 16 Cb 0.88 -5.67 0.00 0.00 0.02 0.00 0.00 35.03 30.26 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 -1.62 0.00 -1.63 1.64 4.07 -1.26 -4.77 120.64 117.06 1pkt n GLU 17 Ca 0.01 0.33 -0.41 0.00 -0.06 0.00 0.00 57.16 57.03 1pkt n GLU 17 Cb 0.50 -1.02 0.02 0.00 -0.06 0.00 0.00 31.44 30.87 1pkt n GLU 17 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1pkt n ARG 18 N -1.50 1.41 0.00 5.31 1.74 -1.26 -4.79 116.66 117.56 1pkt n ARG 18 Ca 0.00 0.51 0.03 0.00 -0.77 0.00 0.00 57.85 57.62 1pkt n ARG 18 Cb 0.00 -2.12 0.15 0.00 -1.02 0.00 0.00 32.46 29.47 1pkt n ARG 18 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1pkt n GLU 19 N -0.01 0.05 -0.03 5.56 2.13 -1.26 -1.87 120.64 125.21 1pkt n GLU 19 Ca 0.09 0.30 0.04 0.00 0.66 0.00 0.00 57.16 58.26 1pkt n GLU 19 Cb 0.40 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.48 1pkt n GLU 19 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1pkt n GLU 20 N -1.38 0.75 -1.38 5.31 4.07 -1.26 -4.99 120.64 121.76 1pkt n GLU 20 Ca 0.02 -0.12 -0.30 0.00 -0.06 0.00 0.00 57.16 56.71 1pkt n GLU 20 Cb 0.06 -1.42 0.23 0.00 -0.06 0.00 0.00 31.44 30.25 1pkt n GLU 20 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1pkt n ASP 21 N -2.26 -1.24 -4.12 4.31 5.68 -0.78 -2.35 116.55 115.79 1pkt n ASP 21 Ca -0.10 -1.29 -0.09 0.00 -0.50 0.00 0.00 54.79 52.81 1pkt n ASP 21 Cb 0.62 -1.01 -0.10 0.00 -1.14 0.00 0.00 41.12 39.49 1pkt n ASP 21 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1pkt s ILE 22 N -3.35 0.43 0.51 2.12 -5.25 -0.88 -4.53 121.20 110.25 1pkt s ILE 22 Ca 0.73 -1.81 -0.23 0.00 -0.99 0.00 0.00 60.65 58.34 1pkt s ILE 22 Cb -0.05 -1.52 -0.06 0.00 2.95 0.00 0.00 42.46 43.78 1pkt s ILE 22 CO 0.54 -0.91 1.39 -1.81 -1.79 0.00 0.00 174.94 172.36 1pkt s ASP 23 N -2.89 5.46 0.09 4.36 1.11 -1.26 -3.95 116.67 119.59 1pkt s ASP 23 Ca 0.08 2.85 0.02 0.00 0.18 0.00 0.00 52.55 55.68 1pkt s ASP 23 Cb 0.06 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1pkt s ASP 23 CO -0.07 -1.45 -0.07 -0.76 1.18 0.00 0.00 175.17 174.00 1pkt s LEU 24 N -3.24 2.46 -0.28 1.23 1.43 -0.74 -4.90 118.68 114.64 1pkt s LEU 24 Ca 0.68 -0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 52.72 1pkt s LEU 24 Cb -0.42 -0.12 0.09 0.00 0.03 0.00 0.00 46.19 45.76 1pkt s LEU 24 CO 0.52 -0.39 0.69 -1.00 0.23 0.00 0.00 176.35 176.39 1pkt s HIS 25 N -3.10 -1.10 -0.11 0.29 3.76 -1.23 -1.11 115.29 112.69 1pkt s HIS 25 Ca 0.07 2.16 -0.39 0.00 -0.15 0.00 0.00 55.06 56.76 1pkt s HIS 25 Cb 0.02 0.66 -0.16 0.00 1.11 0.00 0.00 32.58 34.20 1pkt s HIS 25 CO -0.03 -0.55 1.55 -0.11 -0.85 0.00 0.00 174.74 174.75 1pkt n LEU 26 N 4.45 2.01 0.00 0.89 7.94 -1.16 -1.48 117.00 129.65 1pkt n LEU 26 Ca -0.19 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 1pkt n LEU 26 Cb 0.58 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1pkt n LEU 26 CO -0.02 -0.73 0.00 0.61 -1.11 0.00 0.00 177.39 176.14 1pkt n GLY 27 N 3.40 2.26 3.92 -3.96 0.00 -1.26 -4.97 105.19 104.58 1pkt n GLY 27 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.88 6.21 0.24 1.61 1.11 -0.55 -4.83 116.67 118.57 1pkt s ASP 28 Ca 0.00 0.69 0.10 0.00 0.18 0.00 0.00 52.55 53.52 1pkt s ASP 28 Cb 0.00 -2.09 -0.04 0.00 1.07 0.00 0.00 42.92 41.86 1pkt s ASP 28 CO 0.00 -0.51 -0.10 -0.63 1.18 0.00 0.00 175.17 175.11 1pkt s ILE 29 N -2.58 3.01 -0.10 0.77 1.01 -1.26 0.45 121.20 122.49 1pkt s ILE 29 Ca 0.45 -1.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.10 1pkt s ILE 29 Cb -0.10 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.84 1pkt s ILE 29 CO 0.41 -0.29 -0.06 -0.76 0.00 0.00 0.00 174.94 174.24 1pkt s LEU 30 N -3.31 1.13 -0.56 2.97 1.02 -0.74 -3.42 118.68 115.76 1pkt s LEU 30 Ca 0.28 -0.25 -0.20 0.00 0.02 0.00 0.00 54.13 53.98 1pkt s LEU 30 Cb -0.07 -0.75 0.08 0.00 0.02 0.00 0.00 46.19 45.47 1pkt s LEU 30 CO 0.16 -0.12 0.72 -0.89 0.02 0.00 0.00 176.35 176.25 1pkt s THR 31 N 1.62 4.75 -0.29 5.49 2.01 -0.87 -1.90 115.64 126.45 1pkt s THR 31 Ca 0.02 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.29 1pkt s THR 31 Cb -0.13 -4.44 -0.03 0.00 0.01 0.00 0.00 72.50 67.91 1pkt s THR 31 CO -0.06 -1.04 0.17 -0.69 -0.69 0.00 0.00 174.62 172.31 1pkt s VAL 32 N 2.92 4.93 0.84 3.82 1.01 0.07 -1.81 120.40 132.17 1pkt s VAL 32 Ca 0.15 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 1pkt s VAL 32 Cb -0.20 -3.42 0.17 0.00 0.00 0.00 0.00 36.38 32.92 1pkt s VAL 32 CO 0.10 0.17 0.38 0.59 0.00 0.00 0.00 175.10 176.33 1pkt n ASN 33 N 5.02 -2.80 0.00 3.32 4.13 -1.26 0.06 115.26 123.74 1pkt n ASN 33 Ca -0.14 -0.38 0.00 0.00 1.68 0.00 0.00 54.58 55.73 1pkt n ASN 33 Cb 0.51 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 1pkt n ASN 33 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1pkt n LYS 34 N -1.59 0.00 0.19 3.52 5.02 -1.26 -3.31 118.16 120.73 1pkt n LYS 34 Ca 0.06 0.17 0.18 0.00 -2.02 0.00 0.00 58.31 56.70 1pkt n LYS 34 Cb 0.26 -0.59 0.81 0.00 -0.02 0.00 0.00 35.03 35.49 1pkt n LYS 34 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1pkt h GLY 35 N 0.00 0.00 0.89 0.72 0.00 -1.93 -0.22 103.07 102.52 1pkt h GLY 35 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1pkt h GLY 35 CO 0.00 0.00 0.61 0.23 0.00 0.00 0.00 176.54 177.38 1pkt h SER 36 N 0.00 1.02 0.52 0.19 0.87 -1.94 1.10 113.55 115.31 1pkt h SER 36 Ca 0.11 -0.01 -0.28 0.00 -1.23 0.00 0.00 61.79 60.38 1pkt h SER 36 Cb 0.75 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.43 1pkt h SER 36 CO -0.00 0.71 -1.67 -0.11 -0.53 0.00 0.00 176.83 175.23 1pkt n LEU 37 N -4.48 0.88 -0.55 2.23 7.94 -0.18 -3.83 117.00 119.00 1pkt n LEU 37 Ca 0.12 0.42 0.11 0.00 -1.11 0.00 0.00 56.01 55.55 1pkt n LEU 37 Cb 0.08 0.16 0.41 0.00 0.53 0.00 0.00 43.42 44.60 1pkt n LEU 37 CO 0.35 0.36 0.80 0.52 -1.11 0.00 0.00 177.39 178.30 1pkt n VAL 38 N -3.03 0.16 0.40 1.96 0.31 -0.67 -3.95 118.33 113.52 1pkt n VAL 38 Ca -0.16 -0.33 0.05 0.00 -0.01 0.00 0.00 64.34 63.88 1pkt n VAL 38 Cb 1.03 0.43 0.23 0.00 -0.91 0.00 0.00 33.84 34.62 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 0.33 1.54 -0.66 3.52 0.00 0.38 -1.50 120.51 124.11 1pkt n ALA 39 Ca 0.17 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.65 1pkt n ALA 39 Cb 0.35 -1.16 0.30 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 -1.38 4.25 -1.12 0.00 4.77 -1.25 -4.93 117.00 117.34 1pkt n LEU 40 Ca 0.04 -2.55 -0.04 0.00 -0.03 0.00 0.00 56.01 53.42 1pkt n LEU 40 Cb 0.09 -0.51 0.01 0.00 -2.33 0.00 0.00 43.42 40.69 1pkt n LEU 40 CO 0.08 0.75 0.04 0.61 -1.33 0.00 0.00 177.39 177.54 1pkt n GLY 41 N 0.52 0.63 0.00 -0.72 0.00 -0.56 -5.04 105.19 100.01 1pkt n GLY 41 Ca 0.22 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.73 -1.95 -4.06 1.61 3.01 -1.24 -5.07 117.46 107.03 1pkt n PHE 42 Ca -0.01 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.37 1pkt n PHE 42 Cb 0.51 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.88 1pkt n PHE 42 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1pkt s SER 43 N -1.76 0.51 0.05 4.37 0.15 -1.26 -5.07 113.70 110.69 1pkt s SER 43 Ca 0.00 -0.81 -0.30 0.00 0.70 0.00 0.00 55.95 55.53 1pkt s SER 43 Cb 0.00 0.15 -0.09 0.00 -1.71 0.00 0.00 66.02 64.37 1pkt s SER 43 CO 0.00 -0.47 1.95 -0.62 1.20 0.00 0.00 173.24 175.30 1pkt s ASP 44 N -2.39 6.45 0.00 5.45 -1.08 -1.26 -1.55 116.67 122.29 1pkt s ASP 44 Ca -0.01 2.68 0.00 0.00 -0.52 0.00 0.00 52.55 54.70 1pkt s ASP 44 Cb 0.01 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 1pkt s ASP 44 CO -0.06 -1.05 0.00 0.61 0.52 0.00 0.00 175.17 175.19 1pkt n GLY 45 N 4.50 1.56 0.19 2.66 0.00 -1.26 -4.90 105.19 107.94 1pkt n GLY 45 Ca 0.20 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 0.68 -0.01 1.61 7.50 -1.62 -2.97 115.11 120.30 1pkt h GLN 46 Ca 0.00 -0.78 0.00 0.00 0.50 0.00 0.00 58.65 58.37 1pkt h GLN 46 Cb 0.00 0.23 -0.00 0.00 0.05 0.00 0.00 27.48 27.76 1pkt h GLN 46 CO 0.00 1.35 0.01 1.05 -1.50 0.00 0.00 178.83 179.73 1pkt h GLU 47 N 0.36 0.00 0.00 1.46 -0.00 -1.91 -0.17 114.58 114.31 1pkt h GLU 47 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.21 1pkt h GLU 47 Cb 1.76 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.51 1pkt h GLU 47 CO 0.22 0.00 -0.46 0.00 -0.00 0.00 0.00 179.01 178.76 1pkt h ALA 48 N 1.99 0.76 -2.74 1.06 0.00 -1.89 -3.39 119.26 115.06 1pkt h ALA 48 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.24 1pkt h ALA 48 Cb 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.44 1pkt h ALA 48 CO -0.00 0.00 -0.22 0.54 0.00 0.00 0.00 179.25 179.57 1pkt n ARG 49 N -2.86 2.56 0.01 0.00 3.00 -0.08 -4.06 116.66 115.24 1pkt n ARG 49 Ca 0.02 -4.52 0.10 0.00 -0.01 0.00 0.00 57.85 53.44 1pkt n ARG 49 Cb 0.53 -2.37 0.53 0.00 0.00 0.00 0.00 32.46 31.15 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 5.52 0.32 -0.24 5.56 0.10 -1.76 -0.13 132.00 141.38 1pkt h PRO 50 Ca 0.17 -0.02 -0.00 0.00 0.10 0.00 0.00 66.00 66.25 1pkt h PRO 50 Cb 0.76 -0.07 -0.01 0.00 0.10 0.00 0.00 31.00 31.77 1pkt h PRO 50 CO 0.86 0.21 0.14 1.49 0.10 0.00 0.00 178.00 180.79 1pkt h GLU 51 N 0.33 0.32 -0.01 1.05 4.81 -1.37 -0.23 114.58 119.48 1pkt h GLU 51 Ca 0.19 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1pkt h GLU 51 Cb 0.35 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1pkt h GLU 51 CO -0.04 0.23 -0.48 0.39 -0.73 0.00 0.00 179.01 178.38 1pkt n GLU 52 N -4.48 0.66 -0.06 1.92 1.02 -0.15 -4.30 120.64 115.25 1pkt n GLU 52 Ca 0.01 -0.47 -0.08 0.00 -0.02 0.00 0.00 57.16 56.60 1pkt n GLU 52 Cb 0.09 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 29.94 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 1.14 1.01 0.00 -3.67 2.04 -0.15 -3.50 117.51 114.39 1pkt h ILE 53 Ca 0.00 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.12 1pkt h ILE 53 Cb 0.57 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1pkt h ILE 53 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 178.15 179.10 1pkt n GLY 54 N 1.64 2.22 3.04 5.37 0.00 -0.99 -5.03 105.19 111.43 1pkt n GLY 54 Ca -0.06 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.14 -0.00 1.61 0.52 -1.26 -2.19 118.94 117.48 1pkt s TRP 55 Ca 0.00 0.33 0.01 0.00 0.02 0.00 0.00 56.10 56.45 1pkt s TRP 55 Cb 0.00 0.04 -0.00 0.00 -1.15 0.00 0.00 33.47 32.36 1pkt s TRP 55 CO 0.00 -0.10 -0.02 -0.51 0.02 0.00 0.00 176.95 176.34 1pkt s LEU 56 N -0.11 1.99 -0.66 2.99 1.02 -0.58 -4.86 118.68 118.47 1pkt s LEU 56 Ca -0.02 -0.03 -0.21 0.00 0.02 0.00 0.00 54.13 53.89 1pkt s LEU 56 Cb -0.02 -0.09 0.09 0.00 0.02 0.00 0.00 46.19 46.19 1pkt s LEU 56 CO 0.00 0.02 0.90 0.21 0.02 0.00 0.00 176.35 177.50 1pkt s ASN 57 N -0.02 6.21 0.36 2.29 3.04 -1.26 -1.61 114.94 123.95 1pkt s ASN 57 Ca 0.00 -1.21 0.08 0.00 0.04 0.00 0.00 52.86 51.77 1pkt s ASN 57 Cb -0.01 -2.38 -0.04 0.00 -1.54 0.00 0.00 41.25 37.28 1pkt s ASN 57 CO -0.00 -1.31 0.15 -0.83 -3.04 0.00 0.00 177.10 172.06 1pkt s GLY 58 N 3.66 2.05 -0.44 1.21 0.00 -0.68 -4.42 107.32 108.70 1pkt s GLY 58 Ca 0.20 -1.91 -0.14 0.00 0.00 0.00 0.00 44.72 42.88 1pkt s GLY 58 CO 0.07 -1.80 0.33 -0.47 0.00 0.00 0.00 173.10 171.23 1pkt s TYR 59 N -2.47 3.26 -1.29 1.90 5.04 -0.75 -2.58 117.35 120.45 1pkt s TYR 59 Ca 0.39 -1.00 -0.18 0.00 -2.44 0.00 0.00 57.07 53.83 1pkt s TYR 59 Cb -0.01 -2.93 0.04 0.00 0.35 0.00 0.00 41.96 39.41 1pkt s TYR 59 CO 0.22 -0.75 1.83 0.09 -1.34 0.00 0.00 175.55 175.60 1pkt n ASN 60 N 5.11 4.51 -0.32 4.32 4.13 -0.72 -2.05 115.26 130.24 1pkt n ASN 60 Ca -0.12 -2.88 0.22 0.00 1.68 0.00 0.00 54.58 53.49 1pkt n ASN 60 Cb 0.44 -1.72 0.50 0.00 -1.54 0.00 0.00 39.78 37.46 1pkt n ASN 60 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1pkt h GLU 61 N 7.64 0.40 0.14 3.52 4.81 -1.85 0.78 114.58 130.03 1pkt h GLU 61 Ca 0.44 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1pkt h GLU 61 Cb 0.84 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 1pkt h GLU 61 CO 1.50 0.27 -0.47 1.15 -0.73 0.00 0.00 179.01 180.72 1pkt h THR 62 N 0.42 0.00 -0.41 0.32 2.02 -1.86 -1.12 112.91 112.29 1pkt h THR 62 Ca 0.59 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.77 1pkt h THR 62 Cb 1.45 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1pkt h THR 62 CO -0.30 0.00 0.00 0.35 0.37 0.00 0.00 175.52 175.94 1pkt n THR 63 N -5.17 0.92 -4.11 3.16 -2.24 -0.52 -4.92 114.28 101.39 1pkt n THR 63 Ca -0.08 -0.66 -0.36 0.00 -2.27 0.00 0.00 64.05 60.68 1pkt n THR 63 Cb 0.38 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.93 -0.46 2.71 3.38 0.00 0.26 -4.94 105.19 107.07 1pkt n GLY 64 Ca 0.15 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 46.23 1pkt n GLY 64 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pkt s GLU 65 N -7.13 0.05 -0.18 1.61 -1.05 -0.99 -4.98 118.70 106.02 1pkt s GLU 65 Ca 0.22 0.30 -0.13 0.00 -0.15 0.00 0.00 54.97 55.20 1pkt s GLU 65 Cb -0.11 -0.54 -0.05 0.00 -0.44 0.00 0.00 34.13 32.99 1pkt s GLU 65 CO 0.96 -0.29 0.28 0.50 0.95 0.00 0.00 175.26 177.66 1pkt s ARG 66 N 1.94 4.21 0.04 -4.83 3.52 -1.26 -1.75 118.95 120.82 1pkt s ARG 66 Ca 0.02 0.04 -0.25 0.00 -0.13 0.00 0.00 55.73 55.41 1pkt s ARG 66 Cb -0.12 -3.46 0.08 0.00 -1.56 0.00 0.00 34.95 29.89 1pkt s ARG 66 CO -0.03 0.16 1.16 0.41 -0.81 0.00 0.00 175.30 176.19 1pkt n GLY 67 N 3.63 0.35 3.93 8.12 0.00 -1.06 -4.86 105.19 115.30 1pkt n GLY 67 Ca -0.12 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.62 5.64 0.07 1.61 1.11 -0.99 -1.69 116.67 118.80 1pkt s ASP 68 Ca 0.27 0.53 -0.27 0.00 0.18 0.00 0.00 52.55 53.26 1pkt s ASP 68 Cb -0.01 -1.59 0.08 0.00 1.07 0.00 0.00 42.92 42.47 1pkt s ASP 68 CO 0.01 -0.96 0.86 0.72 1.18 0.00 0.00 175.17 176.98 1pkt s PHE 69 N -2.84 -0.32 -0.00 4.23 -0.12 -0.63 -2.06 117.98 116.24 1pkt s PHE 69 Ca 0.52 0.11 -0.30 0.00 -0.05 0.00 0.00 56.93 57.22 1pkt s PHE 69 Cb -0.10 0.57 -0.07 0.00 -0.63 0.00 0.00 43.02 42.79 1pkt s PHE 69 CO 0.42 -0.69 1.79 -1.25 -0.05 0.00 0.00 175.22 175.45 1pkt s PRO 70 N -3.29 4.16 0.57 1.99 0.04 -1.26 -1.53 135.00 135.68 1pkt s PRO 70 Ca 0.06 2.39 0.37 0.00 0.04 0.00 0.00 61.00 63.87 1pkt s PRO 70 Cb -0.01 -4.02 1.85 0.00 0.04 0.00 0.00 34.50 32.36 1pkt s PRO 70 CO -0.06 -0.88 2.13 0.78 0.04 0.00 0.00 177.00 179.00 1pkt h GLY 71 N 10.22 0.00 2.00 0.56 0.00 -1.52 -1.50 103.07 112.83 1pkt h GLY 71 Ca -0.44 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1pkt h GLY 71 CO 0.95 0.00 -0.00 -0.91 0.00 0.00 0.00 176.54 176.57 1pkt h THR 72 N 0.00 0.00 -0.36 4.70 1.35 -1.75 -0.28 112.91 116.57 1pkt h THR 72 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1pkt h THR 72 Cb 0.21 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1pkt h THR 72 CO 0.00 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.05 1pkt n TYR 73 N -3.09 0.48 -4.13 4.73 4.02 -0.57 -4.81 117.16 113.79 1pkt n TYR 73 Ca 0.01 -0.24 -0.09 0.00 -0.01 0.00 0.00 57.90 57.57 1pkt n TYR 73 Cb 0.36 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.66 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 0.81 0.00 -3.12 -0.72 0.24 -1.02 0.21 118.33 114.73 1pkt n VAL 74 Ca 0.17 -0.71 -0.07 0.00 -2.04 0.00 0.00 64.34 61.69 1pkt n VAL 74 Cb 0.41 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 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 -2.57 0.87 0.14 7.34 -1.05 -0.57 -4.76 118.70 118.10 1pkt s GLU 75 Ca 0.01 -0.80 -0.32 0.00 -0.15 0.00 0.00 54.97 53.72 1pkt s GLU 75 Cb -0.00 -0.25 -0.18 0.00 -0.44 0.00 0.00 34.13 33.26 1pkt s GLU 75 CO 0.01 -1.25 0.72 0.98 0.95 0.00 0.00 175.26 176.67 1pkt n TYR 76 N 3.79 -0.06 0.01 4.83 9.36 -1.26 -2.22 117.16 131.62 1pkt n TYR 76 Ca 0.15 0.99 0.00 0.00 3.32 0.00 0.00 57.90 62.36 1pkt n TYR 76 Cb 0.53 -2.01 0.00 0.00 -0.63 0.00 0.00 39.34 37.23 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 0.52 0.00 0.00 2.97 5.41 -0.98 -4.84 119.36 122.44 1pkt n ILE 77 Ca 0.18 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1pkt n ILE 77 Cb 0.20 1.00 0.00 0.00 -0.71 0.00 0.00 39.64 40.13 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 0.44 0.74 0.00 7.39 0.00 -1.26 -5.04 105.19 107.46 1pkt n GLY 78 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1pkt n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36