#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppy s ILE 2 N 0.00 2.80 0.15 3.17 -1.09 -1.26 -1.14 121.20 123.82 1ppy s ILE 2 Ca 0.00 -0.74 -0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1ppy s ILE 2 Cb 0.00 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 1ppy s ILE 2 CO 0.00 0.52 0.32 -0.13 -1.23 0.00 0.00 174.94 174.42 1ppy s ARG 3 N 0.61 3.50 -0.25 2.79 1.81 -0.08 -4.90 118.95 122.43 1ppy s ARG 3 Ca -0.08 -0.39 -0.08 0.00 -1.72 0.00 0.00 55.73 53.46 1ppy s ARG 3 Cb -0.16 -2.91 -0.04 0.00 -0.45 0.00 0.00 34.95 31.39 1ppy s ARG 3 CO 0.03 0.48 0.10 0.99 -0.68 0.00 0.00 175.30 176.23 1ppy s THR 4 N -1.73 4.64 0.07 0.02 2.01 -1.26 -1.92 115.64 117.46 1ppy s THR 4 Ca 0.37 -0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.38 1ppy s THR 4 Cb -0.12 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 1ppy s THR 4 CO 0.28 0.33 -0.20 -0.04 -0.69 0.00 0.00 174.62 174.29 1ppy s MET 5 N 1.54 1.23 -0.04 4.92 1.00 0.08 -4.96 119.30 123.07 1ppy s MET 5 Ca 0.06 -1.02 -0.29 0.00 0.00 0.00 0.00 55.69 54.44 1ppy s MET 5 Cb -0.15 -1.40 -0.08 0.00 0.00 0.00 0.00 34.83 33.21 1ppy s MET 5 CO 0.05 0.34 2.02 -1.17 0.00 0.00 0.00 175.02 176.27 1ppy s LEU 6 N -1.48 4.14 -0.06 -0.03 2.96 -1.26 -0.92 118.68 122.02 1ppy s LEU 6 Ca 0.06 2.42 -0.22 0.00 -0.22 0.00 0.00 54.13 56.17 1ppy s LEU 6 Cb -0.09 -3.52 -0.31 0.00 0.50 0.00 0.00 46.19 42.77 1ppy s LEU 6 CO 0.03 -1.31 0.86 -0.61 -1.32 0.00 0.00 176.35 173.99 1ppy h GLN 7 N 11.82 0.26 -1.37 1.98 -0.00 -1.12 -3.38 115.11 123.31 1ppy h GLN 7 Ca -0.47 -0.45 0.36 0.00 -0.00 0.00 0.00 58.65 58.09 1ppy h GLN 7 Cb 1.23 0.17 -0.12 0.00 0.00 0.00 0.00 27.48 28.76 1ppy h GLN 7 CO 0.95 1.22 0.90 0.20 0.00 0.00 0.00 178.83 182.10 1ppy s GLY 8 N -4.44 -0.42 0.06 2.39 0.00 -1.15 -0.94 107.32 102.82 1ppy s GLY 8 Ca -0.15 0.71 -0.23 0.00 0.00 0.00 0.00 44.72 45.05 1ppy s GLY 8 CO 0.81 0.88 0.55 -1.59 0.00 0.00 0.00 173.10 173.75 1ppy s LYS 9 N -2.23 1.10 -0.32 2.90 -2.85 -0.01 -1.93 119.74 116.39 1ppy s LYS 9 Ca 0.16 -0.25 -0.10 0.00 -1.00 0.00 0.00 55.97 54.79 1ppy s LYS 9 Cb 0.05 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.33 1ppy s LYS 9 CO -0.05 -0.41 0.16 -0.51 0.10 0.00 0.00 175.35 174.64 1ppy s LEU 10 N -2.10 4.21 -0.38 2.77 1.43 0.36 -1.18 118.68 123.78 1ppy s LEU 10 Ca -0.04 -0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 52.27 1ppy s LEU 10 Cb -0.00 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.23 1ppy s LEU 10 CO -0.03 -0.23 0.41 -2.28 0.23 0.00 0.00 176.35 174.45 1ppy s HIS 11 N 1.59 3.19 -1.01 0.29 2.46 0.32 -1.68 115.29 120.45 1ppy s HIS 11 Ca 0.04 -0.19 -0.01 0.00 0.47 0.00 0.00 55.06 55.37 1ppy s HIS 11 Cb -0.17 -2.81 -0.01 0.00 -0.13 0.00 0.00 32.58 29.46 1ppy s HIS 11 CO 0.06 -0.58 0.85 0.54 -2.47 0.00 0.00 174.74 173.14 1ppy n ARG 12 N 5.53 -5.15 -2.22 2.88 1.74 -0.71 -3.03 116.66 115.71 1ppy n ARG 12 Ca -0.08 0.73 -0.31 0.00 -0.77 0.00 0.00 57.85 57.43 1ppy n ARG 12 Cb 0.48 -5.37 -0.01 0.00 -1.02 0.00 0.00 32.46 26.54 1ppy n ARG 12 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1ppy s VAL 13 N -3.31 4.71 -0.13 1.55 -7.23 -0.58 -4.62 120.40 110.79 1ppy s VAL 13 Ca 0.06 0.81 -0.05 0.00 -1.81 0.00 0.00 61.98 61.00 1ppy s VAL 13 Cb -0.01 -3.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.08 1ppy s VAL 13 CO 0.63 -0.93 0.04 -1.59 -0.31 0.00 0.00 175.10 172.94 1ppy s LYS 14 N -4.72 3.43 -0.02 4.82 0.00 -1.26 -0.75 119.74 121.23 1ppy s LYS 14 Ca 0.54 -0.35 -0.30 0.00 0.00 0.00 0.00 55.97 55.86 1ppy s LYS 14 Cb -0.11 -3.00 -0.05 0.00 0.00 0.00 0.00 37.83 34.67 1ppy s LYS 14 CO 0.45 0.54 1.51 0.08 0.00 0.00 0.00 175.35 177.93 1ppy s VAL 15 N -0.41 3.62 -0.13 1.79 1.01 -0.28 -4.37 120.40 121.63 1ppy s VAL 15 Ca 0.09 0.92 0.19 0.00 0.00 0.00 0.00 61.98 63.18 1ppy s VAL 15 Cb -0.12 -3.59 -0.28 0.00 0.00 0.00 0.00 36.38 32.38 1ppy s VAL 15 CO 0.02 -0.04 0.24 0.35 0.00 0.00 0.00 175.10 175.67 1ppy n THR 16 N 5.01 0.81 -3.91 3.92 -2.24 0.26 -0.85 114.28 117.28 1ppy n THR 16 Ca 0.15 -0.70 -0.10 0.00 -2.27 0.00 0.00 64.05 61.12 1ppy n THR 16 Cb 0.43 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.29 1ppy n THR 16 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ppy s HIS 17 N -2.91 0.12 -0.43 4.78 3.76 -1.12 -4.90 115.29 114.59 1ppy s HIS 17 Ca -0.09 -0.27 0.07 0.00 -0.15 0.00 0.00 55.06 54.62 1ppy s HIS 17 Cb 0.09 -0.10 0.18 0.00 1.11 0.00 0.00 32.58 33.86 1ppy s HIS 17 CO 0.85 -0.25 0.63 0.00 -0.85 0.00 0.00 174.74 175.12 1ppy s ALA 18 N -1.40 -2.16 -0.11 -1.40 0.00 -1.26 -1.88 121.76 113.54 1ppy s ALA 18 Ca -0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 1ppy s ALA 18 Cb -0.08 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 1ppy s ALA 18 CO 0.01 -2.22 0.02 0.16 0.00 0.00 0.00 175.76 173.73 1ppy s ASP 19 N 1.61 5.38 -0.55 0.00 -4.77 -1.23 -4.97 116.67 112.15 1ppy s ASP 19 Ca 0.19 0.15 -0.02 0.00 -3.30 0.00 0.00 52.55 49.57 1ppy s ASP 19 Cb -0.04 -1.65 0.33 0.00 -1.09 0.00 0.00 42.92 40.47 1ppy s ASP 19 CO -0.06 0.33 2.09 0.18 0.70 0.00 0.00 175.17 178.40 1ppy n LEU 20 N 2.47 7.17 -3.51 2.11 7.99 -1.26 -1.76 117.00 130.21 1ppy n LEU 20 Ca -0.18 -3.97 -0.27 0.00 -0.01 0.00 0.00 56.01 51.58 1ppy n LEU 20 Cb 0.53 -1.03 -0.14 0.00 -0.11 0.00 0.00 43.42 42.67 1ppy n LEU 20 CO 0.30 1.43 -0.30 -1.38 -1.51 0.00 0.00 177.39 175.93 1ppy s HIS 21 N -2.99 0.21 0.38 -1.77 -3.43 -1.26 -4.81 115.29 101.62 1ppy s HIS 21 Ca 0.51 -0.82 0.00 0.00 -0.80 0.00 0.00 55.06 53.96 1ppy s HIS 21 Cb 0.40 -0.82 0.00 0.00 -1.43 0.00 0.00 32.58 30.73 1ppy s HIS 21 CO -0.06 -0.85 0.00 0.98 -2.00 0.00 0.00 174.74 172.81 1ppy n TYR 22 N 5.16 -3.04 -0.21 0.38 4.19 -1.26 -4.73 117.16 117.66 1ppy n TYR 22 Ca -0.04 1.63 0.00 0.00 3.31 0.00 0.00 57.90 62.80 1ppy n TYR 22 Cb 0.42 -2.55 0.00 0.00 0.49 0.00 0.00 39.34 37.71 1ppy n TYR 22 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1ppy n GLU 23 N -1.38 1.52 -0.60 2.98 1.02 -1.26 -3.82 120.64 119.09 1ppy n GLU 23 Ca 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.09 1ppy n GLU 23 Cb 0.10 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1ppy n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ppy n GLY 24 N -0.29 0.71 3.52 0.62 0.00 -1.20 -4.84 105.19 103.71 1ppy n GLY 24 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1ppy n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ppy n SER 25 N 0.00 2.68 -4.15 1.61 3.41 -1.24 -4.54 113.62 111.39 1ppy n SER 25 Ca 0.00 -2.78 -0.33 0.00 -0.26 0.00 0.00 58.87 55.50 1ppy n SER 25 Cb 0.00 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 63.79 1ppy n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ppy s ALA 27 N 1.31 3.54 -0.07 0.00 0.00 0.83 -1.01 121.76 126.35 1ppy s ALA 27 Ca 0.03 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1ppy s ALA 27 Cb -0.14 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.47 1ppy s ALA 27 CO -0.10 0.07 -0.09 0.42 0.00 0.00 0.00 175.76 176.07 1ppy s ILE 28 N 0.43 0.92 -0.23 0.00 1.01 0.38 -1.01 121.20 122.70 1ppy s ILE 28 Ca 0.22 -0.31 -0.33 0.00 0.00 0.00 0.00 60.65 60.23 1ppy s ILE 28 Cb -0.14 -0.89 -0.15 0.00 0.01 0.00 0.00 42.46 41.29 1ppy s ILE 28 CO 0.08 0.32 1.03 -0.67 0.00 0.00 0.00 174.94 175.70 1ppy n ASP 29 N 4.21 0.56 -0.06 3.58 -0.08 -0.79 -0.51 116.55 123.46 1ppy n ASP 29 Ca -0.20 0.86 0.16 0.00 -1.51 0.00 0.00 54.79 54.11 1ppy n ASP 29 Cb 0.51 -0.65 0.59 0.00 2.34 0.00 0.00 41.12 43.90 1ppy n ASP 29 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1ppy h GLN 30 N 3.13 0.22 -0.98 -0.67 5.75 -1.57 0.46 115.11 121.43 1ppy h GLN 30 Ca -0.34 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.17 1ppy h GLN 30 Cb 1.02 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.46 1ppy h GLN 30 CO 0.63 0.14 0.65 -0.44 -2.65 0.00 0.00 178.83 177.16 1ppy h ASP 31 N 0.22 1.09 -0.20 -0.69 3.32 -1.87 0.83 116.42 119.13 1ppy h ASP 31 Ca 0.29 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 1ppy h ASP 31 Cb 0.83 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1ppy h ASP 31 CO -0.06 0.77 -0.05 -0.26 -1.72 0.00 0.00 179.24 177.92 1ppy h PHE 32 N 1.28 0.44 -0.51 4.55 0.04 -1.26 -2.32 116.94 119.16 1ppy h PHE 32 Ca 0.38 -0.10 0.05 0.00 2.80 0.00 0.00 57.97 61.11 1ppy h PHE 32 Cb -0.06 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 37.94 1ppy h PHE 32 CO -0.00 0.64 0.24 -0.07 -0.60 0.00 0.00 178.31 178.52 1ppy h LEU 33 N 0.10 0.32 -0.46 1.54 3.38 -1.21 -1.88 115.31 117.11 1ppy h LEU 33 Ca 0.05 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1ppy h LEU 33 Cb 0.50 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1ppy h LEU 33 CO 0.02 0.22 0.11 0.44 0.09 0.00 0.00 178.44 179.32 1ppy h ASP 34 N 0.46 0.05 -0.37 -0.43 3.32 -0.77 0.85 116.42 119.53 1ppy h ASP 34 Ca 0.23 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.27 1ppy h ASP 34 Cb 0.17 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1ppy h ASP 34 CO -0.18 0.06 -0.07 0.00 -1.72 0.00 0.00 179.24 177.32 1ppy h ALA 35 N 1.34 1.02 -0.01 3.45 0.00 -1.05 -3.19 119.26 120.82 1ppy h ALA 35 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ppy h ALA 35 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ppy h ALA 35 CO -0.28 0.59 -0.39 0.00 0.00 0.00 0.00 179.25 179.18 1ppy n ALA 36 N -2.48 3.36 -1.11 0.00 0.00 -0.74 -4.46 120.51 115.09 1ppy n ALA 36 Ca 0.02 -0.45 -0.04 0.00 0.00 0.00 0.00 53.44 52.97 1ppy n ALA 36 Cb 0.34 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 1ppy n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ppy n GLY 37 N 1.39 0.63 3.76 0.00 0.00 0.21 -4.13 105.19 107.07 1ppy n GLY 37 Ca 0.10 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1ppy n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ppy s ILE 38 N -1.96 4.62 0.08 -0.61 1.01 -0.72 -4.98 121.20 118.64 1ppy s ILE 38 Ca 0.00 1.58 0.01 0.00 0.00 0.00 0.00 60.65 62.24 1ppy s ILE 38 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1ppy s ILE 38 CO 0.00 0.44 0.20 -0.76 0.00 0.00 0.00 174.94 174.82 1ppy s LEU 39 N -0.55 4.25 0.26 2.97 1.43 -1.26 -4.57 118.68 121.21 1ppy s LEU 39 Ca 0.36 0.20 -0.31 0.00 -1.03 0.00 0.00 54.13 53.35 1ppy s LEU 39 Cb -0.21 -2.86 -0.13 0.00 0.03 0.00 0.00 46.19 43.02 1ppy s LEU 39 CO 0.23 0.15 1.44 1.21 0.23 0.00 0.00 176.35 179.61 1ppy n GLU 40 N 0.18 2.19 -0.96 1.70 2.13 -1.26 -1.74 120.64 122.87 1ppy n GLU 40 Ca -0.06 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.54 1ppy n GLU 40 Cb 0.52 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.77 1ppy n GLU 40 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ppy n ASN 41 N 2.04 -3.09 -4.75 4.31 3.02 0.10 -4.99 115.26 111.91 1ppy n ASN 41 Ca 0.10 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.25 1ppy n ASN 41 Cb 0.33 -1.35 -0.06 0.00 -0.61 0.00 0.00 39.78 38.10 1ppy n ASN 41 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1ppy s GLU 42 N -0.59 4.81 0.31 3.52 2.12 -0.71 -4.76 118.70 123.40 1ppy s GLU 42 Ca 0.00 1.51 -0.30 0.00 0.36 0.00 0.00 54.97 56.55 1ppy s GLU 42 Cb 0.00 -3.29 -0.12 0.00 0.26 0.00 0.00 34.13 30.99 1ppy s GLU 42 CO 0.00 0.44 1.56 0.00 -0.54 0.00 0.00 175.26 176.72 1ppy n ALA 43 N 1.68 2.41 -2.85 6.30 0.00 -1.26 -1.27 120.51 125.51 1ppy n ALA 43 Ca -0.01 0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.66 1ppy n ALA 43 Cb 0.47 -2.44 -0.12 0.00 0.00 0.00 0.00 19.45 17.37 1ppy n ALA 43 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1ppy s ILE 44 N -0.28 0.55 -0.05 0.00 -4.36 -0.29 -4.61 121.20 112.15 1ppy s ILE 44 Ca 0.62 -1.04 -0.03 0.00 -0.26 0.00 0.00 60.65 59.94 1ppy s ILE 44 Cb -0.50 -0.61 -0.04 0.00 1.25 0.00 0.00 42.46 42.56 1ppy s ILE 44 CO 0.52 -0.35 0.11 -1.81 0.24 0.00 0.00 174.94 173.66 1ppy s ASP 45 N -1.51 6.00 -0.09 4.36 1.01 0.50 -1.11 116.67 125.83 1ppy s ASP 45 Ca -0.09 0.29 0.02 0.00 0.71 0.00 0.00 52.55 53.47 1ppy s ASP 45 Cb -0.10 -1.83 0.02 0.00 1.01 0.00 0.00 42.92 42.02 1ppy s ASP 45 CO 0.00 0.32 -0.13 -0.63 0.21 0.00 0.00 175.17 174.95 1ppy s ILE 46 N -1.14 1.27 -0.28 0.77 1.01 0.10 -1.08 121.20 121.86 1ppy s ILE 46 Ca 0.21 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1ppy s ILE 46 Cb -0.12 -1.18 0.05 0.00 0.01 0.00 0.00 42.46 41.22 1ppy s ILE 46 CO 0.11 0.39 -0.06 0.26 0.00 0.00 0.00 174.94 175.65 1ppy s TRP 47 N 0.94 3.23 -0.54 3.97 0.51 -0.41 -1.18 118.94 125.46 1ppy s TRP 47 Ca -0.09 -2.01 -0.27 0.00 -2.12 0.00 0.00 56.10 51.61 1ppy s TRP 47 Cb -0.15 -2.03 0.03 0.00 -0.81 0.00 0.00 33.47 30.51 1ppy s TRP 47 CO 0.00 -0.83 1.12 1.21 -0.51 0.00 0.00 176.95 177.94 1ppy s ASN 48 N 1.20 6.47 0.31 2.95 3.84 0.28 -0.92 114.94 129.07 1ppy s ASN 48 Ca -0.06 0.11 0.06 0.00 0.21 0.00 0.00 52.86 53.18 1ppy s ASN 48 Cb -0.19 -2.52 0.50 0.00 -0.55 0.00 0.00 41.25 38.49 1ppy s ASN 48 CO -0.03 -1.36 1.74 0.58 -2.79 0.00 0.00 177.10 175.25 1ppy h VAL 49 N 6.15 1.28 -0.08 -5.21 2.07 -1.13 0.90 116.25 120.22 1ppy h VAL 49 Ca -0.25 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 65.89 1ppy h VAL 49 Cb 1.06 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1ppy h VAL 49 CO 1.14 0.40 -0.15 0.74 0.02 0.00 0.00 177.57 179.73 1ppy h THR 50 N 0.26 1.40 -0.01 2.57 2.02 -1.86 -3.37 112.91 113.92 1ppy h THR 50 Ca 0.03 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.78 1ppy h THR 50 Cb 0.70 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1ppy h THR 50 CO 0.05 0.41 -0.02 -0.46 0.37 0.00 0.00 175.52 175.87 1ppy n ASN 51 N -4.60 1.52 0.00 4.18 0.23 -1.24 -5.02 115.26 110.34 1ppy n ASN 51 Ca -0.08 -1.26 0.00 0.00 -0.53 0.00 0.00 54.58 52.71 1ppy n ASN 51 Cb 0.38 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 1ppy n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ppy n GLY 52 N 0.47 2.50 3.76 4.83 0.00 0.31 -5.02 105.19 112.04 1ppy n GLY 52 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1ppy n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ppy s LYS 53 N -0.09 3.50 -0.08 1.61 0.00 -1.25 -4.73 119.74 118.71 1ppy s LYS 53 Ca 0.00 2.24 -0.00 0.00 0.00 0.00 0.00 55.97 58.21 1ppy s LYS 53 Cb 0.00 -2.48 0.03 0.00 0.00 0.00 0.00 37.83 35.38 1ppy s LYS 53 CO 0.00 -0.91 -0.03 1.03 0.00 0.00 0.00 175.35 175.44 1ppy s ARG 54 N -2.64 0.94 0.24 1.78 0.52 -1.26 -0.56 118.95 117.98 1ppy s ARG 54 Ca 0.65 -0.05 -0.09 0.00 -0.52 0.00 0.00 55.73 55.71 1ppy s ARG 54 Cb -0.40 -1.12 -0.01 0.00 0.52 0.00 0.00 34.95 33.94 1ppy s ARG 54 CO 0.50 -0.23 0.39 -0.59 0.02 0.00 0.00 175.30 175.39 1ppy s PHE 55 N 1.61 0.61 0.00 -0.53 -0.71 -0.33 -5.00 117.98 113.63 1ppy s PHE 55 Ca 0.01 -0.92 0.04 0.00 -1.04 0.00 0.00 56.93 55.01 1ppy s PHE 55 Cb -0.13 -0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.66 1ppy s PHE 55 CO -0.04 -0.92 -0.14 -1.12 -1.34 0.00 0.00 175.22 171.66 1ppy s SER 56 N -3.07 1.60 0.00 1.98 0.01 -1.26 0.03 113.70 113.00 1ppy s SER 56 Ca 0.27 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1ppy s SER 56 Cb 0.01 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1ppy s SER 56 CO 0.11 0.13 0.00 1.07 0.41 0.00 0.00 173.24 174.95 1ppy n THR 57 N 2.51 0.00 -4.09 1.44 5.66 -0.27 -5.00 114.28 114.53 1ppy n THR 57 Ca -0.15 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.78 1ppy n THR 57 Cb 0.55 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.23 1ppy n THR 57 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1ppy s TYR 58 N 0.02 0.52 0.04 1.09 1.13 -1.26 -1.14 117.35 117.75 1ppy s TYR 58 Ca 0.00 -1.06 -0.14 0.00 -1.41 0.00 0.00 57.07 54.47 1ppy s TYR 58 Cb 0.00 -0.39 -0.06 0.00 -1.10 0.00 0.00 41.96 40.41 1ppy s TYR 58 CO 0.00 -0.37 0.43 0.00 -2.51 0.00 0.00 175.55 173.10 1ppy s ALA 59 N -3.88 3.69 0.15 9.51 0.00 -0.40 -1.61 121.76 129.22 1ppy s ALA 59 Ca 0.07 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.84 1ppy s ALA 59 Cb 0.08 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1ppy s ALA 59 CO -0.10 0.50 -0.10 0.96 0.00 0.00 0.00 175.76 177.02 1ppy s ILE 60 N -1.21 1.22 0.11 0.00 -4.36 -0.18 0.01 121.20 116.78 1ppy s ILE 60 Ca 0.28 -2.07 -0.27 0.00 -0.26 0.00 0.00 60.65 58.32 1ppy s ILE 60 Cb -0.16 -1.87 -0.06 0.00 1.25 0.00 0.00 42.46 41.62 1ppy s ILE 60 CO 0.16 -0.73 0.85 0.00 0.24 0.00 0.00 174.94 175.46 1ppy s ALA 61 N -3.30 3.34 0.29 2.27 0.00 -1.26 -0.47 121.76 122.62 1ppy s ALA 61 Ca 0.17 0.44 0.07 0.00 0.00 0.00 0.00 51.96 52.63 1ppy s ALA 61 Cb 0.02 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 1ppy s ALA 61 CO 0.01 0.09 0.31 0.00 0.00 0.00 0.00 175.76 176.17 1ppy s ALA 62 N -0.34 3.85 0.12 0.00 0.00 0.33 -4.64 121.76 121.09 1ppy s ALA 62 Ca 0.41 -1.45 -0.35 0.00 0.00 0.00 0.00 51.96 50.57 1ppy s ALA 62 Cb -0.23 -1.43 -0.15 0.00 0.00 0.00 0.00 23.12 21.31 1ppy s ALA 62 CO 0.27 0.13 1.47 -1.91 0.00 0.00 0.00 175.76 175.72 1ppy n GLU 63 N -1.37 1.66 -1.80 0.00 2.13 -1.26 -1.82 120.64 118.18 1ppy n GLU 63 Ca -0.05 0.60 -0.42 0.00 0.66 0.00 0.00 57.16 57.95 1ppy n GLU 63 Cb 0.58 -2.31 -0.03 0.00 0.27 0.00 0.00 31.44 29.95 1ppy n GLU 63 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1ppy s ARG 64 N 0.76 4.16 0.00 5.31 3.52 -1.26 -1.26 118.95 130.17 1ppy s ARG 64 Ca 0.82 2.52 0.00 0.00 -0.13 0.00 0.00 55.73 58.94 1ppy s ARG 64 Cb -0.81 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 29.46 1ppy s ARG 64 CO 0.42 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 1ppy n GLY 65 N 3.91 1.33 0.19 8.12 0.00 -1.26 -4.91 105.19 112.56 1ppy n GLY 65 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1ppy n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ppy h SER 66 N 0.00 0.00 -3.92 1.61 4.64 -1.54 -3.47 113.55 110.88 1ppy h SER 66 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1ppy h SER 66 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ppy h SER 66 CO 0.00 0.38 -0.50 0.54 -0.87 0.00 0.00 176.83 176.38 1ppy n ARG 67 N -3.58 -2.90 -2.87 4.77 1.74 -1.26 -4.97 116.66 107.59 1ppy n ARG 67 Ca -0.00 0.81 -0.40 0.00 -0.77 0.00 0.00 57.85 57.48 1ppy n ARG 67 Cb 0.50 -5.52 -0.05 0.00 -1.02 0.00 0.00 32.46 26.38 1ppy n ARG 67 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ppy s ILE 68 N -2.95 4.65 -0.28 0.55 1.01 -1.26 -4.86 121.20 118.05 1ppy s ILE 68 Ca 0.13 1.82 0.02 0.00 0.00 0.00 0.00 60.65 62.62 1ppy s ILE 68 Cb -0.06 -4.21 0.08 0.00 0.01 0.00 0.00 42.46 38.28 1ppy s ILE 68 CO 0.16 0.33 -0.02 -0.63 0.00 0.00 0.00 174.94 174.79 1ppy s ILE 69 N 0.04 1.86 -0.25 2.92 -1.09 -1.25 -1.88 121.20 121.53 1ppy s ILE 69 Ca 0.42 -1.70 -0.01 0.00 -2.23 0.00 0.00 60.65 57.13 1ppy s ILE 69 Cb -0.22 -2.19 0.04 0.00 -1.58 0.00 0.00 42.46 38.51 1ppy s ILE 69 CO 0.26 -0.30 -0.07 -0.55 -1.23 0.00 0.00 174.94 173.04 1ppy s SER 70 N 1.19 4.35 -0.48 3.58 0.15 -0.18 -0.57 113.70 121.73 1ppy s SER 70 Ca 0.00 -1.04 -0.18 0.00 0.70 0.00 0.00 55.95 55.44 1ppy s SER 70 Cb -0.19 -1.63 0.06 0.00 -1.71 0.00 0.00 66.02 62.54 1ppy s SER 70 CO -0.09 -0.15 0.52 -0.69 1.20 0.00 0.00 173.24 174.03 1ppy s VAL 71 N 1.26 5.03 0.39 4.45 1.01 -0.79 -0.12 120.40 131.64 1ppy s VAL 71 Ca -0.02 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.38 1ppy s VAL 71 Cb -0.18 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 1ppy s VAL 71 CO -0.05 -0.67 0.42 0.20 0.00 0.00 0.00 175.10 175.00 1ppy s ASN 72 N 2.52 5.34 1.10 3.32 0.02 -0.38 -3.47 114.94 123.38 1ppy s ASN 72 Ca 0.11 -0.56 0.00 0.00 -1.02 0.00 0.00 52.86 51.39 1ppy s ASN 72 Cb -0.21 -0.73 0.00 0.00 0.02 0.00 0.00 41.25 40.34 1ppy s ASN 72 CO 0.10 -0.60 0.00 0.61 0.02 0.00 0.00 177.10 177.23 1ppy n GLY 73 N -1.60 2.28 0.20 0.66 0.00 -0.72 -2.71 105.19 103.30 1ppy n GLY 73 Ca 0.03 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.65 1ppy n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ppy h ALA 74 N -0.67 1.41 0.00 4.61 0.00 -1.89 -2.74 119.26 119.98 1ppy h ALA 74 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ppy h ALA 74 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ppy h ALA 74 CO 0.00 0.39 -0.05 0.00 0.00 0.00 0.00 179.25 179.59 1ppy h ALA 75 N 1.69 1.40 -0.00 0.00 0.00 -1.80 -0.97 119.26 119.58 1ppy h ALA 75 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ppy h ALA 75 Cb 0.58 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ppy h ALA 75 CO 0.04 0.06 0.10 0.00 0.00 0.00 0.00 179.25 179.45 1ppy h ALA 76 N 1.95 1.12 0.00 0.00 0.00 -1.53 -3.14 119.26 117.65 1ppy h ALA 76 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ppy h ALA 76 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ppy h ALA 76 CO 0.01 -0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.88 1ppy n HIS 77 N -3.05 0.00 -1.14 0.00 8.25 -0.37 -4.72 115.22 114.19 1ppy n HIS 77 Ca -0.03 -0.19 -0.37 0.00 -0.26 0.00 0.00 57.72 56.87 1ppy n HIS 77 Cb 0.16 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 1ppy n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ppy n ALA 79 N 0.57 -2.74 -2.56 -1.41 0.00 -1.19 -5.19 120.51 107.99 1ppy n ALA 79 Ca 0.00 0.17 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 1ppy n ALA 79 Cb 0.23 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.30 1ppy n ALA 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ppy s SER 80 N -0.86 4.37 0.26 0.00 0.01 -1.26 -4.94 113.70 111.28 1ppy s SER 80 Ca 0.52 -0.84 -0.31 0.00 1.31 0.00 0.00 55.95 56.64 1ppy s SER 80 Cb -0.61 -0.66 -0.12 0.00 0.21 0.00 0.00 66.02 64.84 1ppy s SER 80 CO 0.53 -0.16 1.52 0.52 0.41 0.00 0.00 173.24 176.06 1ppy n VAL 81 N -0.96 0.92 0.00 3.43 0.31 -1.26 -1.87 118.33 118.90 1ppy n VAL 81 Ca -0.05 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1ppy n VAL 81 Cb 0.61 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1ppy n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ppy n GLY 82 N 2.27 1.21 3.77 2.92 0.00 -0.03 -4.98 105.19 110.34 1ppy n GLY 82 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1ppy n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ppy s ASP 83 N -2.15 6.75 -0.15 1.61 1.11 -0.78 -4.76 116.67 118.31 1ppy s ASP 83 Ca 0.00 2.39 -0.19 0.00 0.18 0.00 0.00 52.55 54.94 1ppy s ASP 83 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1ppy s ASP 83 CO 0.00 -0.52 0.51 -0.63 1.18 0.00 0.00 175.17 175.70 1ppy s ILE 84 N -1.31 5.15 0.16 0.77 -1.09 -1.26 -1.12 121.20 122.50 1ppy s ILE 84 Ca 0.52 0.98 0.03 0.00 -2.23 0.00 0.00 60.65 59.96 1ppy s ILE 84 Cb -0.33 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 1ppy s ILE 84 CO 0.42 0.27 -0.04 0.68 -1.23 0.00 0.00 174.94 175.03 1ppy s VAL 85 N 1.01 0.88 -0.12 2.92 -7.23 0.07 -0.56 120.40 117.37 1ppy s VAL 85 Ca 0.26 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1ppy s VAL 85 Cb -0.15 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 1ppy s VAL 85 CO 0.10 -0.61 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.47 1ppy s ILE 86 N -3.52 2.58 -0.16 -0.62 1.01 -0.10 -1.52 121.20 118.87 1ppy s ILE 86 Ca 0.20 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 1ppy s ILE 86 Cb 0.05 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 1ppy s ILE 86 CO 0.02 0.54 -0.12 -0.63 0.00 0.00 0.00 174.94 174.75 1ppy s ILE 87 N 0.34 2.98 0.05 2.92 1.01 -0.67 -1.29 121.20 126.54 1ppy s ILE 87 Ca -0.15 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 59.87 1ppy s ILE 87 Cb -0.17 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 1ppy s ILE 87 CO 0.07 0.50 -0.11 0.00 0.00 0.00 0.00 174.94 175.41 1ppy s ALA 88 N 0.73 0.88 0.12 9.38 0.00 -0.24 -0.49 121.76 132.14 1ppy s ALA 88 Ca -0.05 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.16 1ppy s ALA 88 Cb -0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1ppy s ALA 88 CO 0.02 0.10 -0.19 -1.54 0.00 0.00 0.00 175.76 174.14 1ppy s SER 89 N -1.45 2.45 0.05 0.00 1.04 -0.82 -0.37 113.70 114.61 1ppy s SER 89 Ca -0.04 -0.73 0.07 0.00 0.48 0.00 0.00 55.95 55.73 1ppy s SER 89 Cb -0.09 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 1ppy s SER 89 CO 0.01 0.01 -0.19 -0.36 0.98 0.00 0.00 173.24 173.68 1ppy s PHE 90 N -1.46 1.69 0.18 5.02 0.40 -1.26 -0.52 117.98 122.02 1ppy s PHE 90 Ca 0.08 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 1ppy s PHE 90 Cb -0.09 -0.99 -0.05 0.00 0.51 0.00 0.00 43.02 42.41 1ppy s PHE 90 CO 0.05 0.10 -0.04 0.14 0.70 0.00 0.00 175.22 176.16 1ppy s VAL 91 N -0.89 1.02 0.18 -0.44 -7.23 -0.10 -4.82 120.40 108.13 1ppy s VAL 91 Ca 0.06 -2.03 0.08 0.00 -1.81 0.00 0.00 61.98 58.28 1ppy s VAL 91 Cb -0.09 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 1ppy s VAL 91 CO 0.02 -0.53 -0.05 0.42 -0.31 0.00 0.00 175.10 174.64 1ppy s THR 92 N -3.42 3.43 0.01 5.32 -4.23 -1.26 -0.74 115.64 114.75 1ppy s THR 92 Ca 0.23 -1.55 -0.28 0.00 -1.18 0.00 0.00 61.69 58.90 1ppy s THR 92 Cb 0.04 -2.71 0.10 0.00 1.34 0.00 0.00 72.50 71.28 1ppy s THR 92 CO 0.04 -0.11 0.86 0.00 -0.54 0.00 0.00 174.62 174.87 1ppy s MET 93 N -2.87 0.87 0.52 3.99 0.23 -0.81 -4.98 119.30 116.24 1ppy s MET 93 Ca 0.26 -0.31 -0.22 0.00 -1.03 0.00 0.00 55.69 54.39 1ppy s MET 93 Cb -0.09 0.40 -0.07 0.00 -1.53 0.00 0.00 34.83 33.54 1ppy s MET 93 CO 0.17 -0.38 1.17 -2.30 -2.03 0.00 0.00 175.02 171.65 1ppy n PRO 94 N -0.25 1.46 -0.29 3.16 -0.02 -1.26 -0.91 135.00 136.90 1ppy n PRO 94 Ca -0.10 0.54 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1ppy n PRO 94 Cb 0.62 -2.33 0.26 0.00 -0.02 0.00 0.00 33.50 32.03 1ppy n PRO 94 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1ppy h ASP 95 N 1.32 -0.01 -0.89 2.55 3.58 -1.49 -0.21 116.42 121.27 1ppy h ASP 95 Ca -0.48 0.18 0.09 0.00 0.42 0.00 0.00 57.03 57.24 1ppy h ASP 95 Cb 1.32 0.25 -0.07 0.00 1.72 0.00 0.00 39.33 42.56 1ppy h ASP 95 CO 0.56 -0.12 0.54 -0.08 -2.88 0.00 0.00 179.24 177.25 1ppy h GLU 96 N 0.22 0.90 0.04 0.28 4.81 -1.90 -1.88 114.58 117.06 1ppy h GLU 96 Ca 0.51 -0.05 -0.26 0.00 -0.13 0.00 0.00 59.36 59.43 1ppy h GLU 96 Cb 0.99 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 30.18 1ppy h GLU 96 CO -0.62 0.60 -1.07 0.93 -0.73 0.00 0.00 179.01 178.12 1ppy h GLU 97 N 0.93 0.49 -0.14 1.92 5.08 -1.45 -3.29 114.58 118.11 1ppy h GLU 97 Ca 0.41 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1ppy h GLU 97 Cb 0.31 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ppy h GLU 97 CO -0.22 1.22 0.06 0.00 -1.00 0.00 0.00 179.01 179.07 1ppy h ALA 98 N 0.57 1.84 -0.04 3.43 0.00 -0.46 -2.16 119.26 122.43 1ppy h ALA 98 Ca -0.12 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ppy h ALA 98 Cb 1.72 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1ppy h ALA 98 CO 0.19 0.14 0.05 0.00 0.00 0.00 0.00 179.25 179.63 1ppy h ARG 99 N 0.20 0.00 -0.06 0.00 3.08 -1.44 -2.64 114.38 113.52 1ppy h ARG 99 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ppy h ARG 99 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1ppy h ARG 99 CO -0.01 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.14 1ppy n THR 100 N -3.88 1.03 -2.14 2.04 -2.24 -0.85 -5.06 114.28 103.19 1ppy n THR 100 Ca -0.02 -1.03 -0.40 0.00 -2.27 0.00 0.00 64.05 60.32 1ppy n THR 100 Cb 0.14 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 1ppy n THR 100 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1ppy s TRP 101 N -1.05 3.04 -0.11 4.78 -0.11 -1.00 -5.03 118.94 119.45 1ppy s TRP 101 Ca 0.05 1.44 0.00 0.00 1.22 0.00 0.00 56.10 58.81 1ppy s TRP 101 Cb 0.03 -3.64 0.02 0.00 -1.50 0.00 0.00 33.47 28.38 1ppy s TRP 101 CO 0.03 -1.79 -0.11 1.03 -4.62 0.00 0.00 176.95 171.49 1ppy s ARG 102 N -1.89 1.81 0.72 5.86 0.52 -1.26 -5.06 118.95 119.65 1ppy s ARG 102 Ca 0.51 -0.39 -0.11 0.00 -0.52 0.00 0.00 55.73 55.22 1ppy s ARG 102 Cb -0.38 -1.71 0.02 0.00 0.52 0.00 0.00 34.95 33.40 1ppy s ARG 102 CO 0.51 -0.19 1.07 -1.25 0.02 0.00 0.00 175.30 175.46 1ppy s PRO 103 N 1.40 2.70 -0.42 3.54 0.04 -1.26 -5.00 135.00 136.00 1ppy s PRO 103 Ca 0.00 1.00 -0.17 0.00 0.04 0.00 0.00 61.00 61.87 1ppy s PRO 103 Cb -0.13 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1ppy s PRO 103 CO -0.06 -1.28 0.40 -0.80 0.04 0.00 0.00 177.00 175.30 1ppy s ASN 104 N -3.69 6.17 -0.11 6.66 0.01 -0.12 -4.93 114.94 118.93 1ppy s ASN 104 Ca 0.59 -0.75 0.02 0.00 -0.71 0.00 0.00 52.86 52.01 1ppy s ASN 104 Cb -0.15 -2.20 -0.01 0.00 0.41 0.00 0.00 41.25 39.30 1ppy s ASN 104 CO 0.55 -0.55 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.73 1ppy s VAL 105 N 2.00 2.62 -0.08 1.60 1.01 -1.26 -0.83 120.40 125.46 1ppy s VAL 105 Ca 0.10 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1ppy s VAL 105 Cb -0.18 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1ppy s VAL 105 CO 0.12 0.54 -0.21 0.00 0.00 0.00 0.00 175.10 175.56 1ppy s ALA 106 N 0.26 2.32 0.09 5.51 0.00 -0.33 -4.93 121.76 124.68 1ppy s ALA 106 Ca -0.12 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 50.88 1ppy s ALA 106 Cb -0.16 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1ppy s ALA 106 CO 0.07 0.38 0.08 0.71 0.00 0.00 0.00 175.76 176.99 1ppy s TYR 107 N -0.04 3.17 0.07 0.00 2.02 -1.26 -0.52 117.35 120.79 1ppy s TYR 107 Ca -0.06 0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.73 1ppy s TYR 107 Cb -0.15 -1.60 -0.03 0.00 -0.40 0.00 0.00 41.96 39.78 1ppy s TYR 107 CO 0.05 0.52 -0.09 -0.06 -1.57 0.00 0.00 175.55 174.40 1ppy s PHE 108 N -1.41 0.88 0.32 2.71 0.40 -1.17 -1.25 117.98 118.46 1ppy s PHE 108 Ca 0.29 -0.65 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1ppy s PHE 108 Cb -0.12 -0.50 -0.03 0.00 0.51 0.00 0.00 43.02 42.87 1ppy s PHE 108 CO 0.22 -0.06 0.19 -1.21 0.70 0.00 0.00 175.22 175.06 1ppy s GLU 109 N -2.52 1.66 1.47 0.44 2.02 -0.75 -4.92 118.70 116.09 1ppy s GLU 109 Ca 0.01 -1.96 0.00 0.00 0.02 0.00 0.00 54.97 53.04 1ppy s GLU 109 Cb -0.04 0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.21 1ppy s GLU 109 CO -0.01 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.16 1ppy n GLY 110 N -0.61 2.26 3.22 -1.39 0.00 -1.26 -2.11 105.19 105.31 1ppy n GLY 110 Ca 0.02 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 1ppy n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ppy n ASP 111 N 0.43 5.48 -3.89 1.61 2.03 -1.26 -4.63 116.55 116.32 1ppy n ASP 111 Ca 0.00 -3.10 -0.30 0.00 0.52 0.00 0.00 54.79 51.91 1ppy n ASP 111 Cb 0.00 -1.45 0.02 0.00 -0.72 0.00 0.00 41.12 38.97 1ppy n ASP 111 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1ppy n ASN 112 N 3.74 -4.81 -4.66 1.67 3.02 -1.13 -4.96 115.26 108.13 1ppy n ASN 112 Ca 0.32 -0.76 -0.41 0.00 -0.03 0.00 0.00 54.58 53.69 1ppy n ASN 112 Cb 0.39 -3.84 -0.04 0.00 -0.61 0.00 0.00 39.78 35.67 1ppy n ASN 112 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ppy s GLU 113 N -6.60 4.25 0.21 3.52 2.02 -0.90 -4.93 118.70 116.27 1ppy s GLU 113 Ca 0.66 0.97 -0.30 0.00 0.02 0.00 0.00 54.97 56.32 1ppy s GLU 113 Cb -0.33 -3.60 -0.08 0.00 0.10 0.00 0.00 34.13 30.22 1ppy s GLU 113 CO 0.81 -0.40 0.99 1.41 0.02 0.00 0.00 175.26 178.10 1ppy s MET 114 N 2.41 4.75 0.00 1.61 -2.45 -1.26 -1.81 119.30 122.54 1ppy s MET 114 Ca 0.36 1.56 0.25 0.00 -1.25 0.00 0.00 55.69 56.62 1ppy s MET 114 Cb -0.16 -3.29 1.51 0.00 1.25 0.00 0.00 34.83 34.14 1ppy s MET 114 CO 0.10 0.34 1.86 1.63 1.05 0.00 0.00 175.02 180.01