#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 1.18 3.67 -1.84 0.00 -1.26 -4.80 105.19 102.13 1pkt n GLY 5 Ca 0.00 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.38 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 -1.14 3.34 -0.22 1.61 1.51 -0.40 -4.75 117.35 117.29 1pkt s TYR 6 Ca 0.00 1.46 0.01 0.00 -1.01 0.00 0.00 57.07 57.53 1pkt s TYR 6 Cb 0.00 -3.27 0.03 0.00 -0.11 0.00 0.00 41.96 38.61 1pkt s TYR 6 CO 0.00 -0.53 -0.14 -0.65 -1.11 0.00 0.00 175.55 173.12 1pkt s GLN 7 N 2.96 2.71 0.52 -0.62 -0.21 -0.85 -0.68 119.66 123.49 1pkt s GLN 7 Ca 0.46 -1.03 0.06 0.00 0.02 0.00 0.00 55.36 54.87 1pkt s GLN 7 Cb -0.16 -2.77 0.06 0.00 1.00 0.00 0.00 33.01 31.14 1pkt s GLN 7 CO 0.09 -0.37 0.52 0.66 -2.12 0.00 0.00 175.29 174.08 1pkt n TYR 8 N 4.57 -1.31 -5.12 0.91 4.01 -0.89 -1.59 117.16 117.74 1pkt n TYR 8 Ca -0.18 -2.08 -0.30 0.00 -0.16 0.00 0.00 57.90 55.18 1pkt n TYR 8 Cb 0.47 -0.45 -0.17 0.00 -0.31 0.00 0.00 39.34 38.88 1pkt n TYR 8 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1pkt s ARG 9 N -4.22 2.59 1.04 -0.72 6.06 -0.96 -2.42 118.95 120.31 1pkt s ARG 9 Ca 0.40 -0.81 -0.13 0.00 -2.50 0.00 0.00 55.73 52.69 1pkt s ARG 9 Cb -0.03 -2.07 0.17 0.00 0.06 0.00 0.00 34.95 33.08 1pkt s ARG 9 CO 0.25 0.24 0.83 0.00 -2.50 0.00 0.00 175.30 174.12 1pkt n ALA 10 N 3.31 -2.30 0.00 6.12 0.00 0.06 -0.85 120.51 126.85 1pkt n ALA 10 Ca -0.19 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1pkt n ALA 10 Cb 0.53 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 -3.68 0.22 0.00 0.00 4.77 0.22 -3.61 117.00 114.92 1pkt n LEU 11 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1pkt n LEU 11 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1pkt n LEU 11 CO 0.52 0.02 0.00 -1.22 -1.33 0.00 0.00 177.39 175.39 1pkt n TYR 12 N -1.60 0.00 -4.57 -1.77 4.02 -1.08 -4.43 117.16 107.72 1pkt n TYR 12 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.62 1pkt n TYR 12 Cb 0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.25 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 0.73 3.86 -0.30 7.72 -4.77 -1.26 0.21 116.67 122.85 1pkt s ASP 13 Ca 0.00 -1.29 -0.16 0.00 -3.30 0.00 0.00 52.55 47.80 1pkt s ASP 13 Cb 0.00 -0.39 0.17 0.00 -1.09 0.00 0.00 42.92 41.61 1pkt s ASP 13 CO 0.00 -0.36 1.05 -0.47 0.70 0.00 0.00 175.17 176.09 1pkt s TYR 14 N -2.67 -0.55 -0.58 2.11 5.04 0.13 -4.88 117.35 115.95 1pkt s TYR 14 Ca 0.34 0.93 -0.03 0.00 -2.44 0.00 0.00 57.07 55.87 1pkt s TYR 14 Cb 0.07 0.32 0.16 0.00 0.35 0.00 0.00 41.96 42.86 1pkt s TYR 14 CO 0.18 -0.28 2.53 1.63 -1.34 0.00 0.00 175.55 178.27 1pkt n LYS 15 N 4.93 2.51 -3.09 4.97 5.02 -1.26 -1.57 118.16 129.67 1pkt n LYS 15 Ca -0.08 -2.71 -0.00 0.00 -2.02 0.00 0.00 58.31 53.49 1pkt n LYS 15 Cb 0.53 -2.18 -0.00 0.00 -0.02 0.00 0.00 35.03 33.36 1pkt n LYS 15 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1pkt n LYS 16 N 0.41 -1.05 0.00 1.97 4.81 -0.97 -4.83 118.16 118.49 1pkt n LYS 16 Ca 0.50 1.20 0.00 0.00 -0.87 0.00 0.00 58.31 59.14 1pkt n LYS 16 Cb 0.45 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.11 1pkt n LYS 16 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1pkt n GLU 17 N 1.73 0.00 -3.29 1.64 1.02 -1.26 -4.86 120.64 115.63 1pkt n GLU 17 Ca -0.02 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 1pkt n GLU 17 Cb 0.29 -0.58 -0.05 0.00 -0.02 0.00 0.00 31.44 31.07 1pkt n GLU 17 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1pkt s ARG 18 N -0.28 3.86 0.62 3.49 1.81 -1.26 -4.91 118.95 122.28 1pkt s ARG 18 Ca 0.00 0.40 0.24 0.00 -1.72 0.00 0.00 55.73 54.65 1pkt s ARG 18 Cb 0.00 -2.56 1.11 0.00 -0.45 0.00 0.00 34.95 33.05 1pkt s ARG 18 CO 0.00 0.24 1.59 0.93 -0.68 0.00 0.00 175.30 177.37 1pkt h GLU 19 N 2.32 0.00 -0.08 3.54 5.08 -2.01 0.19 114.58 123.62 1pkt h GLU 19 Ca -0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1pkt h GLU 19 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1pkt h GLU 19 CO 0.67 0.00 -0.01 1.49 -1.00 0.00 0.00 179.01 180.17 1pkt h GLU 20 N 0.00 0.14 -7.56 2.33 4.57 -1.96 -3.44 114.58 108.66 1pkt h GLU 20 Ca 0.21 -0.05 -0.46 0.00 -1.18 0.00 0.00 59.36 57.88 1pkt h GLU 20 Cb 1.68 -0.01 0.11 0.00 -0.16 0.00 0.00 28.75 30.37 1pkt h GLU 20 CO -0.00 0.43 0.34 0.16 -1.18 0.00 0.00 179.01 178.77 1pkt s ASP 21 N -5.68 4.13 0.06 1.04 1.47 0.65 -2.54 116.67 115.80 1pkt s ASP 21 Ca -0.15 0.44 0.00 0.00 1.18 0.00 0.00 52.55 54.03 1pkt s ASP 21 Cb 0.04 -0.82 -0.00 0.00 -0.34 0.00 0.00 42.92 41.80 1pkt s ASP 21 CO 0.70 -2.09 0.01 2.30 0.68 0.00 0.00 175.17 176.77 1pkt n ILE 22 N -3.32 0.00 -3.25 2.11 -5.35 -0.79 -4.65 119.36 104.12 1pkt n ILE 22 Ca 0.11 -0.32 -0.41 0.00 -0.27 0.00 0.00 62.75 61.86 1pkt n ILE 22 Cb 0.60 0.10 -0.08 0.00 -1.74 0.00 0.00 39.64 38.52 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 -1.34 6.32 0.13 7.28 1.11 -1.26 -2.29 116.67 126.60 1pkt s ASP 23 Ca 0.02 -0.02 0.10 0.00 0.18 0.00 0.00 52.55 52.83 1pkt s ASP 23 Cb 0.00 -2.27 -0.04 0.00 1.07 0.00 0.00 42.92 41.69 1pkt s ASP 23 CO 0.01 -0.47 -0.25 -1.48 1.18 0.00 0.00 175.17 174.16 1pkt s LEU 24 N 2.38 2.32 -0.02 1.23 2.34 -0.61 -4.84 118.68 121.48 1pkt s LEU 24 Ca 0.18 -0.74 -0.16 0.00 0.06 0.00 0.00 54.13 53.48 1pkt s LEU 24 Cb -0.15 -1.13 0.03 0.00 -0.56 0.00 0.00 46.19 44.37 1pkt s LEU 24 CO 0.13 0.15 0.33 -1.00 -1.06 0.00 0.00 176.35 174.90 1pkt s HIS 25 N -1.12 -0.22 0.15 3.48 0.09 -1.25 0.21 115.29 116.63 1pkt s HIS 25 Ca 0.12 0.36 -0.32 0.00 -0.00 0.00 0.00 55.06 55.22 1pkt s HIS 25 Cb -0.10 0.12 -0.17 0.00 -0.00 0.00 0.00 32.58 32.43 1pkt s HIS 25 CO 0.06 -0.39 0.82 -0.11 -0.00 0.00 0.00 174.74 175.12 1pkt n LEU 26 N 1.35 -0.15 0.00 0.89 7.94 0.13 -0.05 117.00 127.12 1pkt n LEU 26 Ca -0.21 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.84 1pkt n LEU 26 Cb 0.56 -1.02 0.00 0.00 0.53 0.00 0.00 43.42 43.49 1pkt n LEU 26 CO 0.22 -2.26 0.00 0.61 -1.11 0.00 0.00 177.39 174.85 1pkt n GLY 27 N 1.81 0.81 3.60 -3.96 0.00 -1.24 -4.90 105.19 101.31 1pkt n GLY 27 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 6.49 0.12 1.61 -1.08 0.93 -4.76 116.67 117.20 1pkt s ASP 28 Ca 0.00 0.41 -0.30 0.00 -0.52 0.00 0.00 52.55 52.14 1pkt s ASP 28 Cb 0.00 -2.33 -0.06 0.00 -1.46 0.00 0.00 42.92 39.07 1pkt s ASP 28 CO 0.00 -0.48 0.96 -0.63 0.52 0.00 0.00 175.17 175.54 1pkt s ILE 29 N 2.61 4.47 -0.08 4.11 1.09 -1.26 -0.76 121.20 131.38 1pkt s ILE 29 Ca 0.25 2.07 0.02 0.00 -1.10 0.00 0.00 60.65 61.89 1pkt s ILE 29 Cb -0.15 -4.32 -0.02 0.00 -1.06 0.00 0.00 42.46 36.90 1pkt s ILE 29 CO 0.12 0.33 -0.13 -0.76 -0.10 0.00 0.00 174.94 174.40 1pkt s LEU 30 N -0.08 2.81 -0.60 2.97 1.02 -1.02 -2.09 118.68 121.69 1pkt s LEU 30 Ca 0.47 -0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.41 1pkt s LEU 30 Cb -0.24 -1.60 0.15 0.00 0.02 0.00 0.00 46.19 44.53 1pkt s LEU 30 CO 0.30 0.29 0.39 -0.89 0.02 0.00 0.00 176.35 176.46 1pkt s THR 31 N -0.40 3.27 -0.51 5.49 2.01 -0.10 -2.10 115.64 123.31 1pkt s THR 31 Ca 0.05 -3.21 -0.22 0.00 0.31 0.00 0.00 61.69 58.61 1pkt s THR 31 Cb -0.12 -3.17 0.04 0.00 0.01 0.00 0.00 72.50 69.26 1pkt s THR 31 CO 0.02 -0.86 0.80 -0.69 -0.69 0.00 0.00 174.62 173.20 1pkt s VAL 32 N -0.29 4.61 0.88 3.82 1.01 0.14 -1.81 120.40 128.76 1pkt s VAL 32 Ca 0.18 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 1pkt s VAL 32 Cb -0.21 -4.41 -0.01 0.00 0.00 0.00 0.00 36.38 31.75 1pkt s VAL 32 CO -0.03 -0.92 0.33 -3.20 0.00 0.00 0.00 175.10 171.27 1pkt n ASN 33 N 6.87 -2.20 -4.80 3.32 2.85 -1.26 -1.28 115.26 118.77 1pkt n ASN 33 Ca -0.01 0.40 -0.32 0.00 -0.11 0.00 0.00 54.58 54.54 1pkt n ASN 33 Cb 0.47 -1.16 0.03 0.00 1.24 0.00 0.00 39.78 40.36 1pkt n ASN 33 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1pkt s LYS 34 N -3.18 3.07 0.00 1.20 3.01 -1.26 -3.71 119.74 118.86 1pkt s LYS 34 Ca 0.58 1.18 0.00 0.00 -1.01 0.00 0.00 55.97 56.72 1pkt s LYS 34 Cb -0.25 -2.00 0.00 0.00 -1.01 0.00 0.00 37.83 34.57 1pkt s LYS 34 CO 0.66 -1.01 0.00 0.41 0.51 0.00 0.00 175.35 175.92 1pkt n GLY 35 N -1.14 1.89 0.38 -3.33 0.00 -1.26 -4.63 105.19 97.10 1pkt n GLY 35 Ca 0.09 -0.21 0.18 0.00 0.00 0.00 0.00 46.02 46.07 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 0.33 1.61 0.87 -1.94 0.53 113.55 114.95 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 -1.85 -0.11 -0.53 0.00 0.00 176.83 174.34 1pkt n LEU 37 N -3.29 1.61 -0.47 2.23 0.00 -1.26 -3.91 117.00 111.90 1pkt n LEU 37 Ca 0.05 0.32 0.13 0.00 0.00 0.00 0.00 56.01 56.50 1pkt n LEU 37 Cb 0.64 -0.37 0.49 0.00 0.00 0.00 0.00 43.42 44.19 1pkt n LEU 37 CO 0.20 0.59 0.84 0.52 0.00 0.00 0.00 177.39 179.54 1pkt n VAL 38 N -3.22 0.08 0.39 1.96 0.31 0.86 -3.91 118.33 114.80 1pkt n VAL 38 Ca -0.24 -0.27 0.05 0.00 -0.01 0.00 0.00 64.34 63.87 1pkt n VAL 38 Cb 1.05 0.38 0.22 0.00 -0.91 0.00 0.00 33.84 34.59 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 0.15 1.52 -0.86 3.52 0.00 0.15 -1.49 120.51 123.50 1pkt n ALA 39 Ca 0.18 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.66 1pkt n ALA 39 Cb 0.33 -1.16 0.32 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.41 4.61 -1.68 0.00 7.99 -1.25 -4.92 117.00 120.34 1pkt n LEU 40 Ca 0.03 -2.85 -0.10 0.00 -0.01 0.00 0.00 56.01 53.09 1pkt n LEU 40 Cb 0.10 -0.58 0.03 0.00 -0.11 0.00 0.00 43.42 42.86 1pkt n LEU 40 CO 0.08 0.68 0.08 0.61 -1.51 0.00 0.00 177.39 177.33 1pkt n GLY 41 N 0.18 0.30 0.00 -0.72 0.00 -0.55 -5.01 105.19 99.38 1pkt n GLY 41 Ca 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.60 -1.60 -3.88 1.61 3.01 -1.24 -4.96 117.46 106.79 1pkt n PHE 42 Ca -0.01 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.15 1pkt n PHE 42 Cb 0.53 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.85 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 -1.93 4.34 0.00 4.37 0.15 -1.26 -5.02 113.70 114.35 1pkt s SER 43 Ca 0.00 -2.14 0.00 0.00 0.70 0.00 0.00 55.95 54.51 1pkt s SER 43 Cb 0.00 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 1pkt s SER 43 CO 0.00 -0.36 0.00 -0.90 1.20 0.00 0.00 173.24 173.18 1pkt n ASP 44 N 4.24 0.00 0.00 5.45 5.68 -1.26 -0.87 116.55 129.79 1pkt n ASP 44 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1pkt n ASP 44 Cb 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1pkt n ASP 44 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pkt n GLY 45 N 0.00 1.01 0.56 6.12 0.00 -1.26 -4.96 105.19 106.66 1pkt n GLY 45 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 1.76 0.27 1.61 6.02 -0.05 -3.95 117.38 123.04 1pkt n GLN 46 Ca 0.00 -1.12 0.15 0.00 -0.01 0.00 0.00 57.00 56.02 1pkt n GLN 46 Cb 0.00 -1.44 0.77 0.00 1.02 0.00 0.00 30.24 30.58 1pkt n GLN 46 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1pkt h GLU 47 N 2.48 0.00 -0.50 -1.09 3.07 -1.93 -1.59 114.58 115.01 1pkt h GLU 47 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pkt h GLU 47 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1pkt h GLU 47 CO 0.00 0.09 0.00 0.00 -1.40 0.00 0.00 179.01 177.70 1pkt n ALA 48 N -2.21 3.52 -3.19 3.43 0.00 -1.25 -4.57 120.51 116.22 1pkt n ALA 48 Ca -0.01 -1.97 -0.24 0.00 0.00 0.00 0.00 53.44 51.22 1pkt n ALA 48 Cb 0.24 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 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 0.40 1.76 -0.01 0.00 5.12 -0.60 -4.57 116.66 118.76 1pkt n ARG 49 Ca 0.26 -3.97 0.08 0.00 -1.93 0.00 0.00 57.85 52.29 1pkt n ARG 49 Cb 1.07 -1.81 0.48 0.00 -1.16 0.00 0.00 32.46 31.03 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 3.56 0.43 -0.14 5.56 0.11 -1.81 -0.52 132.00 139.19 1pkt h PRO 50 Ca 0.12 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.25 1pkt h PRO 50 Cb 0.77 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1pkt h PRO 50 CO 0.64 0.28 0.10 1.05 -0.21 0.00 0.00 178.00 179.86 1pkt h GLU 51 N 0.44 0.00 -0.02 1.05 4.11 -1.83 -0.95 114.58 117.39 1pkt h GLU 51 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1pkt h GLU 51 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1pkt h GLU 51 CO -0.05 0.00 -0.01 0.39 0.07 0.00 0.00 179.01 179.41 1pkt n GLU 52 N -4.47 1.25 0.14 1.06 1.02 -0.33 -4.44 120.64 114.87 1pkt n GLU 52 Ca 0.00 -1.44 -0.23 0.00 -0.02 0.00 0.00 57.16 55.47 1pkt n GLU 52 Cb 0.22 -1.31 -0.16 0.00 -0.02 0.00 0.00 31.44 30.18 1pkt n GLU 52 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1pkt h ILE 53 N 3.12 1.31 0.00 -3.67 2.04 0.14 -3.49 117.51 116.96 1pkt h ILE 53 Ca 0.00 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 63.11 1pkt h ILE 53 Cb 0.67 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 1pkt h ILE 53 CO 0.00 0.82 0.00 0.61 0.00 0.00 0.00 178.15 179.58 1pkt n GLY 54 N 1.68 2.15 3.18 5.37 0.00 -1.15 -4.97 105.19 111.45 1pkt n GLY 54 Ca -0.16 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.30 -0.04 1.61 0.52 -1.26 -1.72 118.94 117.74 1pkt s TRP 55 Ca 0.00 0.72 0.02 0.00 0.02 0.00 0.00 56.10 56.86 1pkt s TRP 55 Cb 0.00 0.10 0.01 0.00 -1.15 0.00 0.00 33.47 32.43 1pkt s TRP 55 CO 0.00 -0.17 -0.10 -0.51 0.02 0.00 0.00 176.95 176.18 1pkt s LEU 56 N 0.01 1.68 -0.47 2.99 1.02 -0.72 -4.87 118.68 118.31 1pkt s LEU 56 Ca -0.01 -0.23 -0.16 0.00 0.02 0.00 0.00 54.13 53.75 1pkt s LEU 56 Cb -0.02 -0.67 0.07 0.00 0.02 0.00 0.00 46.19 45.59 1pkt s LEU 56 CO 0.01 0.05 0.40 0.21 0.02 0.00 0.00 176.35 177.03 1pkt s ASN 57 N 0.44 6.15 0.00 2.29 3.04 -1.26 -1.94 114.94 123.66 1pkt s ASN 57 Ca -0.08 -1.30 0.00 0.00 0.04 0.00 0.00 52.86 51.52 1pkt s ASN 57 Cb -0.12 -2.19 0.00 0.00 -1.54 0.00 0.00 41.25 37.40 1pkt s ASN 57 CO 0.02 -0.65 0.00 0.61 -3.04 0.00 0.00 177.10 174.04 1pkt n GLY 58 N 5.20 5.92 3.16 1.21 0.00 -0.81 -4.71 105.19 115.16 1pkt n GLY 58 Ca -0.12 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 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 0.44 3.21 -1.28 1.61 5.04 -0.75 -2.08 117.35 123.54 1pkt s TYR 59 Ca 0.00 -1.85 -0.18 0.00 -2.44 0.00 0.00 57.07 52.60 1pkt s TYR 59 Cb 0.00 -2.07 0.06 0.00 0.35 0.00 0.00 41.96 40.31 1pkt s TYR 59 CO 0.00 -0.80 1.74 -0.80 -1.34 0.00 0.00 175.55 174.35 1pkt s ASN 60 N 1.25 6.75 0.29 4.32 0.01 -0.60 -0.92 114.94 126.04 1pkt s ASN 60 Ca -0.04 -2.38 0.02 0.00 -0.71 0.00 0.00 52.86 49.75 1pkt s ASN 60 Cb -0.19 -2.58 0.72 0.00 0.41 0.00 0.00 41.25 39.61 1pkt s ASN 60 CO -0.03 -1.26 1.63 -0.33 -1.51 0.00 0.00 177.10 175.60 1pkt h GLU 61 N 7.74 0.16 0.00 -0.60 4.39 -1.72 1.02 114.58 125.57 1pkt h GLU 61 Ca 0.43 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.12 1pkt h GLU 61 Cb 0.88 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1pkt h GLU 61 CO 1.45 0.10 0.00 2.41 -1.16 0.00 0.00 179.01 181.81 1pkt n THR 62 N -5.28 0.00 1.35 1.13 -1.04 -1.26 -1.14 114.28 108.04 1pkt n THR 62 Ca 0.22 1.35 0.02 0.00 -2.04 0.00 0.00 64.05 63.59 1pkt n THR 62 Cb 0.70 -2.01 0.06 0.00 -1.82 0.00 0.00 70.33 67.27 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 -2.11 0.25 -4.29 12.58 -2.24 -0.93 -4.87 114.28 112.68 1pkt n THR 63 Ca 0.00 -0.19 -0.36 0.00 -2.27 0.00 0.00 64.05 61.24 1pkt n THR 63 Cb 0.00 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.11 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 0.54 -0.34 3.06 3.38 0.00 0.35 -4.91 105.19 107.27 1pkt n GLY 64 Ca 0.04 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -7.05 2.51 -0.05 1.61 0.41 -0.92 -4.92 118.70 110.30 1pkt s GLU 65 Ca 0.53 -0.86 -0.13 0.00 -0.41 0.00 0.00 54.97 54.10 1pkt s GLU 65 Cb -0.30 -2.49 -0.05 0.00 -1.78 0.00 0.00 34.13 29.51 1pkt s GLU 65 CO 0.96 -0.32 0.34 0.50 -0.49 0.00 0.00 175.26 176.25 1pkt s ARG 66 N 1.32 3.89 0.00 1.61 3.52 -1.26 -1.56 118.95 126.48 1pkt s ARG 66 Ca 0.01 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.87 1pkt s ARG 66 Cb -0.15 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1pkt s ARG 66 CO -0.10 0.62 0.00 0.41 -0.81 0.00 0.00 175.30 175.42 1pkt n GLY 67 N 2.15 -1.67 3.88 8.12 0.00 -0.88 -4.83 105.19 111.95 1pkt n GLY 67 Ca -0.15 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.40 6.54 0.15 1.61 1.01 -1.05 -1.92 116.67 120.60 1pkt s ASP 68 Ca 0.00 0.91 -0.18 0.00 0.71 0.00 0.00 52.55 54.00 1pkt s ASP 68 Cb 0.00 -2.23 0.04 0.00 1.01 0.00 0.00 42.92 41.74 1pkt s ASP 68 CO 0.00 -0.20 0.47 0.72 0.21 0.00 0.00 175.17 176.37 1pkt s PHE 69 N -2.05 -0.25 0.16 4.23 -0.12 -0.82 -1.89 117.98 117.25 1pkt s PHE 69 Ca 0.47 -0.06 -0.32 0.00 -0.05 0.00 0.00 56.93 56.98 1pkt s PHE 69 Cb -0.11 0.35 -0.11 0.00 -0.63 0.00 0.00 43.02 42.52 1pkt s PHE 69 CO 0.26 -0.78 1.78 -2.30 -0.05 0.00 0.00 175.22 174.14 1pkt n PRO 70 N -0.28 2.78 0.09 1.99 -0.02 -1.26 -1.76 135.00 136.53 1pkt n PRO 70 Ca -0.15 1.01 -0.04 0.00 -2.02 0.00 0.00 63.50 62.29 1pkt n PRO 70 Cb 0.64 -2.88 0.13 0.00 -0.02 0.00 0.00 33.50 31.36 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 7.72 0.22 1.87 -1.23 0.00 -1.50 -2.51 103.07 107.63 1pkt h GLY 71 Ca -0.45 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1pkt h GLY 71 CO 0.95 0.24 0.00 -1.30 0.00 0.00 0.00 176.54 176.43 1pkt n THR 72 N -3.86 0.90 1.19 4.70 -2.24 -1.22 -1.70 114.28 112.05 1pkt n THR 72 Ca -0.02 0.23 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 1pkt n THR 72 Cb 0.62 -0.99 0.25 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.43 0.00 -4.33 4.78 4.02 -0.95 -4.89 117.16 114.36 1pkt n TYR 73 Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.79 1pkt n TYR 73 Cb 0.15 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 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 0.55 0.00 -3.20 -0.72 0.24 -0.69 0.70 118.33 115.22 1pkt n VAL 74 Ca 0.15 -1.13 -0.04 0.00 -2.04 0.00 0.00 64.34 61.28 1pkt n VAL 74 Cb 0.47 0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 33.09 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 -2.83 0.81 -0.04 7.34 -1.05 -0.03 -4.72 118.70 118.19 1pkt s GLU 75 Ca 0.03 -0.54 -0.29 0.00 -0.15 0.00 0.00 54.97 54.01 1pkt s GLU 75 Cb 0.00 -0.15 -0.14 0.00 -0.44 0.00 0.00 34.13 33.40 1pkt s GLU 75 CO 0.02 -1.21 0.82 0.98 0.95 0.00 0.00 175.26 176.81 1pkt n TYR 76 N 4.17 0.55 0.14 4.83 9.36 -1.26 -2.28 117.16 132.67 1pkt n TYR 76 Ca 0.12 0.77 0.02 0.00 3.32 0.00 0.00 57.90 62.14 1pkt n TYR 76 Cb 0.54 -1.52 0.02 0.00 -0.63 0.00 0.00 39.34 37.74 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 1.28 0.09 0.00 2.97 2.08 -0.62 -4.81 119.36 120.34 1pkt n ILE 77 Ca 0.15 -0.54 0.00 0.00 0.56 0.00 0.00 62.75 62.92 1pkt n ILE 77 Cb 0.05 1.03 0.00 0.00 -0.75 0.00 0.00 39.64 39.97 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 0.19 1.02 0.00 7.39 0.00 -1.17 -5.00 105.19 107.61 1pkt n GLY 78 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1pkt n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36