#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 0.35 3.56 0.62 0.00 -1.26 -4.78 105.19 103.67 1pkt n GLY 5 Ca 0.00 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.68 2.40 -0.21 1.61 2.02 0.98 -4.71 117.35 117.77 1pkt s TYR 6 Ca 0.00 0.16 -0.10 0.00 -0.37 0.00 0.00 57.07 56.75 1pkt s TYR 6 Cb 0.00 -4.58 -0.05 0.00 -0.40 0.00 0.00 41.96 36.93 1pkt s TYR 6 CO 0.00 -1.88 0.14 -0.65 -1.57 0.00 0.00 175.55 171.59 1pkt s GLN 7 N 5.44 4.16 0.47 -0.62 1.11 -1.05 -1.78 119.66 127.39 1pkt s GLN 7 Ca 0.39 -0.23 0.03 0.00 0.01 0.00 0.00 55.36 55.56 1pkt s GLN 7 Cb -0.08 -3.45 -0.03 0.00 -1.01 0.00 0.00 33.01 28.44 1pkt s GLN 7 CO 0.19 0.24 0.02 0.71 0.01 0.00 0.00 175.29 176.47 1pkt s TYR 8 N 0.52 1.99 -0.17 0.91 2.02 -0.68 -0.07 117.35 121.87 1pkt s TYR 8 Ca 0.08 -0.95 0.01 0.00 -0.37 0.00 0.00 57.07 55.84 1pkt s TYR 8 Cb -0.12 -1.56 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 1pkt s TYR 8 CO -0.00 0.19 -0.18 1.03 -1.57 0.00 0.00 175.55 175.01 1pkt s ARG 9 N -3.82 3.09 -0.83 -0.62 1.81 -0.90 -0.86 118.95 116.81 1pkt s ARG 9 Ca 0.15 -0.80 -0.25 0.00 -1.72 0.00 0.00 55.73 53.12 1pkt s ARG 9 Cb 0.04 -2.59 -0.03 0.00 -0.45 0.00 0.00 34.95 31.92 1pkt s ARG 9 CO 0.08 -0.11 1.86 0.00 -0.68 0.00 0.00 175.30 176.45 1pkt s ALA 10 N 1.08 1.92 0.11 2.13 0.00 -0.54 -0.65 121.76 125.81 1pkt s ALA 10 Ca -0.00 -1.34 -0.21 0.00 0.00 0.00 0.00 51.96 50.41 1pkt s ALA 10 Cb -0.14 -4.48 -0.07 0.00 0.00 0.00 0.00 23.12 18.43 1pkt s ALA 10 CO -0.06 -4.42 1.74 -0.07 0.00 0.00 0.00 175.76 172.94 1pkt h LEU 11 N 16.90 -0.00-10.47 0.00 3.38 -0.10 -2.36 115.31 122.66 1pkt h LEU 11 Ca -0.00 0.02 -0.51 0.00 0.09 0.00 0.00 57.88 57.48 1pkt h LEU 11 Cb 1.05 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1pkt h LEU 11 CO 1.23 0.02 -0.21 -0.31 0.09 0.00 0.00 178.44 179.26 1pkt s TYR 12 N -6.19 1.76 0.22 1.13 2.02 -1.05 -4.02 117.35 111.23 1pkt s TYR 12 Ca -0.13 -0.71 0.02 0.00 -0.37 0.00 0.00 57.07 55.89 1pkt s TYR 12 Cb 0.08 -2.12 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 1pkt s TYR 12 CO 0.68 -0.74 0.20 -0.40 -1.57 0.00 0.00 175.55 173.72 1pkt n ASP 13 N -1.96 1.47 -3.63 2.29 5.75 -1.26 -3.50 116.55 115.70 1pkt n ASP 13 Ca 0.08 -1.72 -0.13 0.00 -0.01 0.00 0.00 54.79 53.02 1pkt n ASP 13 Cb 0.62 -0.06 -0.07 0.00 -1.03 0.00 0.00 41.12 40.59 1pkt n ASP 13 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1pkt s TYR 14 N -0.91 -0.70 -0.08 2.11 5.04 -0.73 -4.74 117.35 117.35 1pkt s TYR 14 Ca 0.15 1.69 -0.18 0.00 -2.44 0.00 0.00 57.07 56.30 1pkt s TYR 14 Cb -0.01 0.30 -0.05 0.00 0.35 0.00 0.00 41.96 42.55 1pkt s TYR 14 CO 0.10 -0.34 0.47 0.15 -1.34 0.00 0.00 175.55 174.59 1pkt s LYS 15 N 0.30 4.25 -0.84 4.97 1.02 -1.26 -0.95 119.74 127.23 1pkt s LYS 15 Ca 0.01 0.47 -0.22 0.00 0.02 0.00 0.00 55.97 56.24 1pkt s LYS 15 Cb -0.05 -3.38 -0.18 0.00 -0.52 0.00 0.00 37.83 33.70 1pkt s LYS 15 CO -0.01 0.31 2.31 1.17 -0.92 0.00 0.00 175.35 178.21 1pkt n LYS 16 N 3.12 0.40 -0.10 1.68 4.81 -1.26 -4.64 118.16 122.17 1pkt n LYS 16 Ca -0.09 -0.76 -0.17 0.00 -0.87 0.00 0.00 58.31 56.43 1pkt n LYS 16 Cb 0.52 -3.16 -0.07 0.00 0.02 0.00 0.00 35.03 32.34 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 8.04 0.54 -2.83 1.64 4.07 -1.26 -4.91 120.64 125.92 1pkt n GLU 17 Ca 0.49 0.38 -0.40 0.00 -0.06 0.00 0.00 57.16 57.57 1pkt n GLU 17 Cb 0.38 -1.58 -0.05 0.00 -0.06 0.00 0.00 31.44 30.13 1pkt n GLU 17 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1pkt s ARG 18 N -2.52 4.67 0.62 5.31 1.81 -1.26 -4.89 118.95 122.68 1pkt s ARG 18 Ca -0.29 1.32 0.22 0.00 -1.72 0.00 0.00 55.73 55.27 1pkt s ARG 18 Cb 0.07 -3.33 1.22 0.00 -0.45 0.00 0.00 34.95 32.46 1pkt s ARG 18 CO 0.44 0.36 1.67 0.93 -0.68 0.00 0.00 175.30 178.02 1pkt h GLU 19 N 5.04 0.00 0.01 3.54 3.07 -2.01 0.92 114.58 125.15 1pkt h GLU 19 Ca -0.44 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.06 1pkt h GLU 19 Cb 1.21 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.05 1pkt h GLU 19 CO 0.70 0.00 -2.26 0.39 -1.40 0.00 0.00 179.01 176.44 1pkt n GLU 20 N -2.70 0.68 -1.26 2.33 -0.58 -1.26 -4.95 120.64 112.89 1pkt n GLU 20 Ca -0.01 0.11 -0.32 0.00 -0.42 0.00 0.00 57.16 56.51 1pkt n GLU 20 Cb 0.48 -1.58 0.10 0.00 -0.57 0.00 0.00 31.44 29.87 1pkt n GLU 20 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1pkt s ASP 21 N -5.98 4.20 0.40 1.62 -4.77 0.32 -2.55 116.67 109.91 1pkt s ASP 21 Ca -0.16 2.04 0.07 0.00 -3.30 0.00 0.00 52.55 51.19 1pkt s ASP 21 Cb 0.07 -2.55 -0.08 0.00 -1.09 0.00 0.00 42.92 39.27 1pkt s ASP 21 CO 0.77 -2.24 0.01 0.27 0.70 0.00 0.00 175.17 174.67 1pkt s ILE 22 N -2.57 1.97 -0.41 2.11 -5.25 -0.68 -4.69 121.20 111.68 1pkt s ILE 22 Ca 0.66 -2.01 -0.29 0.00 -0.99 0.00 0.00 60.65 58.02 1pkt s ILE 22 Cb -0.21 -2.98 0.02 0.00 2.95 0.00 0.00 42.46 42.24 1pkt s ILE 22 CO 0.52 -0.01 1.17 -1.81 -1.79 0.00 0.00 174.94 173.02 1pkt s ASP 23 N -3.70 6.69 0.58 4.36 1.11 -1.26 -4.28 116.67 120.16 1pkt s ASP 23 Ca 0.35 0.75 -0.04 0.00 0.18 0.00 0.00 52.55 53.79 1pkt s ASP 23 Cb 0.10 -2.55 0.02 0.00 1.07 0.00 0.00 42.92 41.56 1pkt s ASP 23 CO 0.18 -1.15 0.86 -0.76 1.18 0.00 0.00 175.17 175.47 1pkt s LEU 24 N 4.33 3.25 -0.25 1.23 2.01 -0.13 -4.80 118.68 124.33 1pkt s LEU 24 Ca 0.50 0.48 -0.19 0.00 0.01 0.00 0.00 54.13 54.93 1pkt s LEU 24 Cb -0.10 -3.30 0.07 0.00 0.01 0.00 0.00 46.19 42.87 1pkt s LEU 24 CO 0.26 -1.09 0.64 -1.00 1.01 0.00 0.00 176.35 176.17 1pkt s HIS 25 N -2.91 -0.83 0.30 0.29 3.76 -1.24 -1.77 115.29 112.89 1pkt s HIS 25 Ca 0.54 1.83 -0.28 0.00 -0.15 0.00 0.00 55.06 57.01 1pkt s HIS 25 Cb -0.10 0.39 -0.14 0.00 1.11 0.00 0.00 32.58 33.84 1pkt s HIS 25 CO 0.43 -0.41 1.03 -0.11 -0.85 0.00 0.00 174.74 174.83 1pkt n LEU 26 N 3.49 1.97 -0.32 0.89 7.94 -1.23 -0.20 117.00 129.55 1pkt n LEU 26 Ca -0.17 1.18 -0.04 0.00 -1.11 0.00 0.00 56.01 55.86 1pkt n LEU 26 Cb 0.57 -1.31 -0.02 0.00 0.53 0.00 0.00 43.42 43.19 1pkt n LEU 26 CO 0.03 -1.33 -0.04 0.61 -1.11 0.00 0.00 177.39 175.55 1pkt n GLY 27 N 1.18 0.63 3.84 -3.96 0.00 -0.89 -4.99 105.19 101.01 1pkt n GLY 27 Ca 0.09 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.38 6.87 0.08 1.61 2.15 0.71 -4.92 116.67 120.79 1pkt s ASP 28 Ca 0.00 1.21 -0.15 0.00 0.43 0.00 0.00 52.55 54.04 1pkt s ASP 28 Cb 0.00 -2.34 -0.06 0.00 -0.30 0.00 0.00 42.92 40.22 1pkt s ASP 28 CO 0.00 -0.00 0.49 -0.63 -0.17 0.00 0.00 175.17 174.85 1pkt s ILE 29 N -1.63 4.92 -0.10 4.11 -1.09 -1.26 -1.47 121.20 124.68 1pkt s ILE 29 Ca 0.44 0.85 0.03 0.00 -2.23 0.00 0.00 60.65 59.74 1pkt s ILE 29 Cb -0.14 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1pkt s ILE 29 CO 0.20 0.41 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.35 1pkt s LEU 30 N -1.53 1.98 -0.71 2.97 2.01 -0.04 -2.19 118.68 121.17 1pkt s LEU 30 Ca 0.31 -0.50 0.03 0.00 0.01 0.00 0.00 54.13 53.98 1pkt s LEU 30 Cb -0.16 -1.27 0.17 0.00 0.01 0.00 0.00 46.19 44.94 1pkt s LEU 30 CO 0.17 0.12 0.52 -0.89 1.01 0.00 0.00 176.35 177.28 1pkt s THR 31 N 0.47 3.25 -0.35 5.49 2.01 -0.27 -1.69 115.64 124.55 1pkt s THR 31 Ca -0.17 -3.92 -0.19 0.00 0.31 0.00 0.00 61.69 57.72 1pkt s THR 31 Cb -0.17 -3.11 -0.00 0.00 0.01 0.00 0.00 72.50 69.22 1pkt s THR 31 CO 0.07 -0.98 0.55 -0.69 -0.69 0.00 0.00 174.62 172.88 1pkt s VAL 32 N -1.13 4.98 0.26 3.82 1.01 -0.73 -1.25 120.40 127.36 1pkt s VAL 32 Ca 0.23 0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 1pkt s VAL 32 Cb -0.10 -3.99 0.06 0.00 0.00 0.00 0.00 36.38 32.35 1pkt s VAL 32 CO -0.12 -0.23 0.14 0.59 0.00 0.00 0.00 175.10 175.48 1pkt n ASN 33 N 5.83 -2.06 -0.10 3.32 5.03 -1.26 -0.01 115.26 126.01 1pkt n ASN 33 Ca -0.04 -0.14 -0.18 0.00 0.87 0.00 0.00 54.58 55.09 1pkt n ASN 33 Cb 0.49 -0.18 -0.09 0.00 -1.02 0.00 0.00 39.78 38.97 1pkt n ASN 33 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1pkt n LYS 34 N -2.13 0.54 -0.06 3.52 5.02 -1.26 -3.83 118.16 119.96 1pkt n LYS 34 Ca 0.02 0.56 -0.12 0.00 -2.02 0.00 0.00 58.31 56.76 1pkt n LYS 34 Cb 0.10 -1.73 -0.06 0.00 -0.02 0.00 0.00 35.03 33.31 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 -1.00 0.34 -1.24 0.72 0.00 -1.95 -1.84 103.07 98.10 1pkt h GLY 35 Ca -0.28 -0.29 0.46 0.00 0.00 0.00 0.00 47.33 47.22 1pkt h GLY 35 CO -0.17 0.26 1.00 0.23 0.00 0.00 0.00 176.54 177.86 1pkt h SER 36 N 0.02 0.16 0.39 0.19 0.87 -1.90 0.95 113.55 114.23 1pkt h SER 36 Ca 0.04 0.09 -0.31 0.00 -1.23 0.00 0.00 61.79 60.38 1pkt h SER 36 Cb 0.48 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 1pkt h SER 36 CO 0.02 -0.11 -1.79 -0.11 -0.53 0.00 0.00 176.83 174.30 1pkt n LEU 37 N -4.45 1.34 -0.00 2.23 0.00 -1.07 -3.80 117.00 111.24 1pkt n LEU 37 Ca 0.38 0.36 0.15 0.00 0.00 0.00 0.00 56.01 56.89 1pkt n LEU 37 Cb 1.56 -0.17 0.87 0.00 0.00 0.00 0.00 43.42 45.68 1pkt n LEU 37 CO 0.29 0.51 1.06 0.52 0.00 0.00 0.00 177.39 179.77 1pkt n VAL 38 N -3.16 0.00 0.15 1.96 0.31 0.29 -3.56 118.33 114.31 1pkt n VAL 38 Ca -0.21 -0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.19 1pkt n VAL 38 Cb 1.05 -0.45 0.37 0.00 -0.91 0.00 0.00 33.84 33.90 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 -0.95 1.12 -1.25 3.52 0.00 0.14 -0.99 120.51 122.09 1pkt n ALA 39 Ca 0.22 0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.67 1pkt n ALA 39 Cb 0.10 -1.22 0.22 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.97 5.36 -3.42 0.00 7.99 -1.23 -4.92 117.00 118.81 1pkt n LEU 40 Ca -0.00 -3.54 -0.18 0.00 -0.01 0.00 0.00 56.01 52.28 1pkt n LEU 40 Cb 0.05 -0.72 0.09 0.00 -0.11 0.00 0.00 43.42 42.73 1pkt n LEU 40 CO 0.08 1.04 0.12 0.61 -1.51 0.00 0.00 177.39 177.73 1pkt n GLY 41 N -0.88 -0.37 0.00 -0.72 0.00 -0.16 -4.99 105.19 98.07 1pkt n GLY 41 Ca 0.42 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -4.20 -2.54 -4.34 1.61 3.01 -1.24 -5.07 117.46 104.70 1pkt n PHE 42 Ca -0.26 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.01 1pkt n PHE 42 Cb 0.66 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.02 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 -1.52 2.56 -0.10 4.37 1.04 -1.26 -5.05 113.70 113.73 1pkt s SER 43 Ca 0.00 -0.97 -0.29 0.00 0.48 0.00 0.00 55.95 55.17 1pkt s SER 43 Cb 0.00 -0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 1pkt s SER 43 CO 0.00 -0.14 1.57 -0.62 0.98 0.00 0.00 173.24 175.03 1pkt s ASP 44 N -3.11 6.67 0.00 7.02 -1.08 -1.26 -2.02 116.67 122.90 1pkt s ASP 44 Ca 0.20 2.02 0.00 0.00 -0.52 0.00 0.00 52.55 54.25 1pkt s ASP 44 Cb -0.02 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1pkt s ASP 44 CO 0.07 -0.95 0.00 0.61 0.52 0.00 0.00 175.17 175.42 1pkt n GLY 45 N 4.11 3.15 1.00 2.66 0.00 -1.26 -4.89 105.19 109.96 1pkt n GLY 45 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 1pkt n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pkt n GLN 46 N -1.46 2.53 -0.01 1.61 6.02 -0.86 -3.95 117.38 121.28 1pkt n GLN 46 Ca 0.00 -1.52 -0.16 0.00 -0.01 0.00 0.00 57.00 55.31 1pkt n GLN 46 Cb 0.00 -1.64 -0.14 0.00 1.02 0.00 0.00 30.24 29.48 1pkt n GLN 46 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pkt n GLU 47 N 0.45 0.70 -0.58 -1.09 -0.58 -1.26 -3.96 120.64 114.32 1pkt n GLU 47 Ca 0.14 0.28 -0.09 0.00 -0.42 0.00 0.00 57.16 57.06 1pkt n GLU 47 Cb 0.56 -1.75 0.11 0.00 -0.57 0.00 0.00 31.44 29.79 1pkt n GLU 47 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pkt n ALA 48 N -2.80 3.89 -3.19 0.62 0.00 -1.25 -4.36 120.51 113.41 1pkt n ALA 48 Ca -0.25 -1.35 -0.24 0.00 0.00 0.00 0.00 53.44 51.60 1pkt n ALA 48 Cb 1.05 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.20 2.03 -0.13 0.00 5.12 -1.25 -4.74 116.66 117.48 1pkt n ARG 49 Ca 0.27 -4.15 -0.06 0.00 -1.93 0.00 0.00 57.85 51.98 1pkt n ARG 49 Cb 1.02 -1.92 0.03 0.00 -1.16 0.00 0.00 32.46 30.43 1pkt n ARG 49 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1pkt h PRO 50 N 3.55 0.39 0.00 5.56 0.10 -1.82 0.95 132.00 140.73 1pkt h PRO 50 Ca 0.13 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 66.21 1pkt h PRO 50 Cb 0.73 -0.09 0.00 0.00 0.10 0.00 0.00 31.00 31.74 1pkt h PRO 50 CO 0.68 0.26 0.15 1.05 0.10 0.00 0.00 178.00 180.25 1pkt h GLU 51 N 0.41 0.00 -0.00 1.05 4.11 -1.84 -0.65 114.58 117.65 1pkt h GLU 51 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 1pkt h GLU 51 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1pkt h GLU 51 CO -0.14 0.00 -0.02 -1.91 0.07 0.00 0.00 179.01 177.01 1pkt n GLU 52 N -2.83 1.76 -0.07 1.06 2.13 -0.22 -4.65 120.64 117.81 1pkt n GLU 52 Ca -0.02 -0.39 -0.14 0.00 0.66 0.00 0.00 57.16 57.27 1pkt n GLU 52 Cb 0.21 -0.87 -0.12 0.00 0.27 0.00 0.00 31.44 30.92 1pkt n GLU 52 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1pkt h ILE 53 N 0.22 1.71 0.00 6.31 2.04 0.25 -3.49 117.51 124.53 1pkt h ILE 53 Ca 0.00 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.57 1pkt h ILE 53 Cb 0.06 3.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1pkt h ILE 53 CO 0.00 0.58 0.00 0.61 0.00 0.00 0.00 178.15 179.34 1pkt n GLY 54 N 1.61 2.28 2.96 5.37 0.00 -1.13 -5.03 105.19 111.26 1pkt n GLY 54 Ca -0.10 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 0.23 -0.01 1.61 0.52 -1.26 -2.00 118.94 118.03 1pkt s TRP 55 Ca 0.00 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 55.72 1pkt s TRP 55 Cb 0.00 -0.17 -0.01 0.00 -1.15 0.00 0.00 33.47 32.15 1pkt s TRP 55 CO 0.00 -0.15 -0.12 -0.51 0.02 0.00 0.00 176.95 176.19 1pkt s LEU 56 N -1.20 1.97 -0.38 2.99 1.43 -0.56 -4.86 118.68 118.06 1pkt s LEU 56 Ca -0.13 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1pkt s LEU 56 Cb -0.08 -0.62 0.08 0.00 0.03 0.00 0.00 46.19 45.60 1pkt s LEU 56 CO -0.01 0.13 0.17 0.21 0.23 0.00 0.00 176.35 177.08 1pkt s ASN 57 N -0.16 5.28 0.00 2.29 3.84 -1.26 -1.47 114.94 123.46 1pkt s ASN 57 Ca 0.02 -1.67 0.00 0.00 0.21 0.00 0.00 52.86 51.42 1pkt s ASN 57 Cb -0.06 -1.85 0.00 0.00 -0.55 0.00 0.00 41.25 38.79 1pkt s ASN 57 CO -0.00 -0.47 0.00 0.61 -2.79 0.00 0.00 177.10 174.45 1pkt n GLY 58 N 4.70 5.66 2.93 1.21 0.00 -0.84 -4.18 105.19 114.66 1pkt n GLY 58 Ca -0.07 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 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 2.03 1.19 -1.10 1.61 5.04 -0.38 -2.45 117.35 123.30 1pkt s TYR 59 Ca 0.00 -0.47 -0.18 0.00 -2.44 0.00 0.00 57.07 53.98 1pkt s TYR 59 Cb 0.00 -0.98 0.12 0.00 0.35 0.00 0.00 41.96 41.45 1pkt s TYR 59 CO 0.00 -0.33 1.38 -0.80 -1.34 0.00 0.00 175.55 174.46 1pkt s ASN 60 N 1.19 6.79 0.27 4.32 -0.87 -0.50 -1.12 114.94 125.02 1pkt s ASN 60 Ca -0.06 -2.32 -0.06 0.00 -1.57 0.00 0.00 52.86 48.85 1pkt s ASN 60 Cb -0.14 -2.46 0.50 0.00 -0.02 0.00 0.00 41.25 39.13 1pkt s ASN 60 CO -0.02 -1.05 1.59 -0.08 -2.57 0.00 0.00 177.10 174.97 1pkt h GLU 61 N 8.24 0.03 0.00 -0.60 4.22 -1.75 1.04 114.58 125.76 1pkt h GLU 61 Ca 0.26 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.70 1pkt h GLU 61 Cb 0.95 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1pkt h GLU 61 CO 1.26 0.02 0.00 2.41 -2.18 0.00 0.00 179.01 180.52 1pkt n THR 62 N -5.49 0.00 1.32 0.32 -1.04 -1.26 -1.01 114.28 107.12 1pkt n THR 62 Ca 0.16 1.01 0.02 0.00 -2.04 0.00 0.00 64.05 63.20 1pkt n THR 62 Cb 0.54 -1.54 0.06 0.00 -1.82 0.00 0.00 70.33 67.56 1pkt n THR 62 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1pkt n THR 63 N -1.02 0.26 -4.16 12.58 -2.24 -1.07 -4.87 114.28 113.76 1pkt n THR 63 Ca 0.00 -0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.28 1pkt n THR 63 Cb 0.00 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.51 -0.31 3.11 3.38 0.00 0.35 -4.92 105.19 107.32 1pkt n GLY 64 Ca 0.04 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -6.89 2.79 0.37 1.61 2.02 -0.92 -4.88 118.70 112.81 1pkt s GLU 65 Ca 0.36 -0.97 -0.06 0.00 0.02 0.00 0.00 54.97 54.32 1pkt s GLU 65 Cb -0.20 -2.67 -0.05 0.00 0.10 0.00 0.00 34.13 31.31 1pkt s GLU 65 CO 0.93 -0.31 0.67 -0.98 0.02 0.00 0.00 175.26 175.59 1pkt s ARG 66 N 1.24 3.64 0.00 1.61 1.70 -1.26 -1.41 118.95 124.48 1pkt s ARG 66 Ca 0.01 0.15 0.00 0.00 -0.47 0.00 0.00 55.73 55.42 1pkt s ARG 66 Cb -0.15 -2.52 0.00 0.00 -0.57 0.00 0.00 34.95 31.71 1pkt s ARG 66 CO -0.10 0.05 0.00 0.41 -1.08 0.00 0.00 175.30 174.57 1pkt n GLY 67 N -1.40 -0.55 3.82 3.88 0.00 -1.02 -4.79 105.19 105.12 1pkt n GLY 67 Ca -0.00 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 1pkt n GLY 67 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pkt s ASP 68 N -4.00 5.66 0.13 1.61 -4.77 -1.06 -1.99 116.67 112.25 1pkt s ASP 68 Ca 0.00 -0.06 -0.19 0.00 -3.30 0.00 0.00 52.55 49.00 1pkt s ASP 68 Cb 0.00 -1.53 0.05 0.00 -1.09 0.00 0.00 42.92 40.35 1pkt s ASP 68 CO 0.00 0.08 0.47 0.72 0.70 0.00 0.00 175.17 177.15 1pkt s PHE 69 N -1.69 -0.33 0.21 2.11 -0.71 -0.54 -1.69 117.98 115.33 1pkt s PHE 69 Ca 0.31 0.07 -0.32 0.00 -1.04 0.00 0.00 56.93 55.95 1pkt s PHE 69 Cb -0.11 0.36 -0.12 0.00 -1.21 0.00 0.00 43.02 41.95 1pkt s PHE 69 CO 0.24 -0.75 1.72 -2.30 -1.34 0.00 0.00 175.22 172.79 1pkt n PRO 70 N -0.24 2.76 0.13 1.99 -0.02 -1.26 -1.50 135.00 136.86 1pkt n PRO 70 Ca -0.17 1.00 -0.02 0.00 -2.02 0.00 0.00 63.50 62.29 1pkt n PRO 70 Cb 0.64 -2.84 0.13 0.00 -0.02 0.00 0.00 33.50 31.41 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 6.70 0.00 1.58 -1.23 0.00 -1.56 -2.66 103.07 105.89 1pkt h GLY 71 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1pkt h GLY 71 CO 0.95 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 176.19 1pkt n THR 72 N -3.71 0.61 1.00 4.70 -2.24 -1.23 -1.73 114.28 111.67 1pkt n THR 72 Ca -0.01 0.15 0.11 0.00 -2.27 0.00 0.00 64.05 62.03 1pkt n THR 72 Cb 0.66 -0.92 0.01 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.29 0.00 -4.26 4.78 4.02 -1.00 -4.91 117.16 114.50 1pkt n TYR 73 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.75 1pkt n TYR 73 Cb 0.11 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 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 0.12 0.00 -3.28 -0.72 0.24 -0.70 0.62 118.33 114.61 1pkt n VAL 74 Ca 0.10 -1.56 -0.07 0.00 -2.04 0.00 0.00 64.34 60.76 1pkt n VAL 74 Cb 0.48 0.16 -0.05 0.00 -1.47 0.00 0.00 33.84 32.96 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 -3.32 0.54 -0.44 7.34 -1.05 0.18 -4.71 118.70 117.24 1pkt s GLU 75 Ca 0.07 -0.09 -0.39 0.00 -0.15 0.00 0.00 54.97 54.41 1pkt s GLU 75 Cb -0.01 -0.26 -0.17 0.00 -0.44 0.00 0.00 34.13 33.26 1pkt s GLU 75 CO 0.04 -1.10 1.86 0.98 0.95 0.00 0.00 175.26 178.00 1pkt n TYR 76 N 4.99 1.06 -1.18 4.83 4.19 -1.26 -2.13 117.16 127.65 1pkt n TYR 76 Ca 0.05 0.70 0.01 0.00 3.31 0.00 0.00 57.90 61.97 1pkt n TYR 76 Cb 0.50 -2.02 0.01 0.00 0.49 0.00 0.00 39.34 38.33 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 5.61 0.32 -3.83 2.97 5.41 -0.69 -4.89 119.36 124.27 1pkt n ILE 77 Ca 0.47 -0.35 -0.29 0.00 1.00 0.00 0.00 62.75 63.58 1pkt n ILE 77 Cb -0.04 0.66 -0.16 0.00 -0.71 0.00 0.00 39.64 39.39 1pkt n ILE 77 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1pkt s GLY 78 N -0.73 0.95 0.00 7.39 0.00 0.91 -4.96 107.32 110.88 1pkt s GLY 78 Ca 0.03 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.81 1pkt s GLY 78 CO 0.00 1.19 0.58 -2.13 0.00 0.00 0.00 173.10 172.74