#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 0.21 3.06 0.62 0.00 -1.26 -4.09 105.19 103.73 1pkt n GLY 5 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 0.06 -0.21 1.61 2.02 0.68 -4.54 117.35 116.97 1pkt s TYR 6 Ca 0.00 -0.15 -0.04 0.00 -0.37 0.00 0.00 57.07 56.51 1pkt s TYR 6 Cb 0.00 -0.07 0.07 0.00 -0.40 0.00 0.00 41.96 41.56 1pkt s TYR 6 CO 0.00 -0.22 0.08 -0.65 -1.57 0.00 0.00 175.55 173.18 1pkt s GLN 7 N -1.15 0.32 0.47 -0.62 -0.21 -0.87 -0.25 119.66 117.35 1pkt s GLN 7 Ca -0.12 -0.34 0.08 0.00 0.02 0.00 0.00 55.36 54.99 1pkt s GLN 7 Cb -0.07 -1.82 0.02 0.00 1.00 0.00 0.00 33.01 32.14 1pkt s GLN 7 CO 0.01 -0.74 0.53 0.71 -2.12 0.00 0.00 175.29 173.68 1pkt s TYR 8 N 2.00 2.33 0.36 0.91 2.02 -0.89 -2.48 117.35 121.60 1pkt s TYR 8 Ca 0.03 -0.55 0.08 0.00 -0.37 0.00 0.00 57.07 56.25 1pkt s TYR 8 Cb -0.16 -2.22 -0.03 0.00 -0.40 0.00 0.00 41.96 39.14 1pkt s TYR 8 CO -0.15 -0.49 0.23 0.50 -1.57 0.00 0.00 175.55 174.08 1pkt s ARG 9 N -4.34 2.50 -0.65 -0.62 3.52 -0.96 -2.15 118.95 116.26 1pkt s ARG 9 Ca 0.52 -1.49 -0.21 0.00 -0.13 0.00 0.00 55.73 54.42 1pkt s ARG 9 Cb -0.06 -2.29 0.09 0.00 -1.56 0.00 0.00 34.95 31.13 1pkt s ARG 9 CO 0.31 0.04 0.88 0.00 -0.81 0.00 0.00 175.30 175.72 1pkt s ALA 10 N -2.41 3.24 0.06 6.12 0.00 0.05 -1.24 121.76 127.58 1pkt s ALA 10 Ca 0.41 -2.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 1pkt s ALA 10 Cb -0.03 -3.75 -0.28 0.00 0.00 0.00 0.00 23.12 19.05 1pkt s ALA 10 CO 0.25 -2.63 1.10 -0.07 0.00 0.00 0.00 175.76 174.40 1pkt h LEU 11 N 10.78 0.43 -9.14 0.00 3.38 -1.07 -2.16 115.31 117.54 1pkt h LEU 11 Ca -0.26 -0.47 -0.44 0.00 0.09 0.00 0.00 57.88 56.80 1pkt h LEU 11 Cb 1.07 -0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.55 1pkt h LEU 11 CO 1.15 1.37 -0.59 -0.31 0.09 0.00 0.00 178.44 180.14 1pkt s TYR 12 N -2.65 1.79 0.47 1.13 1.51 -0.85 -4.71 117.35 114.03 1pkt s TYR 12 Ca -0.05 -1.09 0.05 0.00 -1.01 0.00 0.00 57.07 54.97 1pkt s TYR 12 Cb 0.07 -1.12 0.08 0.00 -0.11 0.00 0.00 41.96 40.88 1pkt s TYR 12 CO 0.88 -0.17 0.64 -0.25 -1.11 0.00 0.00 175.55 175.54 1pkt n ASP 13 N -0.71 1.42 0.00 2.29 9.92 -1.26 -3.55 116.55 124.66 1pkt n ASP 13 Ca -0.02 -2.07 0.00 0.00 -0.53 0.00 0.00 54.79 52.17 1pkt n ASP 13 Cb 0.66 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 1pkt n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pkt n TYR 14 N -2.10 0.00 -2.77 1.24 9.36 -0.26 -4.84 117.16 117.78 1pkt n TYR 14 Ca 0.12 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.97 1pkt n TYR 14 Cb 0.45 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.09 1pkt n TYR 14 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1pkt s LYS 15 N 0.00 4.66 -0.81 2.98 1.02 -1.26 -0.97 119.74 125.35 1pkt s LYS 15 Ca 0.00 1.37 -0.25 0.00 0.02 0.00 0.00 55.97 57.11 1pkt s LYS 15 Cb 0.00 -2.93 -0.15 0.00 -0.52 0.00 0.00 37.83 34.23 1pkt s LYS 15 CO 0.00 0.35 2.39 0.36 -0.92 0.00 0.00 175.35 177.53 1pkt n LYS 16 N 0.81 0.51 0.00 1.68 2.85 -1.20 -4.78 118.16 118.04 1pkt n LYS 16 Ca 0.01 -0.88 0.00 0.00 -1.05 0.00 0.00 58.31 56.39 1pkt n LYS 16 Cb 0.49 -3.63 0.00 0.00 -0.65 0.00 0.00 35.03 31.24 1pkt n LYS 16 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1pkt n GLU 17 N 8.67 0.00 -1.61 -1.58 2.13 -1.26 -4.78 120.64 122.20 1pkt n GLU 17 Ca 0.47 0.50 -0.30 0.00 0.66 0.00 0.00 57.16 58.49 1pkt n GLU 17 Cb 0.42 -1.34 0.08 0.00 0.27 0.00 0.00 31.44 30.87 1pkt n GLU 17 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1pkt s ARG 18 N -2.37 2.28 0.00 5.31 0.52 -1.26 -4.90 118.95 118.53 1pkt s ARG 18 Ca 0.00 0.63 0.19 0.00 -0.52 0.00 0.00 55.73 56.03 1pkt s ARG 18 Cb 0.00 -1.94 1.11 0.00 0.52 0.00 0.00 34.95 34.64 1pkt s ARG 18 CO 0.00 -1.48 1.54 -0.85 0.02 0.00 0.00 175.30 174.53 1pkt n GLU 19 N -3.34 0.68 0.00 3.54 0.00 -1.26 -2.43 120.64 117.84 1pkt n GLU 19 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.31 1pkt n GLU 19 Cb 0.56 -1.43 -0.03 0.00 0.00 0.00 0.00 31.44 30.55 1pkt n GLU 19 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1pkt n GLU 20 N -0.93 1.62 -4.00 3.44 4.07 -1.26 -4.97 120.64 118.62 1pkt n GLU 20 Ca 0.14 -0.62 -0.27 0.00 -0.06 0.00 0.00 57.16 56.35 1pkt n GLU 20 Cb 0.06 -1.29 -0.04 0.00 -0.06 0.00 0.00 31.44 30.11 1pkt n GLU 20 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 1pkt s ASP 21 N -2.13 6.00 0.11 4.31 1.47 -1.02 -1.74 116.67 123.68 1pkt s ASP 21 Ca 0.12 0.06 0.01 0.00 1.18 0.00 0.00 52.55 53.92 1pkt s ASP 21 Cb 0.13 -1.72 0.01 0.00 -0.34 0.00 0.00 42.92 41.00 1pkt s ASP 21 CO 0.49 0.07 0.10 2.30 0.68 0.00 0.00 175.17 178.81 1pkt n ILE 22 N -0.36 0.00 -2.82 2.11 -6.64 -1.00 -4.64 119.36 106.00 1pkt n ILE 22 Ca -0.07 -0.43 -0.38 0.00 -1.77 0.00 0.00 62.75 60.09 1pkt n ILE 22 Cb 0.54 -0.50 -0.06 0.00 -1.44 0.00 0.00 39.64 38.18 1pkt n ILE 22 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 1pkt s ASP 23 N -1.67 7.44 -0.02 7.28 1.11 -1.26 -3.23 116.67 126.32 1pkt s ASP 23 Ca 0.07 1.82 0.03 0.00 0.18 0.00 0.00 52.55 54.66 1pkt s ASP 23 Cb -0.01 -2.57 -0.00 0.00 1.07 0.00 0.00 42.92 41.41 1pkt s ASP 23 CO 0.05 0.06 -0.10 -0.76 1.18 0.00 0.00 175.17 175.60 1pkt s LEU 24 N -1.61 1.92 -0.18 1.23 2.01 -0.15 -4.92 118.68 116.98 1pkt s LEU 24 Ca 0.44 -0.19 -0.15 0.00 0.01 0.00 0.00 54.13 54.25 1pkt s LEU 24 Cb -0.22 -0.55 0.05 0.00 0.01 0.00 0.00 46.19 45.48 1pkt s LEU 24 CO 0.27 0.10 0.47 -1.00 1.01 0.00 0.00 176.35 177.20 1pkt s HIS 25 N -0.05 -0.57 0.20 0.29 3.76 -1.26 -1.10 115.29 116.55 1pkt s HIS 25 Ca 0.01 1.33 -0.32 0.00 -0.15 0.00 0.00 55.06 55.93 1pkt s HIS 25 Cb -0.06 0.23 -0.15 0.00 1.11 0.00 0.00 32.58 33.71 1pkt s HIS 25 CO 0.00 -0.29 1.14 -0.11 -0.85 0.00 0.00 174.74 174.63 1pkt n LEU 26 N 3.29 1.64 0.00 0.89 0.00 -1.23 -1.15 117.00 120.44 1pkt n LEU 26 Ca -0.16 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.00 1pkt n LEU 26 Cb 0.56 -1.24 0.00 0.00 0.00 0.00 0.00 43.42 42.75 1pkt n LEU 26 CO 0.09 -1.29 0.00 0.61 0.00 0.00 0.00 177.39 176.80 1pkt n GLY 27 N 1.88 0.58 3.86 -3.96 0.00 -0.81 -4.98 105.19 101.77 1pkt n GLY 27 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.77 6.68 -0.17 1.61 2.15 -0.30 -4.84 116.67 119.03 1pkt s ASP 28 Ca 0.00 1.00 -0.08 0.00 0.43 0.00 0.00 52.55 53.89 1pkt s ASP 28 Cb 0.00 -2.26 -0.04 0.00 -0.30 0.00 0.00 42.92 40.32 1pkt s ASP 28 CO 0.00 -0.05 0.10 -0.63 -0.17 0.00 0.00 175.17 174.42 1pkt s ILE 29 N -1.77 5.15 -0.29 4.11 -1.09 -1.26 -0.77 121.20 125.28 1pkt s ILE 29 Ca 0.46 0.09 -0.02 0.00 -2.23 0.00 0.00 60.65 58.95 1pkt s ILE 29 Cb -0.12 -3.31 0.04 0.00 -1.58 0.00 0.00 42.46 37.49 1pkt s ILE 29 CO 0.20 0.49 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.63 1pkt s LEU 30 N 0.07 3.71 -0.74 2.97 1.02 -0.91 -1.74 118.68 123.06 1pkt s LEU 30 Ca 0.08 -1.12 -0.20 0.00 0.02 0.00 0.00 54.13 52.91 1pkt s LEU 30 Cb -0.12 -1.72 0.11 0.00 0.02 0.00 0.00 46.19 44.49 1pkt s LEU 30 CO -0.00 -0.22 0.92 -0.89 0.02 0.00 0.00 176.35 176.18 1pkt s THR 31 N 1.30 4.70 -0.54 5.49 2.01 -0.60 -2.10 115.64 125.90 1pkt s THR 31 Ca -0.03 -1.11 -0.17 0.00 0.31 0.00 0.00 61.69 60.69 1pkt s THR 31 Cb -0.19 -4.64 0.11 0.00 0.01 0.00 0.00 72.50 67.79 1pkt s THR 31 CO -0.02 -1.34 0.54 -0.69 -0.69 0.00 0.00 174.62 172.42 1pkt s VAL 32 N 2.91 5.09 0.99 3.82 1.01 0.66 -1.16 120.40 133.72 1pkt s VAL 32 Ca 0.22 -1.25 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 1pkt s VAL 32 Cb -0.15 -4.34 0.04 0.00 0.00 0.00 0.00 36.38 31.92 1pkt s VAL 32 CO 0.01 -0.89 -0.31 0.59 0.00 0.00 0.00 175.10 174.50 1pkt n ASN 33 N 5.57 -2.69 0.01 3.32 3.02 -1.26 -0.23 115.26 123.00 1pkt n ASN 33 Ca -0.12 -0.16 -0.03 0.00 -0.03 0.00 0.00 54.58 54.23 1pkt n ASN 33 Cb 0.41 -0.73 -0.11 0.00 -0.61 0.00 0.00 39.78 38.75 1pkt n ASN 33 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1pkt n LYS 34 N -0.37 0.63 -0.07 3.52 4.81 -1.26 -3.63 118.16 121.79 1pkt n LYS 34 Ca 0.01 0.25 -0.10 0.00 -0.87 0.00 0.00 58.31 57.60 1pkt n LYS 34 Cb 0.51 -1.80 -0.08 0.00 0.02 0.00 0.00 35.03 33.69 1pkt n LYS 34 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1pkt h GLY 35 N 3.64 0.00 1.21 3.14 0.00 -1.91 -1.20 103.07 107.95 1pkt h GLY 35 Ca -0.22 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.19 1pkt h GLY 35 CO 0.06 0.00 0.33 0.23 0.00 0.00 0.00 176.54 177.16 1pkt h SER 36 N -1.00 0.00 0.12 0.19 0.87 -1.94 0.37 113.55 112.15 1pkt h SER 36 Ca -0.04 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.16 1pkt h SER 36 Cb 0.69 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 1pkt h SER 36 CO -0.03 0.00 -1.94 -0.11 -0.53 0.00 0.00 176.83 174.22 1pkt n LEU 37 N -3.58 2.58 0.00 2.23 7.94 -1.24 -3.90 117.00 121.04 1pkt n LEU 37 Ca 0.03 0.23 0.15 0.00 -1.11 0.00 0.00 56.01 55.31 1pkt n LEU 37 Cb 0.46 -1.11 0.91 0.00 0.53 0.00 0.00 43.42 44.21 1pkt n LEU 37 CO 0.25 0.81 1.08 0.52 -1.11 0.00 0.00 177.39 178.94 1pkt n VAL 38 N -3.56 0.00 0.56 1.96 0.31 -0.44 -3.43 118.33 113.72 1pkt n VAL 38 Ca -0.32 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.07 1pkt n VAL 38 Cb 1.02 -0.48 0.30 0.00 -0.91 0.00 0.00 33.84 33.77 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 -0.98 1.70 -0.14 3.52 0.00 0.12 -1.62 120.51 123.11 1pkt n ALA 39 Ca 0.23 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.72 1pkt n ALA 39 Cb 0.11 -1.20 0.25 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.33 3.56 -0.16 0.00 7.99 -1.22 -4.93 117.00 120.91 1pkt n LEU 40 Ca 0.05 -1.84 -0.00 0.00 -0.01 0.00 0.00 56.01 54.21 1pkt n LEU 40 Cb 0.11 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.06 1pkt n LEU 40 CO 0.10 0.85 -0.00 0.61 -1.51 0.00 0.00 177.39 177.44 1pkt n GLY 41 N 1.34 0.48 0.00 -0.72 0.00 -0.64 -5.04 105.19 100.62 1pkt n GLY 41 Ca 0.20 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.67 -1.67 -4.48 1.61 3.01 -1.25 -5.04 117.46 105.96 1pkt n PHE 42 Ca -0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 1pkt n PHE 42 Cb 0.50 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.87 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 -1.94 2.91 -0.48 4.37 0.15 -1.26 -5.05 113.70 112.39 1pkt s SER 43 Ca 0.00 -1.30 -0.28 0.00 0.70 0.00 0.00 55.95 55.07 1pkt s SER 43 Cb 0.00 -0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.12 1pkt s SER 43 CO 0.00 -0.46 1.45 -0.62 1.20 0.00 0.00 173.24 174.81 1pkt s ASP 44 N -3.53 6.19 0.00 5.45 2.15 -1.26 -2.49 116.67 123.18 1pkt s ASP 44 Ca 0.34 0.61 0.00 0.00 0.43 0.00 0.00 52.55 53.93 1pkt s ASP 44 Cb 0.07 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1pkt s ASP 44 CO 0.15 -1.59 0.00 0.61 -0.17 0.00 0.00 175.17 174.16 1pkt n GLY 45 N 5.19 1.91 0.14 2.66 0.00 -1.26 -4.95 105.19 108.89 1pkt n GLY 45 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 0.91 0.43 -0.95 1.61 1.08 -1.89 -3.32 115.11 112.98 1pkt h GLN 46 Ca 0.00 -0.74 0.29 0.00 -1.45 0.00 0.00 58.65 56.75 1pkt h GLN 46 Cb 0.00 0.28 -0.16 0.00 -0.05 0.00 0.00 27.48 27.54 1pkt h GLN 46 CO 0.00 1.35 0.25 1.05 -0.95 0.00 0.00 178.83 180.54 1pkt h GLU 47 N 0.00 0.10 -1.82 1.46 9.09 -1.93 0.74 114.58 122.22 1pkt h GLU 47 Ca -0.27 -0.01 -0.25 0.00 0.05 0.00 0.00 59.36 58.89 1pkt h GLU 47 Cb 2.03 -0.02 -0.10 0.00 -1.65 0.00 0.00 28.75 29.01 1pkt h GLU 47 CO 0.21 0.07 0.16 0.00 0.05 0.00 0.00 179.01 179.49 1pkt n ALA 48 N -2.73 5.29 -2.93 1.06 0.00 -1.25 -4.21 120.51 115.75 1pkt n ALA 48 Ca 0.26 -1.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.06 1pkt n ALA 48 Cb 0.86 -1.58 0.03 0.00 0.00 0.00 0.00 19.45 18.76 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 1.13 0.93 0.13 0.00 5.12 0.26 -4.82 116.66 119.40 1pkt n ARG 49 Ca 0.28 -2.50 -0.13 0.00 -1.93 0.00 0.00 57.85 53.57 1pkt n ARG 49 Cb 0.61 -1.33 -0.06 0.00 -1.16 0.00 0.00 32.46 30.52 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 3.26 -0.54 -0.39 5.56 0.11 -1.76 0.47 132.00 138.72 1pkt h PRO 50 Ca -0.03 0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.23 1pkt h PRO 50 Cb 1.02 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1pkt h PRO 50 CO 0.31 -0.36 0.65 1.05 -0.21 0.00 0.00 178.00 179.45 1pkt h GLU 51 N -0.56 0.00 -1.36 1.05 4.11 -1.68 0.15 114.58 116.29 1pkt h GLU 51 Ca 0.02 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.89 1pkt h GLU 51 Cb 0.57 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.40 1pkt h GLU 51 CO -0.17 0.00 -0.78 0.39 0.07 0.00 0.00 179.01 178.52 1pkt n GLU 52 N -3.25 3.30 0.00 1.06 1.02 0.11 -4.62 120.64 118.26 1pkt n GLU 52 Ca 0.07 -4.37 0.00 0.00 -0.02 0.00 0.00 57.16 52.84 1pkt n GLU 52 Cb 0.80 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1pkt n GLU 52 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1pkt n ILE 53 N -0.49 0.00 0.00 -3.67 5.41 0.51 -4.91 119.36 116.21 1pkt n ILE 53 Ca 0.38 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.13 1pkt n ILE 53 Cb 0.72 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 39.21 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 2.12 2.30 2.90 7.39 0.00 -1.23 -4.96 105.19 113.71 1pkt n GLY 54 Ca 0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.22 0.21 1.61 0.52 -1.26 -2.51 118.94 117.28 1pkt s TRP 55 Ca 0.00 0.64 0.09 0.00 0.02 0.00 0.00 56.10 56.85 1pkt s TRP 55 Cb 0.00 -0.15 -0.04 0.00 -1.15 0.00 0.00 33.47 32.12 1pkt s TRP 55 CO 0.00 -0.25 -0.04 -0.51 0.02 0.00 0.00 176.95 176.17 1pkt s LEU 56 N 1.92 3.14 -0.34 2.99 1.02 -0.59 -4.82 118.68 122.01 1pkt s LEU 56 Ca -0.02 -0.55 -0.04 0.00 0.02 0.00 0.00 54.13 53.54 1pkt s LEU 56 Cb -0.12 -1.76 0.06 0.00 0.02 0.00 0.00 46.19 44.39 1pkt s LEU 56 CO -0.06 0.06 0.09 0.21 0.02 0.00 0.00 176.35 176.67 1pkt s ASN 57 N -3.16 5.15 0.00 2.29 3.84 -1.26 -1.05 114.94 120.75 1pkt s ASN 57 Ca 0.28 -1.39 0.00 0.00 0.21 0.00 0.00 52.86 51.96 1pkt s ASN 57 Cb -0.08 -1.80 0.00 0.00 -0.55 0.00 0.00 41.25 38.82 1pkt s ASN 57 CO 0.18 -0.36 0.00 0.61 -2.79 0.00 0.00 177.10 174.74 1pkt n GLY 58 N 4.70 5.56 3.03 1.21 0.00 -0.77 -4.29 105.19 114.64 1pkt n GLY 58 Ca -0.11 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.61 2.77 -1.21 1.61 5.04 -0.31 -2.53 117.35 122.11 1pkt s TYR 59 Ca 0.00 -1.88 -0.20 0.00 -2.44 0.00 0.00 57.07 52.56 1pkt s TYR 59 Cb 0.00 -1.78 0.05 0.00 0.35 0.00 0.00 41.96 40.58 1pkt s TYR 59 CO 0.00 -0.80 1.69 -0.80 -1.34 0.00 0.00 175.55 174.29 1pkt s ASN 60 N 1.28 6.58 0.32 4.32 0.02 0.21 -1.56 114.94 126.10 1pkt s ASN 60 Ca -0.04 -2.10 0.09 0.00 -1.02 0.00 0.00 52.86 49.79 1pkt s ASN 60 Cb -0.17 -2.58 0.92 0.00 0.02 0.00 0.00 41.25 39.44 1pkt s ASN 60 CO -0.08 -1.44 1.66 -0.08 0.02 0.00 0.00 177.10 177.18 1pkt h GLU 61 N 8.37 0.28 -0.01 -0.60 4.22 -1.59 0.65 114.58 125.90 1pkt h GLU 61 Ca 0.36 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.79 1pkt h GLU 61 Cb 0.91 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1pkt h GLU 61 CO 1.43 0.18 -0.02 1.15 -2.18 0.00 0.00 179.01 179.58 1pkt h THR 62 N 0.29 0.00 0.00 0.32 2.02 -1.87 0.02 112.91 113.69 1pkt h THR 62 Ca 0.65 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.83 1pkt h THR 62 Cb 1.42 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1pkt h THR 62 CO -0.62 0.00 0.00 1.07 0.37 0.00 0.00 175.52 176.34 1pkt n THR 63 N -2.69 0.00 -3.84 3.16 5.66 -0.79 -4.88 114.28 110.90 1pkt n THR 63 Ca -0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1pkt n THR 63 Cb 0.01 -0.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.53 1pkt n THR 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pkt n GLY 64 N 0.74 -0.26 3.45 1.09 0.00 0.22 -4.97 105.19 105.46 1pkt n GLY 64 Ca 0.12 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 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 -6.29 1.69 -0.02 1.61 0.41 -1.00 -4.97 118.70 110.12 1pkt s GLU 65 Ca 0.01 -1.96 -0.04 0.00 -0.41 0.00 0.00 54.97 52.57 1pkt s GLU 65 Cb -0.00 -0.78 0.00 0.00 -1.78 0.00 0.00 34.13 31.57 1pkt s GLU 65 CO 0.85 -0.25 0.10 0.50 -0.49 0.00 0.00 175.26 175.98 1pkt s ARG 66 N -3.87 0.25 0.00 1.61 3.52 -1.26 -0.62 118.95 118.57 1pkt s ARG 66 Ca 0.34 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.86 1pkt s ARG 66 Cb 0.07 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 1pkt s ARG 66 CO 0.15 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 175.00 1pkt n GLY 67 N 2.44 -1.14 3.97 8.12 0.00 -1.05 -4.71 105.19 112.82 1pkt n GLY 67 Ca -0.16 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 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 4.96 -0.22 1.61 1.47 -0.71 -1.84 116.67 117.94 1pkt s ASP 68 Ca 0.00 -0.01 -0.32 0.00 1.18 0.00 0.00 52.55 53.40 1pkt s ASP 68 Cb 0.00 -0.71 0.16 0.00 -0.34 0.00 0.00 42.92 42.03 1pkt s ASP 68 CO 0.00 -1.40 1.22 0.72 0.68 0.00 0.00 175.17 176.38 1pkt s PHE 69 N -2.94 -0.15 0.09 2.11 -0.71 -0.22 -2.39 117.98 113.77 1pkt s PHE 69 Ca 0.60 0.20 -0.32 0.00 -1.04 0.00 0.00 56.93 56.37 1pkt s PHE 69 Cb -0.09 0.49 -0.11 0.00 -1.21 0.00 0.00 43.02 42.10 1pkt s PHE 69 CO 0.41 -0.17 1.83 -2.30 -1.34 0.00 0.00 175.22 173.64 1pkt n PRO 70 N 0.32 2.62 0.24 1.99 -0.02 -1.26 -1.54 135.00 137.36 1pkt n PRO 70 Ca -0.02 0.95 0.16 0.00 -2.02 0.00 0.00 63.50 62.57 1pkt n PRO 70 Cb 0.58 -2.83 0.58 0.00 -0.02 0.00 0.00 33.50 31.82 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 8.52 0.00 2.00 -1.23 0.00 -1.67 -2.64 103.07 108.05 1pkt h GLY 71 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1pkt h GLY 71 CO 0.94 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 176.18 1pkt n THR 72 N -2.91 0.84 -0.86 4.70 -2.24 -1.25 -1.93 114.28 110.62 1pkt n THR 72 Ca 0.01 0.21 0.07 0.00 -2.27 0.00 0.00 64.05 62.08 1pkt n THR 72 Cb 0.32 -1.10 0.40 0.00 -2.10 0.00 0.00 70.33 67.85 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 -2.11 2.02 -4.19 4.78 4.01 -0.99 -4.77 117.16 115.90 1pkt n TYR 73 Ca 0.03 -0.71 -0.10 0.00 -0.16 0.00 0.00 57.90 56.95 1pkt n TYR 73 Cb 0.23 -0.48 -0.03 0.00 -0.31 0.00 0.00 39.34 38.75 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 0.70 0.00 -3.15 -0.72 0.24 -0.96 -0.55 118.33 113.89 1pkt n VAL 74 Ca 0.28 -1.00 -0.03 0.00 -2.04 0.00 0.00 64.34 61.55 1pkt n VAL 74 Cb 1.16 0.39 -0.02 0.00 -1.47 0.00 0.00 33.84 33.91 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 -2.64 0.85 0.10 7.34 -1.05 -0.37 -4.55 118.70 118.37 1pkt s GLU 75 Ca 0.10 -0.52 -0.35 0.00 -0.15 0.00 0.00 54.97 54.05 1pkt s GLU 75 Cb 0.00 -0.06 -0.18 0.00 -0.44 0.00 0.00 34.13 33.46 1pkt s GLU 75 CO 0.07 -1.22 1.01 0.98 0.95 0.00 0.00 175.26 177.05 1pkt n TYR 76 N 4.10 0.67 -0.27 4.83 4.19 -1.26 -2.26 117.16 127.16 1pkt n TYR 76 Ca 0.13 0.90 0.00 0.00 3.31 0.00 0.00 57.90 62.23 1pkt n TYR 76 Cb 0.55 -2.14 0.00 0.00 0.49 0.00 0.00 39.34 38.24 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 1.29 0.00 0.00 2.97 -0.00 -1.04 -4.88 119.36 117.70 1pkt n ILE 77 Ca 0.18 -0.27 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 1pkt n ILE 77 Cb 0.17 1.27 0.00 0.00 -0.00 0.00 0.00 39.64 41.08 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 0.22 1.20 0.89 7.39 0.00 -1.25 -5.06 105.19 108.59 1pkt n GLY 78 Ca 0.00 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.25 1pkt n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36