#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 3.95 3.73 0.62 0.00 -1.26 -4.85 105.19 107.38 1pkt n GLY 5 Ca 0.00 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.02 3.76 -0.11 1.61 1.51 0.63 -4.41 117.35 118.32 1pkt s TYR 6 Ca 0.00 1.76 -0.04 0.00 -1.01 0.00 0.00 57.07 57.78 1pkt s TYR 6 Cb 0.00 -3.10 0.06 0.00 -0.11 0.00 0.00 41.96 38.81 1pkt s TYR 6 CO 0.00 0.06 0.17 -0.65 -1.11 0.00 0.00 175.55 174.02 1pkt s GLN 7 N 0.10 0.06 0.53 -0.62 -0.21 -0.56 0.94 119.66 119.90 1pkt s GLN 7 Ca 0.48 0.48 0.04 0.00 0.02 0.00 0.00 55.36 56.38 1pkt s GLN 7 Cb -0.24 -0.50 0.02 0.00 1.00 0.00 0.00 33.01 33.29 1pkt s GLN 7 CO 0.30 -0.38 0.25 0.71 -2.12 0.00 0.00 175.29 174.05 1pkt s TYR 8 N 2.30 1.70 0.19 0.91 2.02 -0.96 -1.48 117.35 122.02 1pkt s TYR 8 Ca 0.04 -0.89 0.08 0.00 -0.37 0.00 0.00 57.07 55.93 1pkt s TYR 8 Cb -0.13 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1pkt s TYR 8 CO -0.07 -0.21 -0.03 0.50 -1.57 0.00 0.00 175.55 174.17 1pkt s ARG 9 N -4.13 2.27 -0.24 -0.62 3.52 -1.00 -2.39 118.95 116.36 1pkt s ARG 9 Ca 0.23 -1.21 -0.19 0.00 -0.13 0.00 0.00 55.73 54.43 1pkt s ARG 9 Cb -0.01 -2.26 -0.03 0.00 -1.56 0.00 0.00 34.95 31.10 1pkt s ARG 9 CO 0.14 0.43 0.54 0.00 -0.81 0.00 0.00 175.30 175.60 1pkt s ALA 10 N -1.82 3.58 -0.08 6.12 0.00 -0.41 -1.39 121.76 127.76 1pkt s ALA 10 Ca 0.27 -0.52 0.15 0.00 0.00 0.00 0.00 51.96 51.87 1pkt s ALA 10 Cb -0.09 -2.90 -0.23 0.00 0.00 0.00 0.00 23.12 19.91 1pkt s ALA 10 CO 0.18 -0.68 0.22 1.47 0.00 0.00 0.00 175.76 176.95 1pkt n LEU 11 N 5.38 0.00 -4.74 0.00 -0.00 -0.61 -1.38 117.00 115.66 1pkt n LEU 11 Ca -0.04 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.66 1pkt n LEU 11 Cb 0.50 0.17 -0.08 0.00 -0.00 0.00 0.00 43.42 44.01 1pkt n LEU 11 CO 0.41 0.17 -0.25 -0.31 -0.00 0.00 0.00 177.39 177.42 1pkt s TYR 12 N -2.79 2.00 0.31 1.47 1.51 -1.07 -4.60 117.35 114.18 1pkt s TYR 12 Ca -0.07 -0.89 0.09 0.00 -1.01 0.00 0.00 57.07 55.19 1pkt s TYR 12 Cb 0.08 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1pkt s TYR 12 CO 0.66 0.25 0.08 -0.51 -1.11 0.00 0.00 175.55 174.92 1pkt s ASP 13 N -3.86 4.62 -0.30 2.29 1.11 -1.26 -2.39 116.67 116.88 1pkt s ASP 13 Ca 0.13 -0.73 -0.10 0.00 0.18 0.00 0.00 52.55 52.04 1pkt s ASP 13 Cb 0.03 -0.78 0.17 0.00 1.07 0.00 0.00 42.92 43.41 1pkt s ASP 13 CO 0.07 -0.17 0.84 -0.47 1.18 0.00 0.00 175.17 176.61 1pkt s TYR 14 N -2.39 -1.01 -0.54 4.23 5.04 -0.31 -4.94 117.35 117.43 1pkt s TYR 14 Ca 0.35 1.36 -0.28 0.00 -2.44 0.00 0.00 57.07 56.06 1pkt s TYR 14 Cb -0.04 0.46 0.03 0.00 0.35 0.00 0.00 41.96 42.76 1pkt s TYR 14 CO 0.21 -0.53 1.21 0.15 -1.34 0.00 0.00 175.55 175.25 1pkt s LYS 15 N 2.77 3.56 -0.47 4.97 1.02 -1.26 -1.92 119.74 128.41 1pkt s LYS 15 Ca 0.04 0.39 -0.45 0.00 0.02 0.00 0.00 55.97 55.98 1pkt s LYS 15 Cb -0.11 -3.99 -0.19 0.00 -0.52 0.00 0.00 37.83 33.02 1pkt s LYS 15 CO -0.17 -1.61 1.85 0.36 -0.92 0.00 0.00 175.35 174.86 1pkt n LYS 16 N 8.27 0.18 -0.00 1.68 2.85 -1.24 -4.85 118.16 125.05 1pkt n LYS 16 Ca 0.10 0.06 -0.00 0.00 -1.05 0.00 0.00 58.31 57.42 1pkt n LYS 16 Cb 0.49 -1.62 -0.00 0.00 -0.65 0.00 0.00 35.03 33.25 1pkt n LYS 16 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1pkt h GLU 17 N 7.14 0.00 -6.38 -1.58 4.39 -1.89 -3.47 114.58 112.79 1pkt h GLU 17 Ca -0.31 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.85 1pkt h GLU 17 Cb 1.38 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.00 1pkt h GLU 17 CO 1.02 0.00 -0.08 0.50 -1.16 0.00 0.00 179.01 179.29 1pkt s ARG 18 N -1.03 3.93 0.61 2.33 6.06 -1.26 -4.91 118.95 124.68 1pkt s ARG 18 Ca -0.00 0.43 0.26 0.00 -2.50 0.00 0.00 55.73 53.92 1pkt s ARG 18 Cb 0.00 -2.81 1.02 0.00 0.06 0.00 0.00 34.95 33.22 1pkt s ARG 18 CO 0.00 0.41 1.45 0.93 -2.50 0.00 0.00 175.30 175.59 1pkt h GLU 19 N 3.16 0.00 0.79 5.12 5.08 -2.02 0.30 114.58 127.01 1pkt h GLU 19 Ca -0.48 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 1pkt h GLU 19 Cb 1.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.44 1pkt h GLU 19 CO 0.67 0.00 -0.38 1.05 -1.00 0.00 0.00 179.01 179.35 1pkt h GLU 20 N 0.00 -1.03 -7.35 2.33 4.11 -1.98 -3.43 114.58 107.23 1pkt h GLU 20 Ca 0.38 0.07 -0.50 0.00 0.07 0.00 0.00 59.36 59.38 1pkt h GLU 20 Cb 2.37 0.23 0.12 0.00 0.50 0.00 0.00 28.75 31.97 1pkt h GLU 20 CO -0.00 -0.68 0.31 0.16 0.07 0.00 0.00 179.01 178.87 1pkt s ASP 21 N -4.27 4.35 0.28 3.06 1.47 0.09 -2.50 116.67 119.16 1pkt s ASP 21 Ca -0.18 1.55 0.10 0.00 1.18 0.00 0.00 52.55 55.20 1pkt s ASP 21 Cb 0.03 -2.29 -0.05 0.00 -0.34 0.00 0.00 42.92 40.26 1pkt s ASP 21 CO 0.59 -2.09 -0.14 0.27 0.68 0.00 0.00 175.17 174.49 1pkt s ILE 22 N -3.00 2.14 -0.63 2.11 -5.25 -0.89 -4.64 121.20 111.03 1pkt s ILE 22 Ca 0.61 -2.27 -0.28 0.00 -0.99 0.00 0.00 60.65 57.72 1pkt s ILE 22 Cb -0.16 -2.37 0.03 0.00 2.95 0.00 0.00 42.46 42.91 1pkt s ILE 22 CO 0.56 -0.37 1.27 -1.81 -1.79 0.00 0.00 174.94 172.80 1pkt s ASP 23 N -3.49 6.27 0.13 4.36 1.11 -1.26 -3.64 116.67 120.16 1pkt s ASP 23 Ca 0.29 -0.06 0.03 0.00 0.18 0.00 0.00 52.55 52.99 1pkt s ASP 23 Cb -0.01 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1pkt s ASP 23 CO 0.13 -1.66 0.20 -0.22 1.18 0.00 0.00 175.17 174.81 1pkt s LEU 24 N 5.49 4.13 -0.13 1.23 0.20 -0.81 -4.85 118.68 123.93 1pkt s LEU 24 Ca 0.42 0.08 -0.14 0.00 0.69 0.00 0.00 54.13 55.18 1pkt s LEU 24 Cb -0.08 -2.73 0.04 0.00 -0.43 0.00 0.00 46.19 42.99 1pkt s LEU 24 CO 0.22 0.09 0.38 -1.00 -0.29 0.00 0.00 176.35 175.75 1pkt s HIS 25 N -1.66 -0.40 0.33 5.38 3.76 -1.26 -1.16 115.29 120.27 1pkt s HIS 25 Ca 0.33 0.96 -0.24 0.00 -0.15 0.00 0.00 55.06 55.95 1pkt s HIS 25 Cb -0.11 0.14 -0.15 0.00 1.11 0.00 0.00 32.58 33.57 1pkt s HIS 25 CO 0.26 -0.23 0.44 -0.11 -0.85 0.00 0.00 174.74 174.25 1pkt n LEU 26 N 2.67 -1.15 0.00 0.89 7.94 -1.01 -0.36 117.00 125.98 1pkt n LEU 26 Ca -0.14 0.98 0.00 0.00 -1.11 0.00 0.00 56.01 55.74 1pkt n LEU 26 Cb 0.57 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.52 1pkt n LEU 26 CO 0.15 -3.19 0.00 0.61 -1.11 0.00 0.00 177.39 173.85 1pkt n GLY 27 N 1.98 0.92 3.92 -3.96 0.00 -0.48 -4.96 105.19 102.61 1pkt n GLY 27 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 6.31 -0.14 1.61 1.11 0.51 -4.87 116.67 118.25 1pkt s ASP 28 Ca 0.00 0.74 -0.01 0.00 0.18 0.00 0.00 52.55 53.46 1pkt s ASP 28 Cb 0.00 -2.16 -0.01 0.00 1.07 0.00 0.00 42.92 41.82 1pkt s ASP 28 CO 0.00 -0.42 -0.11 -0.63 1.18 0.00 0.00 175.17 175.19 1pkt s ILE 29 N -2.49 3.17 -0.38 0.77 -1.09 -1.26 -1.29 121.20 118.63 1pkt s ILE 29 Ca 0.44 -0.61 -0.06 0.00 -2.23 0.00 0.00 60.65 58.19 1pkt s ILE 29 Cb -0.10 -2.35 0.07 0.00 -1.58 0.00 0.00 42.46 38.50 1pkt s ILE 29 CO 0.39 0.51 0.17 -0.76 -1.23 0.00 0.00 174.94 174.03 1pkt s LEU 30 N 0.49 4.79 -0.94 2.97 1.02 -1.00 -2.39 118.68 123.61 1pkt s LEU 30 Ca -0.08 -1.48 -0.21 0.00 0.02 0.00 0.00 54.13 52.38 1pkt s LEU 30 Cb -0.15 -1.89 0.09 0.00 0.02 0.00 0.00 46.19 44.25 1pkt s LEU 30 CO 0.04 -0.45 1.26 -0.89 0.02 0.00 0.00 176.35 176.33 1pkt s THR 31 N 1.34 4.31 -0.76 5.49 2.01 -0.69 -2.27 115.64 125.06 1pkt s THR 31 Ca 0.02 -1.04 -0.22 0.00 0.31 0.00 0.00 61.69 60.76 1pkt s THR 31 Cb -0.22 -4.90 0.08 0.00 0.01 0.00 0.00 72.50 67.48 1pkt s THR 31 CO 0.01 -1.70 1.08 -0.69 -0.69 0.00 0.00 174.62 172.63 1pkt s VAL 32 N 3.91 4.31 0.69 3.82 1.01 0.27 -1.65 120.40 132.76 1pkt s VAL 32 Ca 0.37 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 1pkt s VAL 32 Cb -0.04 -4.77 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 1pkt s VAL 32 CO -0.07 -1.56 0.59 -0.46 0.00 0.00 0.00 175.10 173.60 1pkt n ASN 33 N 7.74 -0.93 -4.62 3.32 0.23 -1.26 -0.27 115.26 119.48 1pkt n ASN 33 Ca 0.07 0.63 -0.43 0.00 -0.53 0.00 0.00 54.58 54.32 1pkt n ASN 33 Cb 0.47 -1.23 -0.03 0.00 -2.08 0.00 0.00 39.78 36.91 1pkt n ASN 33 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1pkt s LYS 34 N -2.69 3.68 0.00 -3.83 -2.85 -1.26 -3.12 119.74 109.67 1pkt s LYS 34 Ca 0.67 1.60 0.00 0.00 -1.00 0.00 0.00 55.97 57.25 1pkt s LYS 34 Cb -0.37 -4.08 0.00 0.00 -2.06 0.00 0.00 37.83 31.32 1pkt s LYS 34 CO 0.56 -1.44 0.00 0.41 0.10 0.00 0.00 175.35 174.98 1pkt n GLY 35 N 4.86 3.41 0.34 0.59 0.00 -1.26 -4.89 105.19 108.24 1pkt n GLY 35 Ca 0.20 -0.68 0.17 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.00 0.35 1.61 0.87 -1.90 0.77 113.55 115.25 1pkt h SER 36 Ca 0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 1pkt h SER 36 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1pkt h SER 36 CO 0.00 0.00 -1.83 -0.11 -0.53 0.00 0.00 176.83 174.36 1pkt n LEU 37 N -3.91 1.49 -0.56 2.23 7.94 -1.26 -3.93 117.00 119.00 1pkt n LEU 37 Ca 0.02 0.33 0.12 0.00 -1.11 0.00 0.00 56.01 55.37 1pkt n LEU 37 Cb 0.34 -0.28 0.42 0.00 0.53 0.00 0.00 43.42 44.42 1pkt n LEU 37 CO 0.29 0.56 0.80 0.52 -1.11 0.00 0.00 177.39 178.45 1pkt n VAL 38 N -3.19 0.14 0.13 1.96 0.31 -0.37 -4.01 118.33 113.31 1pkt n VAL 38 Ca -0.23 -0.33 0.05 0.00 -0.01 0.00 0.00 64.34 63.82 1pkt n VAL 38 Cb 1.05 0.45 0.25 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 0.33 1.13 -1.49 3.52 0.00 0.25 -1.45 120.51 122.80 1pkt n ALA 39 Ca 0.17 0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.46 1pkt n ALA 39 Cb 0.35 -1.15 0.12 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.79 5.88 -3.69 0.00 4.77 -1.26 -4.92 117.00 116.00 1pkt n LEU 40 Ca 0.00 -4.10 -0.23 0.00 -0.03 0.00 0.00 56.01 51.65 1pkt n LEU 40 Cb 0.05 -0.72 0.03 0.00 -2.33 0.00 0.00 43.42 40.45 1pkt n LEU 40 CO 0.06 1.46 -0.08 0.61 -1.33 0.00 0.00 177.39 178.11 1pkt n GLY 41 N -0.99 -0.46 0.00 -0.72 0.00 -0.53 -4.97 105.19 97.52 1pkt n GLY 41 Ca 0.50 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 -4.19 -2.42 -4.50 1.61 3.01 -1.24 -5.07 117.46 104.65 1pkt n PHE 42 Ca -0.25 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 57.99 1pkt n PHE 42 Cb 0.66 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.99 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 -1.40 1.75 -0.90 4.37 1.04 -1.26 -5.05 113.70 112.25 1pkt s SER 43 Ca 0.00 -0.38 -0.25 0.00 0.48 0.00 0.00 55.95 55.79 1pkt s SER 43 Cb 0.00 -0.15 -0.12 0.00 0.10 0.00 0.00 66.02 65.86 1pkt s SER 43 CO 0.00 0.10 2.18 -0.62 0.98 0.00 0.00 173.24 175.88 1pkt s ASP 44 N -0.82 4.32 0.00 7.02 2.15 -1.26 -2.21 116.67 125.86 1pkt s ASP 44 Ca 0.04 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.55 1pkt s ASP 44 Cb -0.07 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1pkt s ASP 44 CO 0.01 -3.58 0.00 0.61 -0.17 0.00 0.00 175.17 172.04 1pkt n GLY 45 N 6.66 2.44 0.13 2.66 0.00 -1.26 -4.95 105.19 110.87 1pkt n GLY 45 Ca 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 0.02 -0.98 1.61 1.08 -1.84 -3.17 115.11 111.83 1pkt h GLN 46 Ca 0.00 -0.01 0.33 0.00 -1.45 0.00 0.00 58.65 57.52 1pkt h GLN 46 Cb 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.27 1pkt h GLN 46 CO 0.00 0.66 0.40 1.05 -0.95 0.00 0.00 178.83 180.00 1pkt h GLU 47 N 0.01 0.13 -1.85 1.46 4.11 -1.93 0.63 114.58 117.15 1pkt h GLU 47 Ca -0.01 -0.01 -0.26 0.00 0.07 0.00 0.00 59.36 59.16 1pkt h GLU 47 Cb 1.16 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.28 1pkt h GLU 47 CO 0.09 0.09 0.13 0.00 0.07 0.00 0.00 179.01 179.39 1pkt n ALA 48 N -2.51 5.44 -2.74 1.06 0.00 -1.20 -4.18 120.51 116.39 1pkt n ALA 48 Ca 0.30 -1.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.03 1pkt n ALA 48 Cb 0.99 -1.67 0.08 0.00 0.00 0.00 0.00 19.45 18.85 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 1.22 0.95 0.12 0.00 1.74 0.22 -4.81 116.66 116.11 1pkt n ARG 49 Ca 0.30 -1.89 0.07 0.00 -0.77 0.00 0.00 57.85 55.57 1pkt n ARG 49 Cb 0.63 -1.15 0.39 0.00 -1.02 0.00 0.00 32.46 31.31 1pkt n ARG 49 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1pkt n PRO 50 N 0.71 0.09 0.12 5.56 -0.01 -1.26 -1.25 135.00 138.97 1pkt n PRO 50 Ca 0.07 0.58 -0.02 0.00 -0.01 0.00 0.00 63.50 64.12 1pkt n PRO 50 Cb 0.68 -1.89 0.20 0.00 -0.01 0.00 0.00 33.50 32.48 1pkt n PRO 50 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 175.50 176.54 1pkt h GLU 51 N 0.00 0.10 -0.07 -0.52 -0.00 -1.89 -2.01 114.58 110.19 1pkt h GLU 51 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 59.30 1pkt h GLU 51 Cb 0.15 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.91 1pkt h GLU 51 CO 0.00 0.61 0.00 -1.91 -0.00 0.00 0.00 179.01 177.71 1pkt n GLU 52 N -3.91 0.95 0.08 1.06 4.07 -0.38 -4.47 120.64 118.03 1pkt n GLU 52 Ca -0.02 -1.32 -0.10 0.00 -0.06 0.00 0.00 57.16 55.67 1pkt n GLU 52 Cb 0.55 -1.22 -0.11 0.00 -0.06 0.00 0.00 31.44 30.60 1pkt n GLU 52 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1pkt h ILE 53 N 2.16 1.63 0.00 6.31 2.04 -1.34 -3.49 117.51 124.82 1pkt h ILE 53 Ca 0.00 -3.22 0.00 0.00 1.00 0.00 0.00 64.86 62.64 1pkt h ILE 53 Cb 0.51 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1pkt h ILE 53 CO 0.00 0.93 0.00 0.61 0.00 0.00 0.00 178.15 179.69 1pkt n GLY 54 N 1.33 2.05 3.04 5.37 0.00 -1.24 -4.94 105.19 110.80 1pkt n GLY 54 Ca -0.03 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 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 0.34 0.06 1.61 0.52 -1.26 -1.78 118.94 118.43 1pkt s TRP 55 Ca 0.00 -0.71 -0.04 0.00 0.02 0.00 0.00 56.10 55.37 1pkt s TRP 55 Cb 0.00 -0.25 -0.02 0.00 -1.15 0.00 0.00 33.47 32.05 1pkt s TRP 55 CO 0.00 -0.29 0.07 -0.51 0.02 0.00 0.00 176.95 176.24 1pkt s LEU 56 N -2.07 2.00 -0.21 2.99 1.02 -0.69 -4.83 118.68 116.89 1pkt s LEU 56 Ca -0.06 -0.79 -0.00 0.00 0.02 0.00 0.00 54.13 53.30 1pkt s LEU 56 Cb -0.02 0.56 0.02 0.00 0.02 0.00 0.00 46.19 46.77 1pkt s LEU 56 CO -0.05 -0.62 -0.14 0.21 0.02 0.00 0.00 176.35 175.77 1pkt s ASN 57 N -2.73 3.72 0.00 2.29 3.84 -1.26 -0.83 114.94 119.97 1pkt s ASN 57 Ca 0.04 -0.76 0.00 0.00 0.21 0.00 0.00 52.86 52.35 1pkt s ASN 57 Cb 0.05 -1.57 0.00 0.00 -0.55 0.00 0.00 41.25 39.18 1pkt s ASN 57 CO -0.09 -0.05 0.00 0.61 -2.79 0.00 0.00 177.10 174.77 1pkt n GLY 58 N 4.63 4.33 3.18 1.21 0.00 -0.81 -4.37 105.19 113.37 1pkt n GLY 58 Ca -0.19 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.71 3.10 -1.29 1.61 5.04 -0.66 -2.33 117.35 121.11 1pkt s TYR 59 Ca 0.00 -1.66 -0.18 0.00 -2.44 0.00 0.00 57.07 52.78 1pkt s TYR 59 Cb 0.00 -2.05 0.06 0.00 0.35 0.00 0.00 41.96 40.32 1pkt s TYR 59 CO 0.00 -0.75 1.76 0.09 -1.34 0.00 0.00 175.55 175.30 1pkt n ASN 60 N 4.64 4.80 -0.34 4.32 4.13 -0.69 -1.71 115.26 130.41 1pkt n ASN 60 Ca -0.16 -2.90 0.21 0.00 1.68 0.00 0.00 54.58 53.41 1pkt n ASN 60 Cb 0.46 -1.75 0.44 0.00 -1.54 0.00 0.00 39.78 37.39 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 7.69 0.45 -0.43 3.52 4.81 -1.78 1.47 114.58 130.31 1pkt h GLU 61 Ca 0.44 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.73 1pkt h GLU 61 Cb 0.87 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.06 1pkt h GLU 61 CO 1.45 0.30 -0.28 1.15 -0.73 0.00 0.00 179.01 180.90 1pkt h THR 62 N 0.46 0.28 -0.37 0.32 2.02 -1.86 -1.46 112.91 112.30 1pkt h THR 62 Ca 0.67 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.85 1pkt h THR 62 Cb 1.45 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1pkt h THR 62 CO -0.49 0.00 0.00 0.35 0.37 0.00 0.00 175.52 175.75 1pkt n THR 63 N -5.41 2.00 -4.16 3.16 -2.24 -0.01 -4.97 114.28 102.65 1pkt n THR 63 Ca 0.02 -1.53 -0.37 0.00 -2.27 0.00 0.00 64.05 59.89 1pkt n THR 63 Cb 0.33 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.09 -0.47 2.84 3.38 0.00 0.48 -4.92 105.19 106.59 1pkt n GLY 64 Ca 0.21 0.25 -0.28 0.00 0.00 0.00 0.00 46.02 46.20 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 -7.29 1.15 -0.12 1.61 2.02 -0.99 -4.93 118.70 110.16 1pkt s GLU 65 Ca 0.23 -0.59 -0.19 0.00 0.02 0.00 0.00 54.97 54.43 1pkt s GLU 65 Cb -0.12 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 1pkt s GLU 65 CO 0.97 -0.56 0.53 0.50 0.02 0.00 0.00 175.26 176.72 1pkt s ARG 66 N 1.66 4.35 0.00 1.61 3.52 -1.26 -1.70 118.95 127.13 1pkt s ARG 66 Ca -0.02 0.53 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 1pkt s ARG 66 Cb -0.17 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1pkt s ARG 66 CO -0.07 0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 1pkt n GLY 67 N 3.29 0.64 3.98 8.12 0.00 -0.99 -4.84 105.19 115.39 1pkt n GLY 67 Ca -0.06 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 0.35 5.55 -0.05 1.61 1.01 -1.04 -1.91 116.67 122.18 1pkt s ASP 68 Ca 0.00 -0.05 -0.30 0.00 0.71 0.00 0.00 52.55 52.91 1pkt s ASP 68 Cb 0.00 -1.01 0.11 0.00 1.01 0.00 0.00 42.92 43.03 1pkt s ASP 68 CO 0.00 -0.89 0.95 0.72 0.21 0.00 0.00 175.17 176.16 1pkt s PHE 69 N -2.57 -0.32 0.13 4.23 -0.71 -0.01 -2.10 117.98 116.64 1pkt s PHE 69 Ca 0.54 0.26 -0.31 0.00 -1.04 0.00 0.00 56.93 56.37 1pkt s PHE 69 Cb -0.10 0.52 -0.11 0.00 -1.21 0.00 0.00 43.02 42.13 1pkt s PHE 69 CO 0.36 -0.47 1.84 -2.14 -1.34 0.00 0.00 175.22 173.48 1pkt s PRO 70 N -2.73 4.13 0.15 1.99 0.02 -1.26 -1.70 135.00 135.59 1pkt s PRO 70 Ca 0.05 2.62 -0.11 0.00 0.02 0.00 0.00 61.00 63.58 1pkt s PRO 70 Cb -0.01 -3.58 -0.03 0.00 0.02 0.00 0.00 34.50 30.90 1pkt s PRO 70 CO -0.07 -0.85 1.48 0.78 -0.33 0.00 0.00 177.00 178.01 1pkt h GLY 71 N 8.57 1.03 2.00 0.52 0.00 -1.47 -2.43 103.07 111.29 1pkt h GLY 71 Ca -0.46 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 45.82 1pkt h GLY 71 CO 0.95 0.94 0.00 -1.30 0.00 0.00 0.00 176.54 177.13 1pkt n THR 72 N -4.06 1.40 -0.20 4.70 -2.24 -0.77 -1.27 114.28 111.85 1pkt n THR 72 Ca -0.02 0.40 0.07 0.00 -2.27 0.00 0.00 64.05 62.24 1pkt n THR 72 Cb 0.54 -1.30 0.29 0.00 -2.10 0.00 0.00 70.33 67.76 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 -1.66 1.25 -3.94 4.78 4.02 -0.91 -4.89 117.16 115.81 1pkt n TYR 73 Ca 0.01 -0.49 0.00 0.00 -0.01 0.00 0.00 57.90 57.42 1pkt n TYR 73 Cb 0.09 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.18 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 0.80 0.00 -3.19 -0.72 0.24 -0.40 -1.57 118.33 113.50 1pkt n VAL 74 Ca 0.21 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.49 1pkt n VAL 74 Cb 0.77 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.12 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 -1.81 0.82 0.11 7.34 -1.05 -0.49 -4.75 118.70 118.87 1pkt s GLU 75 Ca 0.00 -0.43 -0.27 0.00 -0.15 0.00 0.00 54.97 54.12 1pkt s GLU 75 Cb 0.00 -0.04 -0.15 0.00 -0.44 0.00 0.00 34.13 33.50 1pkt s GLU 75 CO 0.00 -1.21 0.61 0.98 0.95 0.00 0.00 175.26 176.60 1pkt n TYR 76 N 4.25 -0.05 -0.06 4.83 9.36 -1.26 -2.37 117.16 131.85 1pkt n TYR 76 Ca 0.12 0.85 0.00 0.00 3.32 0.00 0.00 57.90 62.19 1pkt n TYR 76 Cb 0.55 -1.69 0.00 0.00 -0.63 0.00 0.00 39.34 37.57 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 0.48 0.00 0.00 2.97 2.08 -0.55 -4.82 119.36 119.52 1pkt n ILE 77 Ca 0.16 -0.34 0.00 0.00 0.56 0.00 0.00 62.75 63.13 1pkt n ILE 77 Cb 0.16 1.06 0.00 0.00 -0.75 0.00 0.00 39.64 40.11 1pkt n ILE 77 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1pkt n GLY 78 N 0.56 1.23 0.15 7.39 0.00 -1.12 -5.01 105.19 108.39 1pkt n GLY 78 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 46.02 45.05 1pkt n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36