#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 0.17 3.72 8.31 0.00 -1.26 -4.65 105.19 111.49 1pkt n GLY 5 Ca 0.00 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.71 3.76 -0.24 1.61 2.02 0.56 -4.14 117.35 118.22 1pkt s TYR 6 Ca 0.56 1.76 0.02 0.00 -0.37 0.00 0.00 57.07 59.03 1pkt s TYR 6 Cb -0.03 -3.06 0.04 0.00 -0.40 0.00 0.00 41.96 38.51 1pkt s TYR 6 CO 0.38 0.15 -0.12 -0.65 -1.57 0.00 0.00 175.55 173.73 1pkt s GLN 7 N 0.29 2.54 0.48 -0.62 -0.21 -0.53 -0.81 119.66 120.82 1pkt s GLN 7 Ca 0.48 -1.15 0.08 0.00 0.02 0.00 0.00 55.36 54.79 1pkt s GLN 7 Cb -0.22 -2.82 0.02 0.00 1.00 0.00 0.00 33.01 30.98 1pkt s GLN 7 CO 0.29 -0.45 0.50 0.71 -2.12 0.00 0.00 175.29 174.23 1pkt s TYR 8 N 1.19 2.18 -0.04 0.91 2.02 -0.87 -2.41 117.35 120.34 1pkt s TYR 8 Ca -0.04 -0.61 0.07 0.00 -0.37 0.00 0.00 57.07 56.12 1pkt s TYR 8 Cb -0.18 -2.15 -0.02 0.00 -0.40 0.00 0.00 41.96 39.22 1pkt s TYR 8 CO -0.07 -0.47 -0.25 1.03 -1.57 0.00 0.00 175.55 174.22 1pkt s ARG 9 N -4.31 2.24 -0.28 -0.62 0.52 -0.94 -1.65 118.95 113.92 1pkt s ARG 9 Ca 0.49 -0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 54.50 1pkt s ARG 9 Cb -0.04 -2.04 -0.07 0.00 0.52 0.00 0.00 34.95 33.31 1pkt s ARG 9 CO 0.29 0.47 2.22 0.00 0.02 0.00 0.00 175.30 178.30 1pkt n ALA 10 N 2.69 1.52 -0.05 2.13 0.00 -0.42 -0.72 120.51 125.65 1pkt n ALA 10 Ca -0.17 -0.21 -0.08 0.00 0.00 0.00 0.00 53.44 52.98 1pkt n ALA 10 Cb 0.52 -2.80 -0.14 0.00 0.00 0.00 0.00 19.45 17.02 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 11.22 0.56 0.00 0.00 4.77 -0.20 -1.42 117.00 131.93 1pkt n LEU 11 Ca 0.34 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1pkt n LEU 11 Cb 0.37 0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1pkt n LEU 11 CO 0.70 0.41 0.00 -1.22 -1.33 0.00 0.00 177.39 175.95 1pkt n TYR 12 N -2.93 0.00 -4.32 -1.77 4.02 -1.08 -4.62 117.16 106.46 1pkt n TYR 12 Ca -0.22 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.37 1pkt n TYR 12 Cb 1.07 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.35 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 -0.93 4.38 0.00 7.72 -4.77 -1.26 -1.34 116.67 120.47 1pkt s ASP 13 Ca 0.00 -1.45 0.00 0.00 -3.30 0.00 0.00 52.55 47.80 1pkt s ASP 13 Cb 0.00 0.46 0.00 0.00 -1.09 0.00 0.00 42.92 42.29 1pkt s ASP 13 CO 0.00 -0.97 0.00 0.00 0.70 0.00 0.00 175.17 174.90 1pkt n TYR 14 N -1.51 0.00 -2.48 2.11 9.36 0.36 -4.85 117.16 120.15 1pkt n TYR 14 Ca -0.10 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.79 1pkt n TYR 14 Cb 0.66 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.32 1pkt n TYR 14 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1pkt s LYS 15 N 0.00 3.99 -1.27 2.98 2.20 -1.26 -0.63 119.74 125.75 1pkt s LYS 15 Ca 0.00 1.01 -0.19 0.00 -0.36 0.00 0.00 55.97 56.43 1pkt s LYS 15 Cb 0.00 -2.14 0.02 0.00 -1.51 0.00 0.00 37.83 34.20 1pkt s LYS 15 CO 0.00 -0.23 1.85 0.36 -0.36 0.00 0.00 175.35 176.97 1pkt n LYS 16 N -1.37 2.75 0.00 4.03 2.85 -1.23 -4.82 118.16 120.37 1pkt n LYS 16 Ca 0.07 -2.96 0.00 0.00 -1.05 0.00 0.00 58.31 54.37 1pkt n LYS 16 Cb 0.54 -3.49 0.00 0.00 -0.65 0.00 0.00 35.03 31.43 1pkt n LYS 16 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1pkt n GLU 17 N 7.99 0.00 -1.66 -1.58 1.02 -1.26 -4.70 120.64 120.44 1pkt n GLU 17 Ca 0.49 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 57.21 1pkt n GLU 17 Cb 0.45 -0.40 0.01 0.00 -0.02 0.00 0.00 31.44 31.48 1pkt n GLU 17 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pkt n ARG 18 N 0.00 1.70 0.19 3.49 1.74 -1.26 -4.78 116.66 117.74 1pkt n ARG 18 Ca 0.00 0.61 0.12 0.00 -0.77 0.00 0.00 57.85 57.80 1pkt n ARG 18 Cb 0.00 -2.23 0.62 0.00 -1.02 0.00 0.00 32.46 29.82 1pkt n ARG 18 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1pkt h GLU 19 N 1.91 0.00 0.06 5.56 5.08 -2.02 0.01 114.58 125.17 1pkt h GLU 19 Ca -0.46 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.65 1pkt h GLU 19 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1pkt h GLU 19 CO 0.59 0.00 -1.19 1.49 -1.00 0.00 0.00 179.01 178.90 1pkt h GLU 20 N 0.00 0.13 -6.48 2.33 4.81 -1.94 -3.45 114.58 109.97 1pkt h GLU 20 Ca 0.00 -0.22 -0.53 0.00 -0.13 0.00 0.00 59.36 58.48 1pkt h GLU 20 Cb 0.18 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1pkt h GLU 20 CO 0.00 1.07 -0.00 -0.51 -0.73 0.00 0.00 179.01 178.83 1pkt s ASP 21 N -6.87 6.85 0.00 1.04 1.01 -0.01 -1.72 116.67 116.96 1pkt s ASP 21 Ca -0.02 1.18 0.00 0.00 0.71 0.00 0.00 52.55 54.42 1pkt s ASP 21 Cb 0.08 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.68 1pkt s ASP 21 CO 0.85 -0.00 0.00 2.30 0.21 0.00 0.00 175.17 178.53 1pkt n ILE 22 N 0.42 0.00 -2.14 0.77 -5.35 -1.02 -4.48 119.36 107.56 1pkt n ILE 22 Ca -0.02 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.13 1pkt n ILE 22 Cb 0.52 -0.62 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 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 -0.99 5.84 -0.04 7.28 1.11 -1.26 -3.56 116.67 125.05 1pkt s ASP 23 Ca 0.00 1.89 -0.01 0.00 0.18 0.00 0.00 52.55 54.60 1pkt s ASP 23 Cb 0.00 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.48 1pkt s ASP 23 CO 0.00 -1.13 0.07 -0.22 1.18 0.00 0.00 175.17 175.08 1pkt s LEU 24 N -4.26 0.93 -0.12 1.23 1.98 0.20 -4.94 118.68 113.71 1pkt s LEU 24 Ca 0.65 0.14 -0.07 0.00 -2.89 0.00 0.00 54.13 51.96 1pkt s LEU 24 Cb -0.17 0.09 0.04 0.00 0.66 0.00 0.00 46.19 46.81 1pkt s LEU 24 CO 0.33 -0.14 0.29 -1.00 -1.89 0.00 0.00 176.35 173.94 1pkt s HIS 25 N 1.13 -0.37 0.64 5.38 3.76 -1.24 -0.48 115.29 124.10 1pkt s HIS 25 Ca -0.09 0.87 -0.17 0.00 -0.15 0.00 0.00 55.06 55.52 1pkt s HIS 25 Cb -0.12 0.11 -0.06 0.00 1.11 0.00 0.00 32.58 33.62 1pkt s HIS 25 CO -0.04 -0.23 0.66 -0.11 -0.85 0.00 0.00 174.74 174.17 1pkt n LEU 26 N 3.81 1.69 0.00 0.89 0.00 -0.45 -2.00 117.00 120.94 1pkt n LEU 26 Ca -0.21 0.70 0.00 0.00 0.00 0.00 0.00 56.01 56.50 1pkt n LEU 26 Cb 0.55 -1.25 0.00 0.00 0.00 0.00 0.00 43.42 42.72 1pkt n LEU 26 CO 0.14 -2.73 0.00 0.61 0.00 0.00 0.00 177.39 175.41 1pkt n GLY 27 N 1.58 1.78 0.10 -3.96 0.00 -0.51 -4.97 105.19 99.22 1pkt n GLY 27 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1pkt n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pkt n ASP 28 N 0.00 0.03 -3.79 1.61 9.92 -0.85 -4.86 116.55 118.61 1pkt n ASP 28 Ca 0.00 -1.03 -0.12 0.00 -0.53 0.00 0.00 54.79 53.11 1pkt n ASP 28 Cb 0.00 -0.02 -0.09 0.00 -0.64 0.00 0.00 41.12 40.38 1pkt n ASP 28 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1pkt s ILE 29 N -0.06 0.07 -0.04 0.53 1.01 -1.26 -1.31 121.20 120.14 1pkt s ILE 29 Ca 0.02 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1pkt s ILE 29 Cb -0.00 -0.67 0.02 0.00 0.01 0.00 0.00 42.46 41.82 1pkt s ILE 29 CO 0.01 -0.32 -0.04 -0.76 0.00 0.00 0.00 174.94 173.83 1pkt s LEU 30 N -1.54 1.36 -0.66 2.97 1.02 -0.66 -2.86 118.68 118.31 1pkt s LEU 30 Ca -0.11 -0.12 -0.16 0.00 0.02 0.00 0.00 54.13 53.75 1pkt s LEU 30 Cb -0.04 -0.43 0.15 0.00 0.02 0.00 0.00 46.19 45.89 1pkt s LEU 30 CO 0.02 -0.05 0.68 -0.89 0.02 0.00 0.00 176.35 176.12 1pkt s THR 31 N 0.86 5.19 -0.31 5.49 2.01 -0.39 -2.06 115.64 126.42 1pkt s THR 31 Ca -0.11 -1.65 -0.11 0.00 0.31 0.00 0.00 61.69 60.13 1pkt s THR 31 Cb -0.14 -4.45 -0.02 0.00 0.01 0.00 0.00 72.50 67.90 1pkt s THR 31 CO 0.00 -1.03 0.20 -0.69 -0.69 0.00 0.00 174.62 172.41 1pkt s VAL 32 N 1.56 5.06 0.53 3.82 1.01 0.01 -0.97 120.40 131.42 1pkt s VAL 32 Ca 0.12 -0.17 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 1pkt s VAL 32 Cb -0.21 -3.53 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 1pkt s VAL 32 CO -0.00 0.10 0.90 -3.20 0.00 0.00 0.00 175.10 172.89 1pkt n ASN 33 N 5.05 0.63 0.00 3.32 5.15 -1.26 -0.32 115.26 127.84 1pkt n ASN 33 Ca -0.13 0.88 0.12 0.00 -0.60 0.00 0.00 54.58 54.84 1pkt n ASN 33 Cb 0.50 -1.34 0.64 0.00 -0.53 0.00 0.00 39.78 39.06 1pkt n ASN 33 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1pkt n LYS 34 N -0.39 0.54 -0.11 1.20 2.85 -1.26 -3.60 118.16 117.39 1pkt n LYS 34 Ca 0.12 0.03 -0.20 0.00 -1.05 0.00 0.00 58.31 57.21 1pkt n LYS 34 Cb 0.44 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.25 1pkt n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pkt n GLY 35 N 0.57 -0.57 0.38 2.58 0.00 -1.26 -3.52 105.19 103.37 1pkt n GLY 35 Ca 0.14 -0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.15 1pkt n GLY 35 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pkt h SER 36 N -1.00 0.00 0.31 1.61 4.64 -1.94 0.56 113.55 117.73 1pkt h SER 36 Ca -0.38 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.61 1pkt h SER 36 Cb 1.29 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 1pkt h SER 36 CO -0.23 0.00 -1.85 -0.11 -0.87 0.00 0.00 176.83 173.76 1pkt n LEU 37 N -3.11 1.73 -0.38 5.97 0.00 -1.24 -3.89 117.00 116.08 1pkt n LEU 37 Ca 0.05 0.31 0.14 0.00 0.00 0.00 0.00 56.01 56.51 1pkt n LEU 37 Cb 0.75 -0.46 0.58 0.00 0.00 0.00 0.00 43.42 44.30 1pkt n LEU 37 CO 0.16 0.62 0.90 0.52 0.00 0.00 0.00 177.39 179.59 1pkt n VAL 38 N -3.26 0.03 0.13 1.96 0.31 0.15 -3.90 118.33 113.76 1pkt n VAL 38 Ca -0.24 -0.21 0.09 0.00 -0.01 0.00 0.00 64.34 63.97 1pkt n VAL 38 Cb 1.05 0.27 0.46 0.00 -0.91 0.00 0.00 33.84 34.71 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 -0.06 1.04 0.00 3.52 0.00 0.11 -0.83 120.51 124.29 1pkt n ALA 39 Ca 0.19 0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.84 1pkt n ALA 39 Cb 0.29 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.09 0.34 0.00 0.00 7.99 -1.25 -4.96 117.00 117.02 1pkt n LEU 40 Ca -0.01 0.14 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 1pkt n LEU 40 Cb 0.03 0.10 0.00 0.00 -0.11 0.00 0.00 43.42 43.44 1pkt n LEU 40 CO 0.08 0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.66 1pkt n GLY 41 N 1.37 1.94 3.07 -0.72 0.00 -0.01 -5.11 105.19 105.73 1pkt n GLY 41 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.15 -1.64 -3.20 1.61 3.01 -1.25 -4.96 117.46 110.88 1pkt n PHE 42 Ca 0.00 0.29 -0.23 0.00 1.01 0.00 0.00 57.45 58.52 1pkt n PHE 42 Cb 0.00 -1.44 0.00 0.00 -0.01 0.00 0.00 39.48 38.03 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 -1.57 6.02 -0.79 4.37 0.15 -1.26 -5.00 113.70 115.62 1pkt s SER 43 Ca 0.39 0.28 -0.26 0.00 0.70 0.00 0.00 55.95 57.07 1pkt s SER 43 Cb -0.03 -1.68 0.01 0.00 -1.71 0.00 0.00 66.02 62.61 1pkt s SER 43 CO 0.50 -0.51 1.58 -0.62 1.20 0.00 0.00 173.24 175.38 1pkt s ASP 44 N -4.14 5.83 0.00 5.45 2.15 -1.26 -2.45 116.67 122.25 1pkt s ASP 44 Ca 0.45 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.93 1pkt s ASP 44 Cb -0.10 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1pkt s ASP 44 CO 0.36 -2.06 0.00 0.61 -0.17 0.00 0.00 175.17 173.91 1pkt n GLY 45 N 6.03 1.29 0.48 2.66 0.00 -1.26 -4.96 105.19 109.43 1pkt n GLY 45 Ca 0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.36 1pkt n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1pkt n GLN 46 N 0.00 1.66 -0.49 1.61 7.27 -1.03 -3.82 117.38 122.58 1pkt n GLN 46 Ca 0.00 -0.96 0.02 0.00 0.07 0.00 0.00 57.00 56.13 1pkt n GLN 46 Cb 0.00 -1.48 0.20 0.00 2.41 0.00 0.00 30.24 31.37 1pkt n GLN 46 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1pkt n GLU 47 N 0.17 2.91 0.00 3.69 4.71 -1.26 -3.67 120.64 127.19 1pkt n GLU 47 Ca 0.19 -1.64 0.03 0.00 -0.01 0.00 0.00 57.16 55.73 1pkt n GLU 47 Cb 0.35 -1.88 0.01 0.00 -1.01 0.00 0.00 31.44 28.92 1pkt n GLU 47 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pkt n ALA 48 N 0.26 2.55 -3.77 0.62 0.00 -1.25 -4.82 120.51 114.11 1pkt n ALA 48 Ca 0.16 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 52.86 1pkt n ALA 48 Cb 0.79 -0.22 -0.13 0.00 0.00 0.00 0.00 19.45 19.89 1pkt n ALA 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pkt s ARG 49 N -0.79 1.67 0.28 0.00 3.00 -1.24 -4.21 118.95 117.66 1pkt s ARG 49 Ca 0.06 -2.48 -0.03 0.00 0.00 0.00 0.00 55.73 53.29 1pkt s ARG 49 Cb 0.05 -2.69 0.39 0.00 0.00 0.00 0.00 34.95 32.71 1pkt s ARG 49 CO 0.12 -1.21 1.91 -1.00 0.00 0.00 0.00 175.30 175.12 1pkt h PRO 50 N 6.22 1.05 0.00 3.54 0.13 -1.87 -0.71 132.00 140.37 1pkt h PRO 50 Ca 0.05 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1pkt h PRO 50 Cb 0.87 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1pkt h PRO 50 CO 0.57 0.76 0.04 1.05 -0.23 0.00 0.00 178.00 180.19 1pkt h GLU 51 N 1.07 0.00 0.00 0.86 9.09 -1.84 -0.02 114.58 123.73 1pkt h GLU 51 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.68 1pkt h GLU 51 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1pkt h GLU 51 CO -0.05 0.00 -0.65 0.39 0.05 0.00 0.00 179.01 178.76 1pkt n GLU 52 N -2.67 3.00 -0.07 1.06 -0.58 -0.40 -4.60 120.64 116.39 1pkt n GLU 52 Ca -0.02 -0.01 -0.14 0.00 -0.42 0.00 0.00 57.16 56.57 1pkt n GLU 52 Cb 0.09 -1.05 -0.13 0.00 -0.57 0.00 0.00 31.44 29.79 1pkt n GLU 52 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1pkt h ILE 53 N 0.00 1.76 0.00 -3.67 2.04 0.26 -3.49 117.51 114.40 1pkt h ILE 53 Ca 0.00 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.56 1pkt h ILE 53 Cb 0.29 3.31 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 1pkt h ILE 53 CO 0.00 0.59 0.00 0.61 0.00 0.00 0.00 178.15 179.35 1pkt n GLY 54 N 1.58 2.26 2.91 5.37 0.00 -0.98 -5.03 105.19 111.31 1pkt n GLY 54 Ca -0.10 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 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 0.09 0.06 1.61 0.52 -1.26 -2.06 118.94 117.89 1pkt s TRP 55 Ca 0.00 -0.16 0.02 0.00 0.02 0.00 0.00 56.10 55.98 1pkt s TRP 55 Cb 0.00 -0.07 -0.03 0.00 -1.15 0.00 0.00 33.47 32.23 1pkt s TRP 55 CO 0.00 -0.06 -0.08 -0.51 0.02 0.00 0.00 176.95 176.33 1pkt s LEU 56 N -0.45 2.31 -0.28 2.99 1.02 -0.70 -4.86 118.68 118.71 1pkt s LEU 56 Ca -0.05 -0.65 -0.01 0.00 0.02 0.00 0.00 54.13 53.43 1pkt s LEU 56 Cb -0.03 -0.15 0.04 0.00 0.02 0.00 0.00 46.19 46.07 1pkt s LEU 56 CO -0.00 -0.26 -0.02 0.21 0.02 0.00 0.00 176.35 176.29 1pkt s ASN 57 N -1.91 4.72 0.00 2.29 3.84 -1.26 -1.03 114.94 121.59 1pkt s ASN 57 Ca -0.05 -1.19 0.00 0.00 0.21 0.00 0.00 52.86 51.83 1pkt s ASN 57 Cb -0.07 -1.69 0.00 0.00 -0.55 0.00 0.00 41.25 38.95 1pkt s ASN 57 CO -0.01 -0.22 0.00 0.61 -2.79 0.00 0.00 177.10 174.69 1pkt n GLY 58 N 4.62 5.46 2.92 1.21 0.00 -0.71 -4.23 105.19 114.46 1pkt n GLY 58 Ca -0.14 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 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 0.87 2.22 -1.20 1.61 5.04 -0.14 -2.55 117.35 123.19 1pkt s TYR 59 Ca 0.00 -1.61 -0.20 0.00 -2.44 0.00 0.00 57.07 52.82 1pkt s TYR 59 Cb 0.00 -1.51 0.04 0.00 0.35 0.00 0.00 41.96 40.84 1pkt s TYR 59 CO 0.00 -0.75 1.70 -0.80 -1.34 0.00 0.00 175.55 174.36 1pkt s ASN 60 N 1.46 6.50 0.30 4.32 0.01 -0.62 -1.27 114.94 125.63 1pkt s ASN 60 Ca -0.05 -2.05 0.05 0.00 -0.71 0.00 0.00 52.86 50.11 1pkt s ASN 60 Cb -0.18 -2.58 0.70 0.00 0.41 0.00 0.00 41.25 39.60 1pkt s ASN 60 CO -0.07 -1.52 1.80 -0.08 -1.51 0.00 0.00 177.10 175.72 1pkt h GLU 61 N 8.50 0.79 -0.55 -0.60 4.81 -1.83 1.71 114.58 127.41 1pkt h GLU 61 Ca 0.35 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.61 1pkt h GLU 61 Cb 0.92 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.05 1pkt h GLU 61 CO 1.42 0.52 0.19 1.15 -0.73 0.00 0.00 179.01 181.56 1pkt h THR 62 N 0.82 0.78 -0.49 0.32 2.02 -1.87 -1.66 112.91 112.83 1pkt h THR 62 Ca 0.55 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.61 1pkt h THR 62 Cb 0.80 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1pkt h THR 62 CO -0.34 0.07 0.00 0.35 0.37 0.00 0.00 175.52 175.96 1pkt n THR 63 N -5.02 1.50 -4.21 3.16 -2.24 -0.24 -4.97 114.28 102.26 1pkt n THR 63 Ca 0.07 -1.22 -0.38 0.00 -2.27 0.00 0.00 64.05 60.25 1pkt n THR 63 Cb 0.24 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.70 -0.43 2.74 3.38 0.00 0.57 -4.92 105.19 107.23 1pkt n GLY 64 Ca 0.20 0.24 -0.22 0.00 0.00 0.00 0.00 46.02 46.24 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 -7.42 0.40 0.21 1.61 0.41 -0.95 -4.96 118.70 108.00 1pkt s GLU 65 Ca 0.22 0.19 -0.07 0.00 -0.41 0.00 0.00 54.97 54.90 1pkt s GLU 65 Cb -0.12 -0.82 -0.06 0.00 -1.78 0.00 0.00 34.13 31.34 1pkt s GLU 65 CO 0.98 -0.31 0.49 0.50 -0.49 0.00 0.00 175.26 176.43 1pkt s ARG 66 N 2.02 3.70 0.00 1.61 3.52 -1.26 -1.60 118.95 126.94 1pkt s ARG 66 Ca 0.05 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 1pkt s ARG 66 Cb -0.12 -2.72 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 1pkt s ARG 66 CO -0.04 0.35 0.00 0.41 -0.81 0.00 0.00 175.30 175.20 1pkt n GLY 67 N -0.23 -0.62 3.99 8.12 0.00 -1.06 -4.80 105.19 110.59 1pkt n GLY 67 Ca -0.01 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 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 4.68 -0.29 1.61 1.01 -0.70 -1.74 116.67 117.23 1pkt s ASP 68 Ca 0.00 -0.32 -0.31 0.00 0.71 0.00 0.00 52.55 52.63 1pkt s ASP 68 Cb 0.00 -0.22 0.19 0.00 1.01 0.00 0.00 42.92 43.90 1pkt s ASP 68 CO 0.00 -1.61 1.37 0.72 0.21 0.00 0.00 175.17 175.86 1pkt s PHE 69 N -2.99 -0.02 0.07 4.23 -0.71 -0.19 -2.42 117.98 115.94 1pkt s PHE 69 Ca 0.63 0.04 -0.31 0.00 -1.04 0.00 0.00 56.93 56.25 1pkt s PHE 69 Cb -0.07 0.50 -0.10 0.00 -1.21 0.00 0.00 43.02 42.14 1pkt s PHE 69 CO 0.42 -0.03 1.88 -2.30 -1.34 0.00 0.00 175.22 173.86 1pkt n PRO 70 N 0.41 2.73 0.17 1.99 -0.02 -1.26 -1.72 135.00 137.30 1pkt n PRO 70 Ca 0.01 1.00 0.02 0.00 -2.02 0.00 0.00 63.50 62.50 1pkt n PRO 70 Cb 0.58 -2.90 0.30 0.00 -0.02 0.00 0.00 33.50 31.46 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 9.24 0.00 1.85 -1.23 0.00 -1.60 -2.46 103.07 108.88 1pkt h GLY 71 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1pkt h GLY 71 CO 0.94 0.00 0.06 -0.91 0.00 0.00 0.00 176.54 176.63 1pkt h THR 72 N 0.00 0.00 -0.88 4.70 1.35 -1.78 -0.63 112.91 115.67 1pkt h THR 72 Ca -0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 66.41 65.35 1pkt h THR 72 Cb 0.82 0.46 -0.28 0.00 -1.73 0.00 0.00 68.15 67.43 1pkt h THR 72 CO 0.06 0.00 0.51 -1.22 -0.25 0.00 0.00 175.52 174.62 1pkt n TYR 73 N -2.25 2.76 -4.08 4.73 4.01 -0.93 -4.72 117.16 116.69 1pkt n TYR 73 Ca -0.01 -2.15 -0.15 0.00 -0.16 0.00 0.00 57.90 55.42 1pkt n TYR 73 Cb 0.09 -0.98 -0.04 0.00 -0.31 0.00 0.00 39.34 38.11 1pkt n TYR 73 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1pkt n VAL 74 N -1.06 0.00 -3.32 -0.72 0.24 -0.25 -1.03 118.33 112.18 1pkt n VAL 74 Ca 0.55 -1.83 -0.12 0.00 -2.04 0.00 0.00 64.34 60.90 1pkt n VAL 74 Cb 1.26 1.11 -0.06 0.00 -1.47 0.00 0.00 33.84 34.67 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 -2.84 0.68 -0.07 7.34 -1.05 0.10 -4.53 118.70 118.33 1pkt s GLU 75 Ca 0.30 -0.70 -0.36 0.00 -0.15 0.00 0.00 54.97 54.06 1pkt s GLU 75 Cb -0.01 -0.52 -0.14 0.00 -0.44 0.00 0.00 34.13 33.03 1pkt s GLU 75 CO 0.21 -1.19 1.73 0.98 0.95 0.00 0.00 175.26 177.94 1pkt n TYR 76 N 4.29 2.16 0.22 4.83 9.36 -1.26 -2.21 117.16 134.55 1pkt n TYR 76 Ca 0.11 0.25 0.04 0.00 3.32 0.00 0.00 57.90 61.62 1pkt n TYR 76 Cb 0.48 -2.56 -0.05 0.00 -0.63 0.00 0.00 39.34 36.58 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 4.39 0.00 0.00 2.97 5.41 -1.01 -4.94 119.36 126.17 1pkt n ILE 77 Ca 0.22 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1pkt n ILE 77 Cb 0.24 0.70 0.00 0.00 -0.71 0.00 0.00 39.64 39.87 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 1.55 0.84 0.00 7.39 0.00 -1.24 -5.05 105.19 108.68 1pkt n GLY 78 Ca 0.00 -1.65 0.10 0.00 0.00 0.00 0.00 46.02 44.47 1pkt n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86