#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 -0.58 2.63 8.31 0.00 -1.25 -4.28 105.19 110.02 1pkt n GLY 5 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 0.66 -0.25 1.61 2.02 0.27 -4.36 117.35 115.29 1pkt s TYR 6 Ca 0.00 -0.85 -0.11 0.00 -0.37 0.00 0.00 57.07 55.74 1pkt s TYR 6 Cb 0.00 -1.00 -0.05 0.00 -0.40 0.00 0.00 41.96 40.52 1pkt s TYR 6 CO 0.00 -0.70 0.19 -0.65 -1.57 0.00 0.00 175.55 172.82 1pkt s GLN 7 N 1.98 4.03 0.42 -0.62 -0.21 -1.00 -1.31 119.66 122.94 1pkt s GLN 7 Ca 0.05 -0.26 0.07 0.00 0.02 0.00 0.00 55.36 55.24 1pkt s GLN 7 Cb -0.16 -3.59 -0.05 0.00 1.00 0.00 0.00 33.01 30.21 1pkt s GLN 7 CO -0.21 -0.04 0.21 0.71 -2.12 0.00 0.00 175.29 173.84 1pkt s TYR 8 N 1.35 2.60 0.00 0.91 2.02 -0.96 -2.57 117.35 120.69 1pkt s TYR 8 Ca 0.08 -0.58 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 1pkt s TYR 8 Cb -0.14 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.39 1pkt s TYR 8 CO 0.07 0.13 0.05 0.50 -1.57 0.00 0.00 175.55 174.74 1pkt s ARG 9 N -3.94 2.95 -0.75 -0.62 3.52 -1.04 -2.20 118.95 116.87 1pkt s ARG 9 Ca 0.42 -0.54 -0.26 0.00 -0.13 0.00 0.00 55.73 55.22 1pkt s ARG 9 Cb 0.03 -2.78 -0.00 0.00 -1.56 0.00 0.00 34.95 30.63 1pkt s ARG 9 CO 0.23 0.63 1.65 0.00 -0.81 0.00 0.00 175.30 177.01 1pkt s ALA 10 N -1.17 2.32 0.43 6.12 0.00 -1.03 -1.06 121.76 127.39 1pkt s ALA 10 Ca 0.22 -1.22 0.15 0.00 0.00 0.00 0.00 51.96 51.10 1pkt s ALA 10 Cb -0.12 -4.37 0.98 0.00 0.00 0.00 0.00 23.12 19.62 1pkt s ALA 10 CO 0.13 -3.84 1.97 -0.07 0.00 0.00 0.00 175.76 173.95 1pkt h LEU 11 N 15.21 0.00 0.00 0.00 3.38 -0.59 -3.29 115.31 130.02 1pkt h LEU 11 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1pkt h LEU 11 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1pkt h LEU 11 CO 1.26 0.21 0.00 -1.22 0.09 0.00 0.00 178.44 178.78 1pkt n TYR 12 N -4.26 0.00 -3.66 1.13 4.02 -1.05 -4.75 117.16 108.59 1pkt n TYR 12 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1pkt n TYR 12 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 1pkt n TYR 12 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1pkt n ASP 13 N 0.00 1.76 -3.62 7.72 5.75 -1.26 -2.36 116.55 124.54 1pkt n ASP 13 Ca 0.00 -0.78 -0.04 0.00 -0.01 0.00 0.00 54.79 53.96 1pkt n ASP 13 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 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 -0.35 -0.10 -0.19 2.11 5.04 0.92 -4.67 117.35 120.10 1pkt s TYR 14 Ca 0.00 0.11 0.13 0.00 -2.44 0.00 0.00 57.07 54.87 1pkt s TYR 14 Cb 0.00 0.50 0.39 0.00 0.35 0.00 0.00 41.96 43.20 1pkt s TYR 14 CO 0.00 -0.14 1.22 1.63 -1.34 0.00 0.00 175.55 176.93 1pkt n LYS 15 N 0.17 1.55 -3.23 4.97 5.02 -1.26 -2.32 118.16 123.06 1pkt n LYS 15 Ca 0.00 -3.10 -0.12 0.00 -2.02 0.00 0.00 58.31 53.08 1pkt n LYS 15 Cb 0.58 -1.61 0.01 0.00 -0.02 0.00 0.00 35.03 34.00 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 -1.19 -1.05 0.00 1.97 0.00 -1.23 -4.79 118.16 111.86 1pkt n LYS 16 Ca 0.19 1.15 0.00 0.00 0.00 0.00 0.00 58.31 59.66 1pkt n LYS 16 Cb 0.70 -1.77 0.00 0.00 0.00 0.00 0.00 35.03 33.96 1pkt n LYS 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1pkt n GLU 17 N 0.77 0.00 -0.99 1.64 1.02 -1.26 -4.89 120.64 116.93 1pkt n GLU 17 Ca -0.02 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.76 1pkt n GLU 17 Cb 0.51 -0.33 0.04 0.00 -0.02 0.00 0.00 31.44 31.64 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 -2.84 0.00 -0.03 3.49 5.12 -1.26 -4.72 116.66 116.41 1pkt n ARG 18 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 1pkt n ARG 18 Cb 0.32 -0.99 -0.01 0.00 -1.16 0.00 0.00 32.46 30.62 1pkt n ARG 18 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1pkt n GLU 19 N 2.47 -0.03 -2.57 5.56 0.28 -1.26 -2.65 120.64 122.44 1pkt n GLU 19 Ca -0.02 0.49 -0.16 0.00 -0.16 0.00 0.00 57.16 57.31 1pkt n GLU 19 Cb 0.58 -0.73 0.02 0.00 1.43 0.00 0.00 31.44 32.74 1pkt n GLU 19 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1pkt n GLU 20 N -2.82 2.21 -3.61 3.44 -0.58 -1.26 -5.08 120.64 112.93 1pkt n GLU 20 Ca 0.00 -3.81 -0.27 0.00 -0.42 0.00 0.00 57.16 52.66 1pkt n GLU 20 Cb 0.02 -1.72 -0.03 0.00 -0.57 0.00 0.00 31.44 29.15 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 -3.36 6.39 0.44 1.62 -4.77 -1.09 -2.50 116.67 113.41 1pkt s ASP 21 Ca 0.36 0.46 0.08 0.00 -3.30 0.00 0.00 52.55 50.15 1pkt s ASP 21 Cb 0.42 -2.03 0.00 0.00 -1.09 0.00 0.00 42.92 40.22 1pkt s ASP 21 CO -0.05 -0.09 0.48 0.27 0.70 0.00 0.00 175.17 176.48 1pkt s ILE 22 N -1.94 2.66 1.12 2.11 -5.25 -0.54 -4.32 121.20 115.05 1pkt s ILE 22 Ca 0.39 -1.20 -0.13 0.00 -0.99 0.00 0.00 60.65 58.72 1pkt s ILE 22 Cb -0.11 -2.86 0.26 0.00 2.95 0.00 0.00 42.46 42.69 1pkt s ILE 22 CO 0.30 0.00 1.05 -1.81 -1.79 0.00 0.00 174.94 172.68 1pkt s ASP 23 N -4.26 1.45 -0.07 4.36 1.01 -1.26 -3.52 116.67 114.36 1pkt s ASP 23 Ca 0.51 1.31 -0.19 0.00 0.71 0.00 0.00 52.55 54.89 1pkt s ASP 23 Cb -0.06 -2.05 0.04 0.00 1.01 0.00 0.00 42.92 41.87 1pkt s ASP 23 CO 0.30 -3.88 0.45 -0.22 0.21 0.00 0.00 175.17 172.03 1pkt s LEU 24 N -6.97 0.27 -0.22 1.23 2.96 -0.98 -4.82 118.68 110.16 1pkt s LEU 24 Ca 0.67 0.52 -0.20 0.00 -0.22 0.00 0.00 54.13 54.90 1pkt s LEU 24 Cb -0.22 1.69 0.06 0.00 0.50 0.00 0.00 46.19 48.22 1pkt s LEU 24 CO 0.62 -0.40 0.58 -1.00 -1.32 0.00 0.00 176.35 174.83 1pkt s HIS 25 N -0.80 -0.66 -0.03 5.38 3.76 -1.23 -0.06 115.29 121.66 1pkt s HIS 25 Ca -0.09 1.59 -0.34 0.00 -0.15 0.00 0.00 55.06 56.07 1pkt s HIS 25 Cb -0.03 0.25 -0.12 0.00 1.11 0.00 0.00 32.58 33.78 1pkt s HIS 25 CO 0.05 -0.32 1.82 -0.11 -0.85 0.00 0.00 174.74 175.32 1pkt n LEU 26 N 2.92 3.40 0.00 0.89 7.94 -1.00 -1.25 117.00 129.91 1pkt n LEU 26 Ca -0.14 0.99 0.00 0.00 -1.11 0.00 0.00 56.01 55.75 1pkt n LEU 26 Cb 0.56 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.12 1pkt n LEU 26 CO 0.07 -0.09 0.00 0.61 -1.11 0.00 0.00 177.39 176.87 1pkt n GLY 27 N 4.20 0.82 3.93 -3.96 0.00 -1.24 -5.02 105.19 103.93 1pkt n GLY 27 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1pkt n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pkt s ASP 28 N -1.67 5.85 -0.01 1.61 1.11 -0.38 -4.93 116.67 118.24 1pkt s ASP 28 Ca 0.00 0.52 0.08 0.00 0.18 0.00 0.00 52.55 53.33 1pkt s ASP 28 Cb 0.00 -1.72 -0.02 0.00 1.07 0.00 0.00 42.92 42.25 1pkt s ASP 28 CO 0.00 -0.77 -0.25 -0.63 1.18 0.00 0.00 175.17 174.70 1pkt s ILE 29 N -2.71 2.20 -0.24 0.77 -1.09 -1.26 -2.45 121.20 116.42 1pkt s ILE 29 Ca 0.49 -1.11 0.01 0.00 -2.23 0.00 0.00 60.65 57.82 1pkt s ILE 29 Cb -0.10 -1.79 0.04 0.00 -1.58 0.00 0.00 42.46 39.03 1pkt s ILE 29 CO 0.41 0.55 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.78 1pkt s LEU 30 N -0.73 3.04 -0.54 2.97 1.02 -0.93 -3.73 118.68 119.77 1pkt s LEU 30 Ca 0.11 -1.08 -0.23 0.00 0.02 0.00 0.00 54.13 52.94 1pkt s LEU 30 Cb -0.10 -1.56 0.04 0.00 0.02 0.00 0.00 46.19 44.60 1pkt s LEU 30 CO -0.00 -0.13 0.87 -0.89 0.02 0.00 0.00 176.35 176.22 1pkt s THR 31 N 1.20 4.50 -0.56 5.49 2.01 -0.79 -2.27 115.64 125.22 1pkt s THR 31 Ca -0.03 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1pkt s THR 31 Cb -0.17 -4.48 0.14 0.00 0.01 0.00 0.00 72.50 68.00 1pkt s THR 31 CO -0.07 -1.04 0.34 -0.69 -0.69 0.00 0.00 174.62 172.47 1pkt s VAL 32 N 3.65 3.20 0.97 3.82 1.01 -0.43 -1.61 120.40 131.00 1pkt s VAL 32 Ca 0.27 -3.04 -0.16 0.00 0.00 0.00 0.00 61.98 59.05 1pkt s VAL 32 Cb -0.14 -3.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.99 1pkt s VAL 32 CO 0.18 -0.83 -0.50 -3.20 0.00 0.00 0.00 175.10 170.74 1pkt n ASN 33 N 3.41 -5.05 -4.81 3.32 2.85 -1.26 -0.57 115.26 113.16 1pkt n ASN 33 Ca 0.06 0.24 -0.36 0.00 -0.11 0.00 0.00 54.58 54.41 1pkt n ASN 33 Cb 0.36 -0.87 -0.06 0.00 1.24 0.00 0.00 39.78 40.45 1pkt n ASN 33 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1pkt s LYS 34 N -2.32 4.32 0.00 1.20 -2.85 -1.26 -4.00 119.74 114.83 1pkt s LYS 34 Ca 0.45 0.99 0.00 0.00 -1.00 0.00 0.00 55.97 56.41 1pkt s LYS 34 Cb -0.20 -2.76 0.00 0.00 -2.06 0.00 0.00 37.83 32.81 1pkt s LYS 34 CO 0.79 0.31 0.00 0.41 0.10 0.00 0.00 175.35 176.96 1pkt n GLY 35 N 0.47 2.70 0.52 0.59 0.00 -1.26 -4.76 105.19 103.46 1pkt n GLY 35 Ca 0.00 -0.64 0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.00 0.29 1.61 4.64 -1.94 0.93 113.55 119.08 1pkt h SER 36 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1pkt h SER 36 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1pkt h SER 36 CO 0.00 0.00 -1.86 -0.11 -0.87 0.00 0.00 176.83 173.99 1pkt n LEU 37 N -3.73 1.89 0.00 5.97 7.94 -1.26 -3.78 117.00 124.03 1pkt n LEU 37 Ca 0.23 0.31 0.09 0.00 -1.11 0.00 0.00 56.01 55.52 1pkt n LEU 37 Cb 1.27 -0.57 0.56 0.00 0.53 0.00 0.00 43.42 45.21 1pkt n LEU 37 CO 0.32 0.65 0.84 0.52 -1.11 0.00 0.00 177.39 178.62 1pkt n VAL 38 N -3.30 0.00 0.15 1.96 0.31 0.29 -3.62 118.33 114.12 1pkt n VAL 38 Ca -0.25 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.16 1pkt n VAL 38 Cb 1.05 -0.32 0.40 0.00 -0.91 0.00 0.00 33.84 34.05 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 -0.81 1.11 0.05 3.52 0.00 0.69 -0.90 120.51 124.18 1pkt n ALA 39 Ca 0.14 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.81 1pkt n ALA 39 Cb 0.06 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.01 0.29 0.00 0.00 7.99 -1.24 -4.95 117.00 117.08 1pkt n LEU 40 Ca -0.00 0.09 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 1pkt n LEU 40 Cb 0.05 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.34 1pkt n LEU 40 CO 0.08 -0.05 0.00 0.61 -1.51 0.00 0.00 177.39 176.52 1pkt n GLY 41 N 1.24 1.95 0.00 -0.72 0.00 -0.08 -5.09 105.19 102.49 1pkt n GLY 41 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.16 0.00 -2.23 1.61 3.01 -1.25 -5.02 117.46 113.41 1pkt n PHE 42 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1pkt n PHE 42 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1pkt n PHE 42 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1pkt n SER 43 N 0.00 0.00 -3.57 4.37 2.88 -1.26 -4.97 113.62 111.07 1pkt n SER 43 Ca 0.00 -0.21 -0.41 0.00 -1.33 0.00 0.00 58.87 56.93 1pkt n SER 43 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1pkt n SER 43 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1pkt n ASP 44 N -0.20 7.38 0.00 -3.46 2.03 -1.26 -4.19 116.55 116.85 1pkt n ASP 44 Ca 0.00 -3.14 0.00 0.00 0.52 0.00 0.00 54.79 52.17 1pkt n ASP 44 Cb 0.00 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.01 1pkt n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pkt n GLY 45 N 1.96 1.53 0.15 0.27 0.00 -1.26 -4.99 105.19 102.85 1pkt n GLY 45 Ca 0.57 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.30 1.19 0.00 1.61 -0.06 -1.26 -3.70 117.38 114.86 1pkt n GLN 46 Ca 0.00 -0.29 0.06 0.00 -2.00 0.00 0.00 57.00 54.76 1pkt n GLN 46 Cb 0.00 -1.21 0.28 0.00 -4.06 0.00 0.00 30.24 25.24 1pkt n GLN 46 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1pkt n GLU 47 N -0.40 0.12 -0.19 3.69 0.00 -1.26 -2.28 120.64 120.33 1pkt n GLU 47 Ca 0.10 0.22 0.02 0.00 0.00 0.00 0.00 57.16 57.49 1pkt n GLU 47 Cb 0.11 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.14 1pkt n GLU 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pkt n ALA 48 N -1.35 2.74 -2.98 4.31 0.00 -1.24 -4.10 120.51 117.89 1pkt n ALA 48 Ca 0.05 -0.43 -0.24 0.00 0.00 0.00 0.00 53.44 52.81 1pkt n ALA 48 Cb 0.10 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 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 0.12 2.61 0.06 0.00 3.00 -0.96 -4.83 116.66 116.66 1pkt n ARG 49 Ca 0.07 -4.43 -0.16 0.00 -0.01 0.00 0.00 57.85 53.32 1pkt n ARG 49 Cb 0.39 -2.08 -0.10 0.00 0.00 0.00 0.00 32.46 30.67 1pkt n ARG 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1pkt h PRO 50 N 2.97 -0.65 0.00 5.56 0.11 -1.81 1.44 132.00 139.61 1pkt h PRO 50 Ca 0.13 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1pkt h PRO 50 Cb 0.66 0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1pkt h PRO 50 CO 0.73 -0.44 0.00 1.49 -0.21 0.00 0.00 178.00 179.57 1pkt h GLU 51 N -0.68 0.00 -0.39 1.05 4.81 -1.84 -1.39 114.58 116.14 1pkt h GLU 51 Ca 0.01 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1pkt h GLU 51 Cb 0.73 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.06 1pkt h GLU 51 CO -0.35 0.00 0.04 0.39 -0.73 0.00 0.00 179.01 178.36 1pkt n GLU 52 N -2.63 2.98 -0.01 1.92 -0.58 0.11 -4.51 120.64 117.91 1pkt n GLU 52 Ca 0.00 -2.98 -0.02 0.00 -0.42 0.00 0.00 57.16 53.74 1pkt n GLU 52 Cb 0.19 -1.94 -0.01 0.00 -0.57 0.00 0.00 31.44 29.11 1pkt n GLU 52 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1pkt n ILE 53 N -0.50 0.12 0.00 -3.67 5.41 0.45 -4.90 119.36 116.28 1pkt n ILE 53 Ca 0.28 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.99 1pkt n ILE 53 Cb 1.04 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.88 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 3.11 2.32 3.00 7.39 0.00 -1.15 -5.01 105.19 114.85 1pkt n GLY 54 Ca -0.04 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 0.10 0.08 1.61 0.52 -1.26 -2.42 118.94 117.57 1pkt s TRP 55 Ca 0.00 -0.22 0.01 0.00 0.02 0.00 0.00 56.10 55.91 1pkt s TRP 55 Cb 0.00 -0.09 -0.04 0.00 -1.15 0.00 0.00 33.47 32.19 1pkt s TRP 55 CO 0.00 -0.17 -0.06 -0.51 0.02 0.00 0.00 176.95 176.23 1pkt s LEU 56 N -1.00 2.49 -0.41 2.99 1.02 -0.78 -4.86 118.68 118.13 1pkt s LEU 56 Ca -0.11 -0.99 -0.04 0.00 0.02 0.00 0.00 54.13 53.01 1pkt s LEU 56 Cb -0.07 -0.01 0.11 0.00 0.02 0.00 0.00 46.19 46.25 1pkt s LEU 56 CO 0.00 -0.49 0.22 0.21 0.02 0.00 0.00 176.35 176.31 1pkt s ASN 57 N -2.95 5.34 0.51 2.29 3.04 -1.26 -1.32 114.94 120.59 1pkt s ASN 57 Ca 0.10 -1.94 0.01 0.00 0.04 0.00 0.00 52.86 51.07 1pkt s ASN 57 Cb 0.05 -1.86 -0.01 0.00 -1.54 0.00 0.00 41.25 37.89 1pkt s ASN 57 CO -0.06 -0.56 0.02 -0.83 -3.04 0.00 0.00 177.10 172.63 1pkt s GLY 58 N 1.96 3.01 -0.28 1.21 0.00 -0.58 -4.52 107.32 108.12 1pkt s GLY 58 Ca 0.07 -0.39 -0.04 0.00 0.00 0.00 0.00 44.72 44.36 1pkt s GLY 58 CO -0.03 -2.19 0.01 -0.47 0.00 0.00 0.00 173.10 170.42 1pkt s TYR 59 N -2.88 3.16 -1.32 1.90 6.14 -0.63 -1.62 117.35 122.10 1pkt s TYR 59 Ca 0.06 -1.45 -0.07 0.00 0.64 0.00 0.00 57.07 56.26 1pkt s TYR 59 Cb 0.01 -2.15 0.13 0.00 0.42 0.00 0.00 41.96 40.37 1pkt s TYR 59 CO 0.03 -0.70 2.19 0.09 0.64 0.00 0.00 175.55 177.80 1pkt n ASN 60 N 4.73 6.78 -0.30 4.32 3.02 0.16 -1.89 115.26 132.08 1pkt n ASN 60 Ca -0.15 -3.11 0.35 0.00 -0.03 0.00 0.00 54.58 51.64 1pkt n ASN 60 Cb 0.46 -1.42 0.70 0.00 -0.61 0.00 0.00 39.78 38.92 1pkt n ASN 60 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1pkt h GLU 61 N 5.11 0.00 -0.46 3.52 5.08 -1.66 0.18 114.58 126.36 1pkt h GLU 61 Ca 0.58 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 59.02 1pkt h GLU 61 Cb 0.44 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 1pkt h GLU 61 CO 1.56 0.00 -0.36 1.15 -1.00 0.00 0.00 179.01 180.36 1pkt h THR 62 N 0.00 0.18 0.00 1.13 2.02 -1.85 0.33 112.91 114.73 1pkt h THR 62 Ca 0.55 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.73 1pkt h THR 62 Cb 2.47 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1pkt h THR 62 CO -0.01 0.00 -0.37 1.07 0.37 0.00 0.00 175.52 176.58 1pkt n THR 63 N -5.42 0.02 -2.28 3.16 5.66 0.46 -4.93 114.28 110.95 1pkt n THR 63 Ca 0.01 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1pkt n THR 63 Cb 0.35 0.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 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 1.49 0.95 3.17 1.09 0.00 0.12 -5.07 105.19 106.93 1pkt n GLY 64 Ca 0.06 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 -4.55 0.95 -0.16 1.61 0.41 -1.08 -4.94 118.70 110.94 1pkt s GLU 65 Ca 0.00 -1.45 -0.04 0.00 -0.41 0.00 0.00 54.97 53.07 1pkt s GLU 65 Cb 0.00 0.13 0.08 0.00 -1.78 0.00 0.00 34.13 32.56 1pkt s GLU 65 CO 0.00 -0.23 0.23 0.50 -0.49 0.00 0.00 175.26 175.28 1pkt s ARG 66 N -4.01 0.15 0.00 1.61 3.52 -1.26 0.39 118.95 119.35 1pkt s ARG 66 Ca 0.23 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.30 1pkt s ARG 66 Cb 0.07 -0.60 0.00 0.00 -1.56 0.00 0.00 34.95 32.86 1pkt s ARG 66 CO 0.02 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.45 1pkt n GLY 67 N 5.33 2.75 3.93 8.12 0.00 -0.64 -4.94 105.19 119.74 1pkt n GLY 67 Ca -0.05 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 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 2.00 5.53 -0.13 1.61 1.01 -1.04 -1.52 116.67 124.13 1pkt s ASP 68 Ca 0.00 0.57 -0.32 0.00 0.71 0.00 0.00 52.55 53.50 1pkt s ASP 68 Cb 0.00 -1.56 0.13 0.00 1.01 0.00 0.00 42.92 42.50 1pkt s ASP 68 CO 0.00 -1.07 1.09 0.72 0.21 0.00 0.00 175.17 176.12 1pkt s PHE 69 N -2.93 -0.22 0.13 4.23 -0.71 -0.44 -1.47 117.98 116.58 1pkt s PHE 69 Ca 0.54 0.15 -0.31 0.00 -1.04 0.00 0.00 56.93 56.27 1pkt s PHE 69 Cb -0.10 0.52 -0.10 0.00 -1.21 0.00 0.00 43.02 42.12 1pkt s PHE 69 CO 0.43 -0.33 1.77 -2.14 -1.34 0.00 0.00 175.22 173.62 1pkt s PRO 70 N -2.57 4.15 0.24 1.99 0.02 -1.26 -1.86 135.00 135.71 1pkt s PRO 70 Ca 0.07 2.54 0.04 0.00 0.02 0.00 0.00 61.00 63.67 1pkt s PRO 70 Cb -0.01 -3.51 0.26 0.00 0.02 0.00 0.00 34.50 31.26 1pkt s PRO 70 CO -0.06 -0.80 1.57 0.78 -0.33 0.00 0.00 177.00 178.16 1pkt h GLY 71 N 8.28 0.28 1.99 0.52 0.00 -1.64 -2.55 103.07 109.96 1pkt h GLY 71 Ca -0.45 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1pkt h GLY 71 CO 0.94 0.31 0.00 -1.30 0.00 0.00 0.00 176.54 176.49 1pkt n THR 72 N -3.89 1.51 -0.56 4.70 -2.24 -1.21 -1.36 114.28 111.22 1pkt n THR 72 Ca -0.02 0.38 0.08 0.00 -2.27 0.00 0.00 64.05 62.22 1pkt n THR 72 Cb 0.61 -1.26 0.35 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.50 1.56 -4.33 4.78 4.02 -0.96 -4.81 117.16 115.91 1pkt n TYR 73 Ca 0.02 -0.60 -0.19 0.00 -0.01 0.00 0.00 57.90 57.12 1pkt n TYR 73 Cb 0.08 -0.29 -0.06 0.00 -0.02 0.00 0.00 39.34 39.05 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 0.98 0.00 -3.36 -0.72 0.24 -0.46 0.11 118.33 115.12 1pkt n VAL 74 Ca 0.25 -1.98 -0.18 0.00 -2.04 0.00 0.00 64.34 60.38 1pkt n VAL 74 Cb 0.92 0.84 -0.08 0.00 -1.47 0.00 0.00 33.84 34.05 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 -3.21 0.66 -0.11 7.34 -1.05 -0.22 -4.61 118.70 117.51 1pkt s GLU 75 Ca 0.24 -1.00 -0.38 0.00 -0.15 0.00 0.00 54.97 53.68 1pkt s GLU 75 Cb 0.01 -0.81 -0.15 0.00 -0.44 0.00 0.00 34.13 32.74 1pkt s GLU 75 CO 0.17 -1.21 1.63 0.98 0.95 0.00 0.00 175.26 177.78 1pkt n TYR 76 N 4.09 1.95 0.10 4.83 9.36 -1.26 -2.50 117.16 133.72 1pkt n TYR 76 Ca 0.13 0.47 0.03 0.00 3.32 0.00 0.00 57.90 61.85 1pkt n TYR 76 Cb 0.45 -2.46 -0.05 0.00 -0.63 0.00 0.00 39.34 36.65 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 3.96 0.00 0.00 2.97 5.41 -1.06 -4.95 119.36 125.68 1pkt n ILE 77 Ca 0.23 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1pkt n ILE 77 Cb 0.18 0.55 0.00 0.00 -0.71 0.00 0.00 39.64 39.66 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 1.80 -0.49 1.01 7.39 0.00 -1.23 -5.01 105.19 108.67 1pkt n GLY 78 Ca -0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1pkt n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36