#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 -0.96 3.57 -1.84 0.00 -1.26 -4.71 105.19 99.98 1pkt n GLY 5 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.00 -0.72 -0.25 1.61 2.02 0.24 -4.83 117.35 111.41 1pkt s TYR 6 Ca 0.00 1.71 -0.05 0.00 -0.37 0.00 0.00 57.07 58.37 1pkt s TYR 6 Cb 0.00 0.27 0.13 0.00 -0.40 0.00 0.00 41.96 41.96 1pkt s TYR 6 CO 0.00 -0.38 0.48 -1.14 -1.57 0.00 0.00 175.55 172.94 1pkt s GLN 7 N 0.17 0.43 0.43 -0.62 0.74 0.58 0.57 119.66 121.94 1pkt s GLN 7 Ca -0.01 0.92 0.07 0.00 0.05 0.00 0.00 55.36 56.39 1pkt s GLN 7 Cb -0.04 0.19 -0.03 0.00 1.10 0.00 0.00 33.01 34.23 1pkt s GLN 7 CO 0.02 -0.46 0.31 0.71 -0.55 0.00 0.00 175.29 175.32 1pkt s TYR 8 N 2.69 2.56 -0.25 1.67 2.02 -0.88 -2.09 117.35 123.07 1pkt s TYR 8 Ca 0.08 -0.57 -0.03 0.00 -0.37 0.00 0.00 57.07 56.18 1pkt s TYR 8 Cb -0.14 -2.07 0.01 0.00 -0.40 0.00 0.00 41.96 39.37 1pkt s TYR 8 CO -0.17 -0.05 -0.03 0.50 -1.57 0.00 0.00 175.55 174.24 1pkt s ARG 9 N -4.06 3.06 0.89 -0.62 6.06 -1.03 -2.55 118.95 120.70 1pkt s ARG 9 Ca 0.44 -0.84 -0.16 0.00 -2.50 0.00 0.00 55.73 52.67 1pkt s ARG 9 Cb -0.00 -3.07 -0.10 0.00 0.06 0.00 0.00 34.95 31.84 1pkt s ARG 9 CO 0.25 -0.34 -0.35 0.00 -2.50 0.00 0.00 175.30 172.35 1pkt n ALA 10 N 4.75 -4.24 0.00 6.12 0.00 -0.41 -1.91 120.51 124.81 1pkt n ALA 10 Ca -0.17 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1pkt n ALA 10 Cb 0.48 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1pkt n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pkt n LEU 11 N 2.08 0.54 -4.51 0.00 4.77 0.14 -3.58 117.00 116.44 1pkt n LEU 11 Ca 0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.76 1pkt n LEU 11 Cb 0.54 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 1pkt n LEU 11 CO 0.52 0.04 -0.28 -0.31 -1.33 0.00 0.00 177.39 176.04 1pkt s TYR 12 N -1.30 2.16 -0.11 -1.77 1.51 -1.04 -4.24 117.35 112.55 1pkt s TYR 12 Ca 0.00 -0.86 -0.05 0.00 -1.01 0.00 0.00 57.07 55.15 1pkt s TYR 12 Cb 0.00 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1pkt s TYR 12 CO 0.00 0.16 0.08 0.16 -1.11 0.00 0.00 175.55 174.84 1pkt s ASP 13 N -3.56 5.90 -0.04 2.29 1.47 -1.26 -3.18 116.67 118.30 1pkt s ASP 13 Ca 0.36 0.32 0.01 0.00 1.18 0.00 0.00 52.55 54.42 1pkt s ASP 13 Cb 0.09 -1.83 0.02 0.00 -0.34 0.00 0.00 42.92 40.86 1pkt s ASP 13 CO 0.16 0.38 -0.04 -0.47 0.68 0.00 0.00 175.17 175.88 1pkt s TYR 14 N -0.89 0.68 -0.22 2.11 5.04 -0.41 -4.91 117.35 118.74 1pkt s TYR 14 Ca 0.14 -0.17 -0.29 0.00 -2.44 0.00 0.00 57.07 54.31 1pkt s TYR 14 Cb -0.12 -0.59 0.01 0.00 0.35 0.00 0.00 41.96 41.61 1pkt s TYR 14 CO 0.03 -0.15 1.04 0.15 -1.34 0.00 0.00 175.55 175.27 1pkt s LYS 15 N 0.75 4.27 -0.79 4.97 1.02 -1.26 -1.52 119.74 127.18 1pkt s LYS 15 Ca -0.10 1.36 -0.24 0.00 0.02 0.00 0.00 55.97 57.02 1pkt s LYS 15 Cb -0.13 -3.63 -0.16 0.00 -0.52 0.00 0.00 37.83 33.39 1pkt s LYS 15 CO 0.00 -0.61 2.39 0.36 -0.92 0.00 0.00 175.35 176.57 1pkt n LYS 16 N 6.22 0.52 0.03 1.68 2.85 -1.24 -4.79 118.16 123.44 1pkt n LYS 16 Ca 0.12 -0.58 -0.02 0.00 -1.05 0.00 0.00 58.31 56.78 1pkt n LYS 16 Cb 0.46 -3.19 -0.01 0.00 -0.65 0.00 0.00 35.03 31.64 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 13.41 -0.11 -6.74 -1.58 5.08 -1.89 -3.43 114.58 119.32 1pkt h GLU 17 Ca -0.03 0.01 -0.49 0.00 -1.00 0.00 0.00 59.36 57.85 1pkt h GLU 17 Cb 1.07 0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.36 1pkt h GLU 17 CO 1.13 -0.07 -0.02 0.50 -1.00 0.00 0.00 179.01 179.55 1pkt s ARG 18 N -3.30 3.54 0.20 2.33 3.52 -1.26 -4.93 118.95 119.04 1pkt s ARG 18 Ca -0.02 -0.01 0.14 0.00 -0.13 0.00 0.00 55.73 55.71 1pkt s ARG 18 Cb 0.00 -2.51 0.73 0.00 -1.56 0.00 0.00 34.95 31.62 1pkt s ARG 18 CO 0.06 -0.03 1.42 0.39 -0.81 0.00 0.00 175.30 176.33 1pkt n GLU 19 N -1.93 0.09 0.10 5.12 1.02 -1.26 -1.32 120.64 122.46 1pkt n GLU 19 Ca -0.02 0.58 -0.05 0.00 -0.02 0.00 0.00 57.16 57.66 1pkt n GLU 19 Cb 0.55 -1.78 0.08 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.10 -6.12 3.49 4.81 -1.94 -3.44 114.58 111.48 1pkt h GLU 20 Ca 0.00 -0.09 -0.59 0.00 -0.13 0.00 0.00 59.36 58.56 1pkt h GLU 20 Cb 0.01 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 1pkt h GLU 20 CO 0.00 0.78 -0.33 0.16 -0.73 0.00 0.00 179.01 178.89 1pkt s ASP 21 N -6.86 6.49 0.51 1.04 1.47 -0.44 -2.26 116.67 116.62 1pkt s ASP 21 Ca -0.02 0.57 0.07 0.00 1.18 0.00 0.00 52.55 54.35 1pkt s ASP 21 Cb 0.12 -2.08 0.04 0.00 -0.34 0.00 0.00 42.92 40.65 1pkt s ASP 21 CO 0.79 0.09 0.53 0.27 0.68 0.00 0.00 175.17 177.53 1pkt s ILE 22 N -1.60 2.15 -0.33 2.11 -5.25 -1.04 -4.56 121.20 112.67 1pkt s ILE 22 Ca 0.39 -1.27 -0.29 0.00 -0.99 0.00 0.00 60.65 58.49 1pkt s ILE 22 Cb -0.12 -2.42 0.02 0.00 2.95 0.00 0.00 42.46 42.89 1pkt s ILE 22 CO 0.24 0.00 1.07 -1.81 -1.79 0.00 0.00 174.94 172.65 1pkt s ASP 23 N -4.37 6.90 0.11 4.36 1.11 -1.26 -3.61 116.67 119.91 1pkt s ASP 23 Ca 0.48 0.98 -0.08 0.00 0.18 0.00 0.00 52.55 54.10 1pkt s ASP 23 Cb -0.04 -2.54 -0.06 0.00 1.07 0.00 0.00 42.92 41.35 1pkt s ASP 23 CO 0.29 -0.91 0.41 -0.76 1.18 0.00 0.00 175.17 175.38 1pkt s LEU 24 N 3.72 4.30 -0.19 1.23 2.01 -0.58 -4.89 118.68 124.28 1pkt s LEU 24 Ca 0.45 0.76 -0.09 0.00 0.01 0.00 0.00 54.13 55.26 1pkt s LEU 24 Cb -0.12 -3.16 0.07 0.00 0.01 0.00 0.00 46.19 42.99 1pkt s LEU 24 CO 0.17 0.11 0.44 -1.00 1.01 0.00 0.00 176.35 177.08 1pkt s HIS 25 N -1.52 -0.70 0.27 0.29 3.76 -1.23 -1.29 115.29 114.87 1pkt s HIS 25 Ca 0.37 1.43 -0.27 0.00 -0.15 0.00 0.00 55.06 56.44 1pkt s HIS 25 Cb -0.13 0.31 -0.15 0.00 1.11 0.00 0.00 32.58 33.72 1pkt s HIS 25 CO 0.20 -0.40 0.63 -0.11 -0.85 0.00 0.00 174.74 174.22 1pkt n LEU 26 N 4.54 -0.34 0.00 0.89 0.00 -1.19 -0.39 117.00 120.51 1pkt n LEU 26 Ca -0.20 1.09 0.00 0.00 0.00 0.00 0.00 56.01 56.91 1pkt n LEU 26 Cb 0.54 -1.06 0.00 0.00 0.00 0.00 0.00 43.42 42.90 1pkt n LEU 26 CO 0.05 -2.61 0.00 0.61 0.00 0.00 0.00 177.39 175.44 1pkt n GLY 27 N 1.77 0.85 3.84 -3.96 0.00 -1.24 -4.91 105.19 101.55 1pkt n GLY 27 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.89 6.72 -0.22 1.61 -1.08 0.48 -4.87 116.67 116.42 1pkt s ASP 28 Ca 0.00 1.46 -0.08 0.00 -0.52 0.00 0.00 52.55 53.41 1pkt s ASP 28 Cb 0.00 -2.45 -0.04 0.00 -1.46 0.00 0.00 42.92 38.97 1pkt s ASP 28 CO 0.00 -0.42 0.08 -0.63 0.52 0.00 0.00 175.17 174.72 1pkt s ILE 29 N -2.33 4.64 -0.35 4.11 -1.09 -1.26 -1.29 121.20 123.62 1pkt s ILE 29 Ca 0.57 -0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.88 1pkt s ILE 29 Cb -0.10 -3.14 0.07 0.00 -1.58 0.00 0.00 42.46 37.71 1pkt s ILE 29 CO 0.24 0.38 0.11 -0.76 -1.23 0.00 0.00 174.94 173.68 1pkt s LEU 30 N 1.06 4.52 -0.77 2.97 1.02 -1.06 -1.77 118.68 124.66 1pkt s LEU 30 Ca 0.05 -1.46 -0.21 0.00 0.02 0.00 0.00 54.13 52.53 1pkt s LEU 30 Cb -0.14 -1.82 0.10 0.00 0.02 0.00 0.00 46.19 44.34 1pkt s LEU 30 CO 0.03 -0.39 1.02 -0.89 0.02 0.00 0.00 176.35 176.15 1pkt s THR 31 N 1.29 4.51 -0.33 5.49 2.01 -0.70 -2.07 115.64 125.83 1pkt s THR 31 Ca 0.00 -0.90 -0.18 0.00 0.31 0.00 0.00 61.69 60.93 1pkt s THR 31 Cb -0.21 -4.72 -0.01 0.00 0.01 0.00 0.00 72.50 67.57 1pkt s THR 31 CO -0.00 -1.47 0.50 -0.69 -0.69 0.00 0.00 174.62 172.27 1pkt s VAL 32 N 3.44 5.04 0.79 3.82 1.01 0.19 -1.67 120.40 133.03 1pkt s VAL 32 Ca 0.26 0.43 -0.07 0.00 0.00 0.00 0.00 61.98 62.61 1pkt s VAL 32 Cb -0.12 -3.92 0.17 0.00 0.00 0.00 0.00 36.38 32.50 1pkt s VAL 32 CO 0.02 -0.15 1.09 0.59 0.00 0.00 0.00 175.10 176.65 1pkt n ASN 33 N 5.68 0.81 -4.80 3.32 4.13 -1.26 0.81 115.26 123.95 1pkt n ASN 33 Ca -0.05 -1.83 -0.35 0.00 1.68 0.00 0.00 54.58 54.03 1pkt n ASN 33 Cb 0.49 -0.76 -0.07 0.00 -1.54 0.00 0.00 39.78 37.90 1pkt n ASN 33 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1pkt s LYS 34 N -5.31 4.41 0.00 3.52 0.00 -1.26 -3.68 119.74 117.41 1pkt s LYS 34 Ca 0.67 1.21 0.00 0.00 0.00 0.00 0.00 55.97 57.85 1pkt s LYS 34 Cb -0.03 -2.53 0.00 0.00 0.00 0.00 0.00 37.83 35.28 1pkt s LYS 34 CO 0.45 0.15 0.00 0.41 0.00 0.00 0.00 175.35 176.36 1pkt n GLY 35 N 0.02 2.17 0.34 0.59 0.00 -1.26 -4.61 105.19 102.44 1pkt n GLY 35 Ca 0.04 -0.38 0.19 0.00 0.00 0.00 0.00 46.02 45.87 1pkt n GLY 35 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pkt h SER 36 N 0.00 0.00 0.30 1.61 0.02 -1.93 0.01 113.55 113.57 1pkt h SER 36 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1pkt h SER 36 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1pkt h SER 36 CO 0.00 0.00 -1.85 -0.11 -1.14 0.00 0.00 176.83 173.73 1pkt n LEU 37 N -3.15 1.81 0.00 5.07 7.94 -1.24 -3.79 117.00 123.64 1pkt n LEU 37 Ca -0.02 0.31 0.11 0.00 -1.11 0.00 0.00 56.01 55.30 1pkt n LEU 37 Cb 0.22 -0.52 0.62 0.00 0.53 0.00 0.00 43.42 44.28 1pkt n LEU 37 CO 0.19 0.63 0.86 0.52 -1.11 0.00 0.00 177.39 178.48 1pkt n VAL 38 N -3.28 0.00 0.10 1.96 0.31 -0.08 -3.55 118.33 113.79 1pkt n VAL 38 Ca -0.25 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.13 1pkt n VAL 38 Cb 1.05 -0.45 0.25 0.00 -0.91 0.00 0.00 33.84 33.78 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 -0.88 1.07 -1.37 3.52 0.00 -0.76 -1.71 120.51 120.38 1pkt n ALA 39 Ca 0.16 0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 1pkt n ALA 39 Cb 0.07 -1.14 0.11 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.80 6.97 -1.87 0.00 7.99 -1.23 -4.85 117.00 122.21 1pkt n LEU 40 Ca -0.00 -4.11 -0.09 0.00 -0.01 0.00 0.00 56.01 51.80 1pkt n LEU 40 Cb 0.03 -0.86 -0.02 0.00 -0.11 0.00 0.00 43.42 42.46 1pkt n LEU 40 CO 0.05 1.40 -0.10 0.61 -1.51 0.00 0.00 177.39 177.84 1pkt n GLY 41 N -0.98 0.15 2.44 -0.72 0.00 -0.69 -4.86 105.19 100.53 1pkt n GLY 41 Ca 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.37 -2.10 -3.98 1.61 3.72 -1.25 -4.96 117.46 108.14 1pkt n PHE 42 Ca -0.10 0.04 -0.31 0.00 -0.05 0.00 0.00 57.45 57.03 1pkt n PHE 42 Cb 0.44 -1.10 -0.15 0.00 -0.94 0.00 0.00 39.48 37.72 1pkt n PHE 42 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1pkt s SER 43 N -1.81 4.32 -0.39 4.37 0.01 -1.26 -5.02 113.70 113.93 1pkt s SER 43 Ca 0.24 -1.58 -0.05 0.00 1.31 0.00 0.00 55.95 55.87 1pkt s SER 43 Cb -0.04 -1.40 -0.12 0.00 0.21 0.00 0.00 66.02 64.67 1pkt s SER 43 CO 0.20 -0.28 0.86 -0.67 0.41 0.00 0.00 173.24 173.76 1pkt n ASP 44 N 4.49 -0.46 0.00 2.44 -0.08 -1.26 -1.14 116.55 120.53 1pkt n ASP 44 Ca -0.07 -0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.04 1pkt n ASP 44 Cb 0.43 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 43.66 1pkt n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pkt n GLY 45 N 2.18 0.78 0.34 0.27 0.00 -1.26 -4.96 105.19 102.54 1pkt n GLY 45 Ca 0.26 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.42 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 1.17 -0.30 1.61 0.00 -0.29 -4.30 117.38 115.27 1pkt n GLN 46 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 57.00 56.36 1pkt n GLN 46 Cb 0.00 -1.49 0.12 0.00 0.00 0.00 0.00 30.24 28.87 1pkt n GLN 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1pkt h GLU 47 N 1.66 0.00 -1.88 2.61 9.09 -1.93 0.67 114.58 124.79 1pkt h GLU 47 Ca 0.00 -0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.10 1pkt h GLU 47 Cb 0.50 -0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 27.48 1pkt h GLU 47 CO 0.00 0.00 0.14 0.00 0.05 0.00 0.00 179.01 179.21 1pkt n ALA 48 N -3.38 5.80 -2.91 1.06 0.00 -1.26 -4.23 120.51 115.59 1pkt n ALA 48 Ca 0.13 -2.01 -0.13 0.00 0.00 0.00 0.00 53.44 51.44 1pkt n ALA 48 Cb 0.44 -1.86 0.04 0.00 0.00 0.00 0.00 19.45 18.08 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 1.25 1.01 -0.07 0.00 0.63 0.23 -4.91 116.66 114.81 1pkt n ARG 49 Ca 0.37 -2.55 -0.10 0.00 -0.92 0.00 0.00 57.85 54.65 1pkt n ARG 49 Cb 0.65 -1.28 -0.02 0.00 0.45 0.00 0.00 32.46 32.26 1pkt n ARG 49 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1pkt h PRO 50 N 2.96 0.33 -0.73 -0.14 0.13 -1.75 -2.64 132.00 130.17 1pkt h PRO 50 Ca -0.03 -0.02 0.16 0.00 -0.87 0.00 0.00 66.00 65.25 1pkt h PRO 50 Cb 1.06 -0.08 -0.12 0.00 0.13 0.00 0.00 31.00 31.99 1pkt h PRO 50 CO 0.28 0.22 0.08 1.05 -0.23 0.00 0.00 178.00 179.41 1pkt h GLU 51 N 0.34 0.16 -1.78 0.86 4.11 -1.85 0.11 114.58 116.53 1pkt h GLU 51 Ca 0.09 -0.01 -0.73 0.00 0.07 0.00 0.00 59.36 58.78 1pkt h GLU 51 Cb -0.04 -0.04 -0.27 0.00 0.50 0.00 0.00 28.75 28.91 1pkt h GLU 51 CO -0.02 0.11 0.99 -1.91 0.07 0.00 0.00 179.01 178.25 1pkt n GLU 52 N -5.26 2.71 0.00 1.06 2.13 -1.01 -4.27 120.64 116.00 1pkt n GLU 52 Ca 0.13 -3.40 0.00 0.00 0.66 0.00 0.00 57.16 54.55 1pkt n GLU 52 Cb 0.46 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.91 1pkt n GLU 52 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1pkt n ILE 53 N -0.55 0.00 0.00 6.31 5.41 0.37 -4.99 119.36 125.90 1pkt n ILE 53 Ca 0.55 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.30 1pkt n ILE 53 Cb 0.34 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 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 2.41 2.20 2.87 7.39 0.00 -1.19 -4.95 105.19 113.92 1pkt n GLY 54 Ca 0.00 -0.66 -0.14 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 0.17 0.37 1.61 0.52 -1.26 -2.55 118.94 117.80 1pkt s TRP 55 Ca 0.00 -0.01 0.07 0.00 0.02 0.00 0.00 56.10 56.18 1pkt s TRP 55 Cb 0.00 -0.17 -0.07 0.00 -1.15 0.00 0.00 33.47 32.08 1pkt s TRP 55 CO 0.00 -0.03 -0.02 -0.51 0.02 0.00 0.00 176.95 176.41 1pkt s LEU 56 N 0.24 2.70 -0.19 2.99 1.02 -0.87 -4.90 118.68 119.68 1pkt s LEU 56 Ca -0.02 -1.31 0.01 0.00 0.02 0.00 0.00 54.13 52.83 1pkt s LEU 56 Cb -0.04 -0.82 0.02 0.00 0.02 0.00 0.00 46.19 45.37 1pkt s LEU 56 CO -0.01 -0.40 -0.19 0.21 0.02 0.00 0.00 176.35 175.99 1pkt s ASN 57 N -3.62 3.25 0.10 2.29 3.04 -1.26 -1.68 114.94 117.06 1pkt s ASN 57 Ca 0.34 -0.68 0.01 0.00 0.04 0.00 0.00 52.86 52.57 1pkt s ASN 57 Cb 0.07 -1.50 -0.00 0.00 -1.54 0.00 0.00 41.25 38.28 1pkt s ASN 57 CO 0.17 -0.01 0.12 0.61 -3.04 0.00 0.00 177.10 174.94 1pkt n GLY 58 N 4.62 3.25 3.16 1.21 0.00 -0.95 -4.48 105.19 111.99 1pkt n GLY 58 Ca -0.21 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.42 3.30 -1.12 1.61 5.04 -0.67 -2.47 117.35 119.62 1pkt s TYR 59 Ca 0.10 -1.94 -0.21 0.00 -2.44 0.00 0.00 57.07 52.58 1pkt s TYR 59 Cb 0.00 -2.19 0.05 0.00 0.35 0.00 0.00 41.96 40.16 1pkt s TYR 59 CO 0.07 -0.82 1.60 -0.80 -1.34 0.00 0.00 175.55 174.27 1pkt s ASN 60 N 1.28 6.50 0.36 4.32 -0.87 -0.98 -1.73 114.94 123.81 1pkt s ASN 60 Ca -0.04 -1.79 0.07 0.00 -1.57 0.00 0.00 52.86 49.53 1pkt s ASN 60 Cb -0.20 -2.57 0.78 0.00 -0.02 0.00 0.00 41.25 39.23 1pkt s ASN 60 CO -0.01 -1.51 1.91 -0.33 -2.57 0.00 0.00 177.10 174.58 1pkt h GLU 61 N 9.05 0.71 -0.86 -0.60 5.08 -1.66 1.18 114.58 127.48 1pkt h GLU 61 Ca 0.29 -0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.77 1pkt h GLU 61 Cb 0.95 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 1pkt h GLU 61 CO 1.42 0.47 0.56 1.15 -1.00 0.00 0.00 179.01 181.61 1pkt h THR 62 N 0.73 0.78 -0.12 1.13 2.02 -1.87 -1.27 112.91 114.31 1pkt h THR 62 Ca 0.39 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1pkt h THR 62 Cb 0.51 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1pkt h THR 62 CO -0.15 0.10 0.00 0.35 0.37 0.00 0.00 175.52 176.19 1pkt n THR 63 N -4.53 1.05 -4.13 3.16 -2.24 -0.07 -4.99 114.28 102.53 1pkt n THR 63 Ca 0.17 -1.06 -0.35 0.00 -2.27 0.00 0.00 64.05 60.54 1pkt n THR 63 Cb 0.54 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 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 -0.21 -0.43 2.72 3.38 0.00 0.39 -4.93 105.19 106.10 1pkt n GLY 64 Ca 0.05 0.25 -0.20 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 -7.14 0.04 0.00 1.61 2.02 -0.99 -4.98 118.70 109.27 1pkt s GLU 65 Ca 0.20 0.27 -0.19 0.00 0.02 0.00 0.00 54.97 55.27 1pkt s GLU 65 Cb -0.10 -0.95 -0.06 0.00 0.10 0.00 0.00 34.13 33.12 1pkt s GLU 65 CO 0.96 -0.48 0.54 0.50 0.02 0.00 0.00 175.26 176.80 1pkt s ARG 66 N 2.23 4.21 0.00 1.61 3.52 -1.26 -2.33 118.95 126.92 1pkt s ARG 66 Ca 0.04 0.63 0.00 0.00 -0.13 0.00 0.00 55.73 56.27 1pkt s ARG 66 Cb -0.14 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1pkt s ARG 66 CO -0.07 0.48 0.00 0.41 -0.81 0.00 0.00 175.30 175.31 1pkt n GLY 67 N 2.22 -0.59 3.97 8.12 0.00 -1.03 -4.87 105.19 113.01 1pkt n GLY 67 Ca -0.09 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 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 5.96 0.04 1.61 1.01 -0.96 -2.25 116.67 118.09 1pkt s ASP 68 Ca 0.00 0.11 -0.27 0.00 0.71 0.00 0.00 52.55 53.10 1pkt s ASP 68 Cb 0.00 -1.49 0.09 0.00 1.01 0.00 0.00 42.92 42.53 1pkt s ASP 68 CO 0.00 -0.52 0.78 0.72 0.21 0.00 0.00 175.17 176.36 1pkt s PHE 69 N -2.35 -0.43 -0.04 4.23 -0.71 -0.68 -2.50 117.98 115.50 1pkt s PHE 69 Ca 0.45 0.32 -0.29 0.00 -1.04 0.00 0.00 56.93 56.37 1pkt s PHE 69 Cb -0.10 0.54 -0.07 0.00 -1.21 0.00 0.00 43.02 42.17 1pkt s PHE 69 CO 0.35 -0.65 1.99 -2.14 -1.34 0.00 0.00 175.22 173.43 1pkt s PRO 70 N -3.14 3.89 0.26 1.99 0.02 -1.26 -2.06 135.00 134.70 1pkt s PRO 70 Ca 0.02 2.40 0.02 0.00 0.02 0.00 0.00 61.00 63.46 1pkt s PRO 70 Cb -0.01 -4.19 0.35 0.00 0.02 0.00 0.00 34.50 30.67 1pkt s PRO 70 CO -0.09 -1.24 1.68 0.78 -0.33 0.00 0.00 177.00 177.80 1pkt h GLY 71 N 11.69 0.53 2.00 0.52 0.00 -1.71 -2.43 103.07 113.68 1pkt h GLY 71 Ca -0.46 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.40 1pkt h GLY 71 CO 0.95 0.43 0.00 -0.91 0.00 0.00 0.00 176.54 177.00 1pkt h THR 72 N 0.42 0.00 -0.41 4.70 1.35 -1.79 -1.24 112.91 115.94 1pkt h THR 72 Ca 0.05 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1pkt h THR 72 Cb 0.75 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1pkt h THR 72 CO 0.06 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.11 1pkt n TYR 73 N -3.08 1.26 -4.39 4.73 4.02 -0.91 -4.84 117.16 113.95 1pkt n TYR 73 Ca -0.02 -0.46 -0.19 0.00 -0.01 0.00 0.00 57.90 57.22 1pkt n TYR 73 Cb 0.14 -0.30 -0.10 0.00 -0.02 0.00 0.00 39.34 39.06 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 -2.02 0.89 -0.39 -0.72 -7.23 -0.47 0.25 120.40 110.71 1pkt s VAL 74 Ca 0.36 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1pkt s VAL 74 Cb 0.26 -2.72 0.15 0.00 0.56 0.00 0.00 36.38 34.63 1pkt s VAL 74 CO 0.13 0.00 0.25 -1.83 -0.31 0.00 0.00 175.10 173.35 1pkt s GLU 75 N -3.95 0.81 0.24 4.82 -1.05 -0.80 -4.77 118.70 114.00 1pkt s GLU 75 Ca 0.37 -1.68 -0.27 0.00 -0.15 0.00 0.00 54.97 53.24 1pkt s GLU 75 Cb 0.08 -1.56 -0.16 0.00 -0.44 0.00 0.00 34.13 32.04 1pkt s GLU 75 CO 0.15 -1.25 0.50 0.98 0.95 0.00 0.00 175.26 176.59 1pkt n TYR 76 N 3.62 -0.56 -0.97 4.83 9.36 -1.26 -2.45 117.16 129.73 1pkt n TYR 76 Ca 0.16 0.89 0.00 0.00 3.32 0.00 0.00 57.90 62.27 1pkt n TYR 76 Cb 0.39 -1.96 0.00 0.00 -0.63 0.00 0.00 39.34 37.14 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 -0.15 0.03 -0.53 2.97 5.41 -0.89 -4.83 119.36 121.37 1pkt n ILE 77 Ca 0.16 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.88 1pkt n ILE 77 Cb 0.28 1.08 0.00 0.00 -0.71 0.00 0.00 39.64 40.29 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 -0.01 0.97 0.75 7.39 0.00 -1.19 -4.98 105.19 108.11 1pkt n GLY 78 Ca 0.00 -1.54 0.09 0.00 0.00 0.00 0.00 46.02 44.57 1pkt n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36