#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 1.38 2.70 8.31 0.00 -1.26 -4.36 105.19 111.95 1pkt n GLY 5 Ca 0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 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 -6.30 0.03 -0.04 1.61 1.51 0.26 -4.30 117.35 110.12 1pkt s TYR 6 Ca 0.01 0.27 0.03 0.00 -1.01 0.00 0.00 57.07 56.37 1pkt s TYR 6 Cb -0.00 -0.43 0.01 0.00 -0.11 0.00 0.00 41.96 41.43 1pkt s TYR 6 CO 0.00 -0.18 -0.11 -1.14 -1.11 0.00 0.00 175.55 173.01 1pkt s GLN 7 N 2.02 1.31 0.43 -0.62 0.74 -0.62 0.67 119.66 123.58 1pkt s GLN 7 Ca 0.03 -0.37 0.03 0.00 0.05 0.00 0.00 55.36 55.10 1pkt s GLN 7 Cb -0.12 -1.16 -0.02 0.00 1.10 0.00 0.00 33.01 32.81 1pkt s GLN 7 CO -0.03 0.10 0.12 0.71 -0.55 0.00 0.00 175.29 175.63 1pkt s TYR 8 N 0.36 1.79 -0.17 1.67 2.02 -0.84 -1.93 117.35 120.24 1pkt s TYR 8 Ca -0.07 -1.26 0.01 0.00 -0.37 0.00 0.00 57.07 55.38 1pkt s TYR 8 Cb -0.12 -1.22 0.01 0.00 -0.40 0.00 0.00 41.96 40.24 1pkt s TYR 8 CO 0.02 -0.24 -0.19 0.50 -1.57 0.00 0.00 175.55 174.07 1pkt s ARG 9 N -3.72 3.05 -0.73 -0.62 3.52 -1.01 -2.24 118.95 117.20 1pkt s ARG 9 Ca 0.20 -0.81 -0.33 0.00 -0.13 0.00 0.00 55.73 54.66 1pkt s ARG 9 Cb 0.02 -2.59 -0.17 0.00 -1.56 0.00 0.00 34.95 30.65 1pkt s ARG 9 CO 0.13 -0.16 2.48 0.00 -0.81 0.00 0.00 175.30 176.94 1pkt n ALA 10 N 4.50 0.48 0.06 6.12 0.00 -0.21 -1.90 120.51 129.55 1pkt n ALA 10 Ca -0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 1pkt n ALA 10 Cb 0.50 -2.43 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 1pkt n ALA 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1pkt h LEU 11 N 12.78 -0.18 0.00 0.00 6.46 -1.14 -3.28 115.31 129.96 1pkt h LEU 11 Ca -0.12 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1pkt h LEU 11 Cb 1.33 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.30 1pkt h LEU 11 CO 1.24 0.07 0.00 -1.22 -0.62 0.00 0.00 178.44 177.91 1pkt n TYR 12 N -3.63 -0.20 -4.62 1.25 4.01 -0.98 -4.33 117.16 108.66 1pkt n TYR 12 Ca -0.03 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.41 1pkt n TYR 12 Cb 0.08 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.95 1pkt n TYR 12 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1pkt s ASP 13 N -1.00 2.69 -0.06 7.72 1.11 -1.26 -2.30 116.67 123.57 1pkt s ASP 13 Ca 0.00 -0.49 0.03 0.00 0.18 0.00 0.00 52.55 52.26 1pkt s ASP 13 Cb 0.00 -1.23 0.01 0.00 1.07 0.00 0.00 42.92 42.77 1pkt s ASP 13 CO 0.00 0.05 -0.13 -0.47 1.18 0.00 0.00 175.17 175.80 1pkt s TYR 14 N 0.84 1.49 0.98 4.23 5.04 0.05 -4.91 117.35 125.06 1pkt s TYR 14 Ca -0.09 -0.51 -0.16 0.00 -2.44 0.00 0.00 57.07 53.87 1pkt s TYR 14 Cb -0.15 -1.06 0.21 0.00 0.35 0.00 0.00 41.96 41.30 1pkt s TYR 14 CO -0.00 -0.24 1.32 0.15 -1.34 0.00 0.00 175.55 175.44 1pkt s LYS 15 N 0.48 0.51 -1.10 4.97 -0.14 -1.26 0.53 119.74 123.73 1pkt s LYS 15 Ca -0.11 -0.43 -0.04 0.00 -1.36 0.00 0.00 55.97 54.03 1pkt s LYS 15 Cb -0.14 -1.83 0.29 0.00 -1.68 0.00 0.00 37.83 34.47 1pkt s LYS 15 CO 0.03 -2.50 1.60 0.36 -0.76 0.00 0.00 175.35 174.09 1pkt n LYS 16 N -3.82 4.57 0.00 1.68 -0.00 -1.26 -4.63 118.16 114.70 1pkt n LYS 16 Ca 0.16 -4.45 0.00 0.00 -0.00 0.00 0.00 58.31 54.02 1pkt n LYS 16 Cb 0.59 -2.55 0.00 0.00 -0.00 0.00 0.00 35.03 33.08 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 1.35 0.00 -1.39 -1.58 -0.58 -1.26 -4.76 120.64 112.41 1pkt n GLU 17 Ca 0.32 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.63 1pkt n GLU 17 Cb 0.32 -0.58 0.00 0.00 -0.57 0.00 0.00 31.44 30.61 1pkt n GLU 17 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pkt n ARG 18 N -0.29 0.33 0.00 3.49 1.74 -1.26 -4.75 116.66 115.92 1pkt n ARG 18 Ca 0.00 0.12 0.06 0.00 -0.77 0.00 0.00 57.85 57.26 1pkt n ARG 18 Cb 0.00 -1.29 0.33 0.00 -1.02 0.00 0.00 32.46 30.48 1pkt n ARG 18 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pkt n GLU 19 N 0.89 0.19 -0.16 5.56 1.02 -1.26 -1.71 120.64 125.16 1pkt n GLU 19 Ca 0.12 0.16 0.07 0.00 -0.02 0.00 0.00 57.16 57.48 1pkt n GLU 19 Cb 0.39 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.46 1pkt n GLU 19 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pkt n GLU 20 N -1.28 2.40 -4.12 3.49 -0.58 -1.26 -4.99 120.64 114.30 1pkt n GLU 20 Ca 0.06 -1.95 -0.22 0.00 -0.42 0.00 0.00 57.16 54.63 1pkt n GLU 20 Cb 0.10 -1.30 -0.05 0.00 -0.57 0.00 0.00 31.44 29.63 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 -1.02 5.48 0.29 1.62 1.47 -0.70 -1.68 116.67 122.13 1pkt s ASP 21 Ca 0.25 -0.26 0.11 0.00 1.18 0.00 0.00 52.55 53.83 1pkt s ASP 21 Cb 0.13 -1.38 -0.05 0.00 -0.34 0.00 0.00 42.92 41.28 1pkt s ASP 21 CO 0.18 -0.02 -0.16 0.27 0.68 0.00 0.00 175.17 176.12 1pkt s ILE 22 N -2.10 2.49 0.75 2.11 -5.25 -0.92 -4.75 121.20 113.55 1pkt s ILE 22 Ca 0.33 -2.32 -0.15 0.00 -0.99 0.00 0.00 60.65 57.51 1pkt s ILE 22 Cb -0.08 -2.42 0.02 0.00 2.95 0.00 0.00 42.46 42.92 1pkt s ILE 22 CO 0.24 -0.35 0.92 0.47 -1.79 0.00 0.00 174.94 174.43 1pkt n ASP 23 N -0.68 0.19 -3.71 4.36 9.92 -1.26 -4.30 116.55 121.06 1pkt n ASP 23 Ca -0.05 0.62 -0.13 0.00 -0.53 0.00 0.00 54.79 54.70 1pkt n ASP 23 Cb 0.61 -1.39 -0.10 0.00 -0.64 0.00 0.00 41.12 39.60 1pkt n ASP 23 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1pkt s LEU 24 N -3.11 0.16 -0.27 0.64 2.96 0.19 -4.94 118.68 114.31 1pkt s LEU 24 Ca 0.71 0.93 -0.23 0.00 -0.22 0.00 0.00 54.13 55.32 1pkt s LEU 24 Cb -0.33 1.55 0.07 0.00 0.50 0.00 0.00 46.19 47.98 1pkt s LEU 24 CO 0.53 -0.17 0.71 -1.00 -1.32 0.00 0.00 176.35 175.09 1pkt s HIS 25 N 0.48 -0.84 0.57 5.38 3.76 -1.26 -0.77 115.29 122.61 1pkt s HIS 25 Ca -0.02 1.96 -0.18 0.00 -0.15 0.00 0.00 55.06 56.67 1pkt s HIS 25 Cb -0.04 0.35 -0.13 0.00 1.11 0.00 0.00 32.58 33.87 1pkt s HIS 25 CO -0.02 -0.41 0.01 -0.11 -0.85 0.00 0.00 174.74 173.36 1pkt n LEU 26 N 3.06 -2.55 0.00 0.89 7.94 -0.97 -1.18 117.00 124.19 1pkt n LEU 26 Ca -0.15 0.63 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 1pkt n LEU 26 Cb 0.56 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.57 1pkt n LEU 26 CO 0.02 -4.38 0.00 0.61 -1.11 0.00 0.00 177.39 172.53 1pkt n GLY 27 N 2.36 2.69 3.92 -3.96 0.00 -1.23 -5.01 105.19 103.95 1pkt n GLY 27 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.88 6.19 0.12 1.61 2.15 -0.32 -4.95 116.67 119.59 1pkt s ASP 28 Ca 0.00 0.69 0.10 0.00 0.43 0.00 0.00 52.55 53.78 1pkt s ASP 28 Cb 0.00 -2.08 -0.04 0.00 -0.30 0.00 0.00 42.92 40.51 1pkt s ASP 28 CO 0.00 -0.52 -0.24 -0.63 -0.17 0.00 0.00 175.17 173.60 1pkt s ILE 29 N -2.59 2.43 -0.25 4.11 -1.09 -1.26 -1.05 121.20 121.49 1pkt s ILE 29 Ca 0.45 -1.67 0.01 0.00 -2.23 0.00 0.00 60.65 57.22 1pkt s ILE 29 Cb -0.10 -2.08 0.06 0.00 -1.58 0.00 0.00 42.46 38.76 1pkt s ILE 29 CO 0.41 0.11 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.42 1pkt s LEU 30 N -2.05 2.81 -0.89 2.97 1.02 -0.95 -3.66 118.68 117.93 1pkt s LEU 30 Ca 0.15 -1.29 -0.19 0.00 0.02 0.00 0.00 54.13 52.82 1pkt s LEU 30 Cb -0.10 -1.24 0.12 0.00 0.02 0.00 0.00 46.19 44.98 1pkt s LEU 30 CO 0.07 -0.25 1.10 -0.89 0.02 0.00 0.00 176.35 176.41 1pkt s THR 31 N 1.33 4.66 -0.63 5.49 2.01 -1.03 -1.99 115.64 125.48 1pkt s THR 31 Ca -0.05 -1.40 -0.23 0.00 0.31 0.00 0.00 61.69 60.32 1pkt s THR 31 Cb -0.19 -4.77 0.06 0.00 0.01 0.00 0.00 72.50 67.61 1pkt s THR 31 CO -0.07 -1.50 0.97 -0.69 -0.69 0.00 0.00 174.62 172.64 1pkt s VAL 32 N 2.91 4.31 0.60 3.82 1.01 0.21 -1.63 120.40 131.63 1pkt s VAL 32 Ca 0.31 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.99 1pkt s VAL 32 Cb -0.07 -4.65 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 1pkt s VAL 32 CO -0.07 -1.37 1.12 0.20 0.00 0.00 0.00 175.10 174.98 1pkt s ASN 33 N 3.42 5.41 1.28 3.32 -0.87 -1.26 -0.57 114.94 125.67 1pkt s ASN 33 Ca 0.25 2.08 -0.19 0.00 -1.57 0.00 0.00 52.86 53.43 1pkt s ASN 33 Cb -0.15 -2.56 0.32 0.00 -0.02 0.00 0.00 41.25 38.83 1pkt s ASN 33 CO 0.13 -1.43 1.02 -1.59 -2.57 0.00 0.00 177.10 172.66 1pkt s LYS 34 N -3.71 -1.84 0.00 -0.60 0.00 -1.26 -3.76 119.74 108.56 1pkt s LYS 34 Ca 0.70 0.17 0.00 0.00 0.00 0.00 0.00 55.97 56.84 1pkt s LYS 34 Cb -0.22 -1.50 0.00 0.00 0.00 0.00 0.00 37.83 36.11 1pkt s LYS 34 CO 0.35 -4.17 0.00 0.41 0.00 0.00 0.00 175.35 171.93 1pkt n GLY 35 N 0.28 1.91 0.16 0.59 0.00 -1.26 -4.46 105.19 102.41 1pkt n GLY 35 Ca 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 1pkt n GLY 35 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pkt h SER 36 N 0.00 0.17 0.60 1.61 0.02 -1.96 0.13 113.55 114.12 1pkt h SER 36 Ca 0.00 -0.09 -0.24 0.00 -0.84 0.00 0.00 61.79 60.61 1pkt h SER 36 Cb 0.00 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1pkt h SER 36 CO 0.00 0.70 -1.56 0.25 -1.14 0.00 0.00 176.83 175.08 1pkt h LEU 37 N 0.12 0.00 -0.79 5.07 5.85 -1.78 -3.31 115.31 120.46 1pkt h LEU 37 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1pkt h LEU 37 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1pkt h LEU 37 CO 0.08 0.85 -0.10 0.52 -0.34 0.00 0.00 178.44 179.46 1pkt n VAL 38 N -3.01 0.00 0.16 1.05 0.31 -1.17 -3.93 118.33 111.74 1pkt n VAL 38 Ca -0.13 -0.21 0.07 0.00 -0.01 0.00 0.00 64.34 64.06 1pkt n VAL 38 Cb 0.97 0.47 0.36 0.00 -0.91 0.00 0.00 33.84 34.74 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 -0.13 1.14 -0.03 3.52 0.00 0.43 -1.18 120.51 124.26 1pkt n ALA 39 Ca 0.16 0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.65 1pkt n ALA 39 Cb 0.35 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.95 0.59 0.00 0.00 7.99 -1.25 -4.97 117.00 117.41 1pkt n LEU 40 Ca -0.00 0.27 0.00 0.00 -0.01 0.00 0.00 56.01 56.27 1pkt n LEU 40 Cb 0.05 0.22 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 1pkt n LEU 40 CO 0.08 0.33 0.00 0.61 -1.51 0.00 0.00 177.39 176.89 1pkt n GLY 41 N 1.54 1.87 0.00 -0.72 0.00 -0.32 -5.13 105.19 102.43 1pkt n GLY 41 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -1.45 -3.72 1.61 3.01 -1.26 -5.05 117.46 110.60 1pkt n PHE 42 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 1pkt n PHE 42 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 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 -1.85 -0.15 -0.66 4.37 0.15 -1.26 -5.02 113.70 109.27 1pkt s SER 43 Ca 0.00 -0.24 -0.26 0.00 0.70 0.00 0.00 55.95 56.15 1pkt s SER 43 Cb 0.00 0.40 -0.12 0.00 -1.71 0.00 0.00 66.02 64.59 1pkt s SER 43 CO 0.00 -0.70 2.43 -0.67 1.20 0.00 0.00 173.24 175.50 1pkt n ASP 44 N 0.28 1.83 0.00 5.45 2.03 -1.26 -1.42 116.55 123.45 1pkt n ASP 44 Ca -0.17 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.29 1pkt n ASP 44 Cb 0.61 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 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 6.32 3.66 0.03 0.27 0.00 -1.26 -4.92 105.19 109.29 1pkt n GLY 45 Ca 0.44 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 0.15 -0.09 1.61 6.02 -0.51 -3.62 117.38 120.94 1pkt n GLN 46 Ca 0.00 0.05 0.02 0.00 -0.01 0.00 0.00 57.00 57.06 1pkt n GLN 46 Cb 0.00 -1.60 0.06 0.00 1.02 0.00 0.00 30.24 29.73 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 -1.82 1.42 -0.00 -1.09 1.02 -1.22 -3.22 120.64 115.73 1pkt n GLU 47 Ca 0.05 -0.52 0.06 0.00 -0.02 0.00 0.00 57.16 56.73 1pkt n GLU 47 Cb 0.39 -1.23 -0.07 0.00 -0.02 0.00 0.00 31.44 30.50 1pkt n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pkt n ALA 48 N -0.04 3.65 -3.70 0.62 0.00 -1.24 -4.71 120.51 115.08 1pkt n ALA 48 Ca 0.05 -0.36 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 1pkt n ALA 48 Cb 0.19 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.33 2.26 0.32 0.00 5.12 -1.20 -4.12 116.66 117.72 1pkt n ARG 49 Ca 0.02 -4.54 0.20 0.00 -1.93 0.00 0.00 57.85 51.60 1pkt n ARG 49 Cb 0.21 -2.32 1.08 0.00 -1.16 0.00 0.00 32.46 30.27 1pkt n ARG 49 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1pkt h PRO 50 N 5.21 0.00 -0.02 5.56 0.13 -1.83 -1.90 132.00 139.15 1pkt h PRO 50 Ca 0.17 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1pkt h PRO 50 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 1pkt h PRO 50 CO 0.80 0.01 0.19 1.05 -0.23 0.00 0.00 178.00 179.81 1pkt h GLU 51 N 0.00 0.00 0.00 0.86 4.11 -1.85 -0.97 114.58 116.73 1pkt h GLU 51 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1pkt h GLU 51 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1pkt h GLU 51 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 1pkt n GLU 52 N -3.05 -0.35 0.07 1.06 1.02 -0.73 -4.52 120.64 114.13 1pkt n GLU 52 Ca -0.02 -0.53 -0.07 0.00 -0.02 0.00 0.00 57.16 56.52 1pkt n GLU 52 Cb 0.25 -0.90 -0.10 0.00 -0.02 0.00 0.00 31.44 30.66 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 0.25 1.69 0.00 -3.67 2.04 -1.01 -3.49 117.51 113.33 1pkt h ILE 53 Ca 0.00 -3.33 0.00 0.00 1.00 0.00 0.00 64.86 62.53 1pkt h ILE 53 Cb 0.17 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1pkt h ILE 53 CO 0.00 0.95 0.00 0.61 0.00 0.00 0.00 178.15 179.71 1pkt n GLY 54 N 1.29 2.15 3.14 5.37 0.00 -1.19 -4.94 105.19 111.01 1pkt n GLY 54 Ca -0.01 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.34 -0.03 1.61 0.52 -1.26 -2.41 118.94 117.04 1pkt s TRP 55 Ca 0.00 0.80 0.06 0.00 0.02 0.00 0.00 56.10 56.98 1pkt s TRP 55 Cb 0.00 0.10 -0.01 0.00 -1.15 0.00 0.00 33.47 32.41 1pkt s TRP 55 CO 0.00 -0.19 -0.20 -0.51 0.02 0.00 0.00 176.95 176.07 1pkt s LEU 56 N 0.56 2.01 -0.44 2.99 1.02 -0.77 -4.86 118.68 119.19 1pkt s LEU 56 Ca -0.03 -0.39 -0.19 0.00 0.02 0.00 0.00 54.13 53.54 1pkt s LEU 56 Cb -0.05 -1.08 0.03 0.00 0.02 0.00 0.00 46.19 45.11 1pkt s LEU 56 CO -0.03 0.23 0.57 0.21 0.02 0.00 0.00 176.35 177.35 1pkt s ASN 57 N -0.32 6.27 0.33 2.29 3.84 -1.26 -1.86 114.94 124.23 1pkt s ASN 57 Ca 0.04 -0.50 0.01 0.00 0.21 0.00 0.00 52.86 52.62 1pkt s ASN 57 Cb -0.10 -2.28 -0.00 0.00 -0.55 0.00 0.00 41.25 38.32 1pkt s ASN 57 CO 0.00 -0.72 0.04 0.61 -2.79 0.00 0.00 177.10 174.24 1pkt n GLY 58 N 5.07 3.66 3.19 1.21 0.00 -0.65 -4.16 105.19 113.51 1pkt n GLY 58 Ca -0.04 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.41 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 -2.40 3.25 -1.20 1.61 5.04 -0.65 -2.46 117.35 120.54 1pkt s TYR 59 Ca 0.05 -1.80 -0.20 0.00 -2.44 0.00 0.00 57.07 52.68 1pkt s TYR 59 Cb 0.00 -2.12 0.04 0.00 0.35 0.00 0.00 41.96 40.23 1pkt s TYR 59 CO 0.04 -0.79 1.71 -0.80 -1.34 0.00 0.00 175.55 174.37 1pkt s ASN 60 N 1.27 6.42 0.43 4.32 0.01 0.76 -2.47 114.94 125.68 1pkt s ASN 60 Ca -0.05 -2.02 0.17 0.00 -0.71 0.00 0.00 52.86 50.25 1pkt s ASN 60 Cb -0.20 -2.58 1.07 0.00 0.41 0.00 0.00 41.25 39.96 1pkt s ASN 60 CO -0.01 -1.60 1.89 -0.08 -1.51 0.00 0.00 177.10 175.80 1pkt h GLU 61 N 8.57 0.39 -0.92 -0.60 4.81 -1.79 0.51 114.58 125.55 1pkt h GLU 61 Ca 0.34 -0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.73 1pkt h GLU 61 Cb 0.92 -0.09 -0.11 0.00 0.63 0.00 0.00 28.75 30.10 1pkt h GLU 61 CO 1.41 0.26 0.49 1.15 -0.73 0.00 0.00 179.01 181.58 1pkt h THR 62 N 0.40 0.64 -0.13 0.32 2.02 -1.86 -0.45 112.91 113.86 1pkt h THR 62 Ca 0.41 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1pkt h THR 62 Cb 0.99 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1pkt h THR 62 CO -0.14 0.11 0.00 1.07 0.37 0.00 0.00 175.52 176.93 1pkt n THR 63 N -4.89 0.27 -3.56 3.16 5.66 0.03 -4.98 114.28 109.96 1pkt n THR 63 Ca 0.21 -0.63 -0.20 0.00 -3.05 0.00 0.00 64.05 60.37 1pkt n THR 63 Cb 0.55 1.08 0.07 0.00 -1.55 0.00 0.00 70.33 70.48 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 0.78 -0.39 3.26 1.09 0.00 0.16 -5.00 105.19 105.10 1pkt n GLY 64 Ca 0.10 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -5.77 1.30 0.04 1.61 0.41 -0.99 -4.99 118.70 110.31 1pkt s GLU 65 Ca 0.16 -1.69 -0.01 0.00 -0.41 0.00 0.00 54.97 53.02 1pkt s GLU 65 Cb -0.07 -0.02 -0.03 0.00 -1.78 0.00 0.00 34.13 32.23 1pkt s GLU 65 CO 0.76 -0.33 -0.03 0.50 -0.49 0.00 0.00 175.26 175.67 1pkt s ARG 66 N -4.09 0.52 0.00 1.61 3.52 -1.26 -0.17 118.95 119.09 1pkt s ARG 66 Ca 0.38 -1.03 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 1pkt s ARG 66 Cb 0.07 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.65 1pkt s ARG 66 CO 0.12 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.93 1pkt n GLY 67 N 0.56 -1.87 3.96 8.12 0.00 -1.03 -4.73 105.19 110.20 1pkt n GLY 67 Ca -0.17 -1.25 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 1pkt n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pkt s ASP 68 N -2.73 6.27 0.18 1.61 -1.08 -0.68 -1.64 116.67 118.60 1pkt s ASP 68 Ca 0.00 0.25 -0.21 0.00 -0.52 0.00 0.00 52.55 52.07 1pkt s ASP 68 Cb 0.00 -1.90 0.05 0.00 -1.46 0.00 0.00 42.92 39.61 1pkt s ASP 68 CO 0.00 -0.22 0.58 0.72 0.52 0.00 0.00 175.17 176.77 1pkt s PHE 69 N -2.17 -0.38 0.18 -5.34 -0.12 -0.78 -2.15 117.98 107.22 1pkt s PHE 69 Ca 0.38 0.10 -0.32 0.00 -0.05 0.00 0.00 56.93 57.04 1pkt s PHE 69 Cb -0.09 0.52 -0.11 0.00 -0.63 0.00 0.00 43.02 42.70 1pkt s PHE 69 CO 0.33 -0.90 1.78 -2.14 -0.05 0.00 0.00 175.22 174.23 1pkt s PRO 70 N -3.80 4.12 0.25 1.99 0.02 -1.26 -1.85 135.00 134.47 1pkt s PRO 70 Ca 0.04 2.62 0.05 0.00 0.02 0.00 0.00 61.00 63.73 1pkt s PRO 70 Cb -0.01 -3.27 0.28 0.00 0.02 0.00 0.00 34.50 31.52 1pkt s PRO 70 CO -0.08 -0.80 1.59 0.78 -0.33 0.00 0.00 177.00 178.16 1pkt h GLY 71 N 7.51 0.27 1.78 0.52 0.00 -1.61 -2.52 103.07 109.02 1pkt h GLY 71 Ca -0.44 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1pkt h GLY 71 CO 0.96 0.29 0.00 -1.30 0.00 0.00 0.00 176.54 176.48 1pkt n THR 72 N -3.90 0.91 0.07 4.70 -2.24 -1.19 -1.66 114.28 110.98 1pkt n THR 72 Ca -0.02 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.11 1pkt n THR 72 Cb 0.59 -1.02 0.26 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.39 0.68 -4.39 4.78 4.02 -0.95 -4.84 117.16 115.08 1pkt n TYR 73 Ca 0.04 -0.34 -0.20 0.00 -0.01 0.00 0.00 57.90 57.40 1pkt n TYR 73 Cb 0.12 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.34 1pkt n TYR 73 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1pkt s VAL 74 N -1.32 1.49 -0.45 -0.72 -7.23 -0.66 -0.60 120.40 110.90 1pkt s VAL 74 Ca 0.43 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1pkt s VAL 74 Cb 0.24 -2.35 0.14 0.00 0.56 0.00 0.00 36.38 34.97 1pkt s VAL 74 CO 0.32 -0.36 0.26 -1.83 -0.31 0.00 0.00 175.10 173.18 1pkt s GLU 75 N -3.75 1.36 0.30 4.82 -1.05 -0.80 -4.71 118.70 114.87 1pkt s GLU 75 Ca 0.28 -2.10 -0.25 0.00 -0.15 0.00 0.00 54.97 52.74 1pkt s GLU 75 Cb 0.04 -2.40 -0.16 0.00 -0.44 0.00 0.00 34.13 31.17 1pkt s GLU 75 CO 0.10 -1.17 0.39 0.98 0.95 0.00 0.00 175.26 176.51 1pkt n TYR 76 N 3.42 -0.98 -0.76 4.83 9.36 -1.26 -2.42 117.16 129.35 1pkt n TYR 76 Ca 0.10 0.80 0.00 0.00 3.32 0.00 0.00 57.90 62.12 1pkt n TYR 76 Cb 0.35 -1.91 0.00 0.00 -0.63 0.00 0.00 39.34 37.15 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 -0.42 0.09 0.00 2.97 5.41 -0.81 -4.83 119.36 121.76 1pkt n ILE 77 Ca 0.15 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1pkt n ILE 77 Cb 0.32 1.43 0.00 0.00 -0.71 0.00 0.00 39.64 40.68 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 -0.04 0.96 0.00 7.39 0.00 -1.23 -5.04 105.19 107.22 1pkt n GLY 78 Ca 0.00 -2.02 0.02 0.00 0.00 0.00 0.00 46.02 44.02 1pkt n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86