#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pt0 s ILE 2 N 0.00 4.40 0.11 3.17 -1.09 -1.26 -0.85 121.20 125.68 1pt0 s ILE 2 Ca 0.00 -0.16 -0.04 0.00 -2.23 0.00 0.00 60.65 58.21 1pt0 s ILE 2 Cb 0.00 -3.00 -0.05 0.00 -1.58 0.00 0.00 42.46 37.83 1pt0 s ILE 2 CO 0.00 0.42 0.34 -0.13 -1.23 0.00 0.00 174.94 174.34 1pt0 s ARG 3 N 0.84 3.59 -0.28 2.79 1.81 -0.04 -4.91 118.95 122.76 1pt0 s ARG 3 Ca 0.03 -0.14 -0.10 0.00 -1.72 0.00 0.00 55.73 53.80 1pt0 s ARG 3 Cb -0.14 -2.91 -0.04 0.00 -0.45 0.00 0.00 34.95 31.42 1pt0 s ARG 3 CO 0.02 0.51 0.16 0.99 -0.68 0.00 0.00 175.30 176.30 1pt0 s THR 4 N -1.59 4.95 0.08 0.02 2.01 -1.26 -2.02 115.64 117.84 1pt0 s THR 4 Ca 0.38 -0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.44 1pt0 s THR 4 Cb -0.12 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1pt0 s THR 4 CO 0.24 0.24 -0.20 -0.04 -0.69 0.00 0.00 174.62 174.17 1pt0 s MET 5 N 1.70 1.13 -0.09 4.92 1.00 0.03 -4.97 119.30 123.03 1pt0 s MET 5 Ca 0.07 -1.08 -0.29 0.00 0.00 0.00 0.00 55.69 54.38 1pt0 s MET 5 Cb -0.16 -1.33 -0.06 0.00 0.00 0.00 0.00 34.83 33.28 1pt0 s MET 5 CO 0.08 0.32 1.93 -1.17 0.00 0.00 0.00 175.02 176.18 1pt0 s LEU 6 N -1.72 4.06 -0.04 -0.03 2.96 -1.26 -1.04 118.68 121.61 1pt0 s LEU 6 Ca 0.06 2.22 -0.22 0.00 -0.22 0.00 0.00 54.13 55.96 1pt0 s LEU 6 Cb -0.10 -3.53 -0.27 0.00 0.50 0.00 0.00 46.19 42.80 1pt0 s LEU 6 CO 0.03 -1.31 0.98 -0.61 -1.32 0.00 0.00 176.35 174.12 1pt0 h GLN 7 N 11.66 0.28 -1.55 1.98 -0.00 -1.02 -3.37 115.11 123.09 1pt0 h GLN 7 Ca -0.43 -0.37 0.28 0.00 -0.00 0.00 0.00 58.65 58.13 1pt0 h GLN 7 Cb 1.21 0.12 -0.14 0.00 0.00 0.00 0.00 27.48 28.67 1pt0 h GLN 7 CO 0.96 1.11 0.79 0.20 0.00 0.00 0.00 178.83 181.89 1pt0 s GLY 8 N -4.19 -0.36 0.07 2.39 0.00 -1.15 -0.69 107.32 103.38 1pt0 s GLY 8 Ca -0.14 1.01 -0.21 0.00 0.00 0.00 0.00 44.72 45.38 1pt0 s GLY 8 CO 0.80 0.28 0.50 -1.59 0.00 0.00 0.00 173.10 173.08 1pt0 s LYS 9 N -2.51 1.05 -0.35 2.90 -2.85 0.26 -1.91 119.74 116.33 1pt0 s LYS 9 Ca 0.12 -0.34 -0.11 0.00 -1.00 0.00 0.00 55.97 54.63 1pt0 s LYS 9 Cb 0.02 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 1pt0 s LYS 9 CO -0.04 -0.39 0.21 -0.51 0.10 0.00 0.00 175.35 174.72 1pt0 s LEU 10 N -2.18 4.52 -0.49 2.77 1.43 0.27 -1.29 118.68 123.72 1pt0 s LEU 10 Ca -0.03 -0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 52.19 1pt0 s LEU 10 Cb -0.00 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.21 1pt0 s LEU 10 CO -0.04 -0.29 0.61 -2.28 0.23 0.00 0.00 176.35 174.57 1pt0 s HIS 11 N 1.63 3.06 -0.83 0.29 2.46 0.01 -1.94 115.29 119.98 1pt0 s HIS 11 Ca 0.04 -0.47 -0.04 0.00 0.47 0.00 0.00 55.06 55.07 1pt0 s HIS 11 Cb -0.18 -3.45 -0.04 0.00 -0.13 0.00 0.00 32.58 28.78 1pt0 s HIS 11 CO 0.08 -0.98 0.72 0.54 -2.47 0.00 0.00 174.74 172.63 1pt0 n ARG 12 N 6.12 -2.46 -2.84 2.88 1.74 -0.99 -3.10 116.66 118.02 1pt0 n ARG 12 Ca -0.06 0.67 -0.27 0.00 -0.77 0.00 0.00 57.85 57.42 1pt0 n ARG 12 Cb 0.46 -4.90 -0.01 0.00 -1.02 0.00 0.00 32.46 26.99 1pt0 n ARG 12 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1pt0 s VAL 13 N -3.30 4.94 -0.00 1.55 -7.23 -0.75 -4.59 120.40 111.03 1pt0 s VAL 13 Ca 0.28 0.11 -0.06 0.00 -1.81 0.00 0.00 61.98 60.50 1pt0 s VAL 13 Cb -0.04 -3.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.01 1pt0 s VAL 13 CO 0.57 -0.73 0.25 -1.59 -0.31 0.00 0.00 175.10 173.29 1pt0 s LYS 14 N -4.50 3.56 0.20 4.82 0.00 -1.26 -0.71 119.74 121.85 1pt0 s LYS 14 Ca 0.46 -0.10 -0.30 0.00 0.00 0.00 0.00 55.97 56.03 1pt0 s LYS 14 Cb -0.10 -3.09 -0.09 0.00 0.00 0.00 0.00 37.83 34.55 1pt0 s LYS 14 CO 0.41 0.66 1.30 0.08 0.00 0.00 0.00 175.35 177.80 1pt0 s VAL 15 N -1.28 3.23 -0.03 1.79 1.01 -0.06 -4.35 120.40 120.71 1pt0 s VAL 15 Ca 0.26 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.29 1pt0 s VAL 15 Cb -0.13 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1pt0 s VAL 15 CO 0.15 0.15 0.01 1.07 0.00 0.00 0.00 175.10 176.49 1pt0 n THR 16 N 2.58 0.21 -3.83 3.92 5.66 0.91 -0.69 114.28 123.05 1pt0 n THR 16 Ca 0.06 -0.13 -0.14 0.00 -3.05 0.00 0.00 64.05 60.79 1pt0 n THR 16 Cb 0.43 -0.91 -0.15 0.00 -1.55 0.00 0.00 70.33 68.14 1pt0 n THR 16 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1pt0 s HIS 17 N -2.07 0.04 -0.47 1.09 3.76 -1.09 -4.89 115.29 111.64 1pt0 s HIS 17 Ca -0.02 0.06 0.06 0.00 -0.15 0.00 0.00 55.06 55.01 1pt0 s HIS 17 Cb 0.01 -0.14 0.28 0.00 1.11 0.00 0.00 32.58 33.85 1pt0 s HIS 17 CO 0.13 -0.05 1.02 0.00 -0.85 0.00 0.00 174.74 174.99 1pt0 n ALA 18 N 3.65 -1.12 -2.57 -1.40 0.00 -1.26 -1.07 120.51 116.74 1pt0 n ALA 18 Ca -0.20 -1.41 -0.41 0.00 0.00 0.00 0.00 53.44 51.41 1pt0 n ALA 18 Cb 0.55 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.61 1pt0 n ALA 18 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1pt0 s ASP 19 N -1.43 5.99 0.00 0.00 3.84 -1.26 -4.80 116.67 119.01 1pt0 s ASP 19 Ca 0.26 -0.73 0.10 0.00 -0.00 0.00 0.00 52.55 52.19 1pt0 s ASP 19 Cb 0.26 -2.12 0.62 0.00 -1.38 0.00 0.00 42.92 40.30 1pt0 s ASP 19 CO -0.14 -0.35 1.06 0.18 -0.00 0.00 0.00 175.17 175.92 1pt0 n LEU 20 N 5.10 0.00 -2.30 2.11 4.77 -1.26 -2.57 117.00 122.85 1pt0 n LEU 20 Ca -0.12 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.55 1pt0 n LEU 20 Cb 0.48 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 1pt0 n LEU 20 CO 0.38 0.00 0.90 0.00 -1.33 0.00 0.00 177.39 177.35 1pt0 n HIS 21 N -0.98 3.05 0.26 -1.77 1.44 -1.26 -4.40 115.22 111.56 1pt0 n HIS 21 Ca 0.08 -2.68 0.06 0.00 -2.01 0.00 0.00 57.72 53.17 1pt0 n HIS 21 Cb 0.04 -0.91 -0.08 0.00 0.12 0.00 0.00 29.99 29.16 1pt0 n HIS 21 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1pt0 n TYR 22 N -0.76 0.00 0.00 -1.40 0.53 -1.09 -4.99 117.16 109.44 1pt0 n TYR 22 Ca 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.41 1pt0 n TYR 22 Cb 0.72 -0.14 0.00 0.00 -1.03 0.00 0.00 39.34 38.89 1pt0 n TYR 22 CO 0.00 0.00 0.00 -0.85 -1.02 0.00 0.00 176.86 174.99 1pt0 n GLU 23 N -1.60 0.00 0.00 -0.72 -0.00 -1.26 -4.78 120.64 112.28 1pt0 n GLU 23 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1pt0 n GLU 23 Cb 0.24 -0.09 0.00 0.00 -0.00 0.00 0.00 31.44 31.59 1pt0 n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pt0 n GLY 24 N -0.56 -2.33 0.00 -1.84 0.00 -1.26 -4.68 105.19 94.53 1pt0 n GLY 24 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1pt0 n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pt0 n SER 25 N -2.29 0.00 -4.90 1.61 2.88 -1.26 -0.39 113.62 109.26 1pt0 n SER 25 Ca 0.00 -0.99 -0.29 0.00 -1.33 0.00 0.00 58.87 56.26 1pt0 n SER 25 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 1pt0 n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pt0 s ALA 26 N 0.00 2.77 -0.22 -1.46 0.00 -1.26 -4.55 121.76 117.04 1pt0 s ALA 26 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 1pt0 s ALA 26 Cb 0.00 -2.90 -0.00 0.00 0.00 0.00 0.00 23.12 20.22 1pt0 s ALA 26 CO 0.00 -1.55 -0.05 0.00 0.00 0.00 0.00 175.76 174.16 1pt0 s ALA 28 N 1.46 3.49 -0.06 0.00 0.00 -0.44 -1.10 121.76 125.10 1pt0 s ALA 28 Ca 0.05 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1pt0 s ALA 28 Cb -0.14 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.33 1pt0 s ALA 28 CO -0.04 -0.07 -0.05 0.42 0.00 0.00 0.00 175.76 176.02 1pt0 s ILE 29 N 0.79 0.65 -0.36 0.00 1.01 0.13 -1.01 121.20 122.42 1pt0 s ILE 29 Ca 0.25 -0.16 -0.34 0.00 0.00 0.00 0.00 60.65 60.41 1pt0 s ILE 29 Cb -0.15 -0.68 -0.15 0.00 0.01 0.00 0.00 42.46 41.49 1pt0 s ILE 29 CO 0.10 0.27 1.16 -0.67 0.00 0.00 0.00 174.94 175.79 1pt0 n ASP 30 N 4.28 0.86 -0.23 3.58 -0.08 -0.82 -0.38 116.55 123.75 1pt0 n ASP 30 Ca -0.20 0.87 0.21 0.00 -1.51 0.00 0.00 54.79 54.16 1pt0 n ASP 30 Cb 0.51 -0.64 0.56 0.00 2.34 0.00 0.00 41.12 43.88 1pt0 n ASP 30 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1pt0 h GLN 31 N 3.61 0.31 -0.90 -0.67 5.75 -1.48 0.43 115.11 122.16 1pt0 h GLN 31 Ca -0.32 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.18 1pt0 h GLN 31 Cb 1.00 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.43 1pt0 h GLN 31 CO 0.71 0.20 0.59 -0.44 -2.65 0.00 0.00 178.83 177.24 1pt0 h ASP 32 N 0.32 1.00 -0.17 -0.69 3.32 -1.87 0.39 116.42 118.71 1pt0 h ASP 32 Ca 0.47 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.44 1pt0 h ASP 32 Cb 1.31 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1pt0 h ASP 32 CO -0.15 0.70 -0.13 -0.26 -1.72 0.00 0.00 179.24 177.68 1pt0 h PHE 33 N 1.17 0.45 -0.64 4.55 0.04 -1.28 -2.30 116.94 118.93 1pt0 h PHE 33 Ca 0.34 -0.13 0.07 0.00 2.80 0.00 0.00 57.97 61.06 1pt0 h PHE 33 Cb -0.05 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 37.94 1pt0 h PHE 33 CO -0.00 0.74 0.33 -0.07 -0.60 0.00 0.00 178.31 178.70 1pt0 h LEU 34 N 0.04 0.45 -0.53 1.54 3.38 -1.06 -1.92 115.31 117.20 1pt0 h LEU 34 Ca 0.03 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1pt0 h LEU 34 Cb 0.65 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1pt0 h LEU 34 CO 0.03 0.28 0.32 0.44 0.09 0.00 0.00 178.44 179.60 1pt0 h ASP 35 N 0.59 0.52 -0.35 -0.43 3.32 -0.87 -0.42 116.42 118.78 1pt0 h ASP 35 Ca 0.30 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.26 1pt0 h ASP 35 Cb 0.25 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1pt0 h ASP 35 CO -0.22 0.36 -0.12 0.00 -1.72 0.00 0.00 179.24 177.54 1pt0 h ALA 36 N 1.24 0.97 -0.01 3.45 0.00 -1.06 -3.11 119.26 120.73 1pt0 h ALA 36 Ca 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1pt0 h ALA 36 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1pt0 h ALA 36 CO -0.10 0.61 -0.18 0.00 0.00 0.00 0.00 179.25 179.59 1pt0 n ALA 37 N -2.49 2.91 -1.26 0.00 0.00 -0.75 -4.44 120.51 114.48 1pt0 n ALA 37 Ca 0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 53.44 52.88 1pt0 n ALA 37 Cb 0.37 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 1pt0 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pt0 n GLY 38 N 1.30 1.03 3.76 0.00 0.00 -0.24 -4.17 105.19 106.86 1pt0 n GLY 38 Ca 0.14 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1pt0 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pt0 s ILE 39 N -2.17 4.59 0.07 -0.61 1.01 -0.74 -4.98 121.20 118.36 1pt0 s ILE 39 Ca 0.00 1.62 0.01 0.00 0.00 0.00 0.00 60.65 62.28 1pt0 s ILE 39 Cb 0.00 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1pt0 s ILE 39 CO 0.00 0.44 0.17 -0.76 0.00 0.00 0.00 174.94 174.79 1pt0 s LEU 40 N -0.58 4.18 0.05 2.97 1.43 -1.26 -4.55 118.68 120.92 1pt0 s LEU 40 Ca 0.36 0.18 -0.37 0.00 -1.03 0.00 0.00 54.13 53.28 1pt0 s LEU 40 Cb -0.21 -2.81 -0.17 0.00 0.03 0.00 0.00 46.19 43.03 1pt0 s LEU 40 CO 0.24 0.17 1.38 1.21 0.23 0.00 0.00 176.35 179.58 1pt0 n GLU 41 N 0.34 1.14 -1.00 1.70 4.07 -1.26 -1.67 120.64 123.96 1pt0 n GLU 41 Ca -0.06 0.41 -0.00 0.00 -0.06 0.00 0.00 57.16 57.45 1pt0 n GLU 41 Cb 0.51 -2.06 -0.00 0.00 -0.06 0.00 0.00 31.44 29.83 1pt0 n GLU 41 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1pt0 n ASN 42 N 2.82 -3.82 -4.77 4.31 3.02 0.11 -4.99 115.26 111.95 1pt0 n ASN 42 Ca 0.19 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.35 1pt0 n ASN 42 Cb 0.18 -1.33 -0.06 0.00 -0.61 0.00 0.00 39.78 37.96 1pt0 n ASN 42 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1pt0 s GLU 43 N -0.59 4.66 0.31 3.52 2.12 -0.67 -4.76 118.70 123.29 1pt0 s GLU 43 Ca 0.00 1.26 -0.29 0.00 0.36 0.00 0.00 54.97 56.30 1pt0 s GLU 43 Cb 0.00 -3.27 -0.12 0.00 0.26 0.00 0.00 34.13 31.01 1pt0 s GLU 43 CO 0.00 0.56 1.55 0.00 -0.54 0.00 0.00 175.26 176.83 1pt0 n ALA 44 N 1.55 2.42 -2.57 6.30 0.00 -1.26 -1.18 120.51 125.78 1pt0 n ALA 44 Ca -0.05 0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.62 1pt0 n ALA 44 Cb 0.48 -2.44 -0.11 0.00 0.00 0.00 0.00 19.45 17.38 1pt0 n ALA 44 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1pt0 s ILE 45 N -0.32 0.80 -0.10 0.00 -4.36 -0.18 -4.59 121.20 112.45 1pt0 s ILE 45 Ca 0.61 -1.48 -0.03 0.00 -0.26 0.00 0.00 60.65 59.49 1pt0 s ILE 45 Cb -0.50 -1.15 -0.03 0.00 1.25 0.00 0.00 42.46 42.02 1pt0 s ILE 45 CO 0.53 -0.52 0.03 -1.81 0.24 0.00 0.00 174.94 173.41 1pt0 s ASP 46 N -2.20 5.44 -0.13 4.36 1.01 0.39 -1.50 116.67 124.04 1pt0 s ASP 46 Ca 0.01 0.19 0.02 0.00 0.71 0.00 0.00 52.55 53.48 1pt0 s ASP 46 Cb -0.04 -1.60 0.01 0.00 1.01 0.00 0.00 42.92 42.30 1pt0 s ASP 46 CO -0.00 0.37 -0.19 -0.63 0.21 0.00 0.00 175.17 174.93 1pt0 s ILE 47 N -0.84 1.80 -0.21 0.77 1.01 0.10 -0.97 121.20 122.86 1pt0 s ILE 47 Ca 0.13 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 1pt0 s ILE 47 Cb -0.12 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.76 1pt0 s ILE 47 CO 0.03 0.50 -0.13 0.26 0.00 0.00 0.00 174.94 175.60 1pt0 s TRP 48 N 0.91 2.94 -0.42 3.97 0.51 -0.24 -1.11 118.94 125.50 1pt0 s TRP 48 Ca -0.07 -1.58 -0.22 0.00 -2.12 0.00 0.00 56.10 52.12 1pt0 s TRP 48 Cb -0.15 -1.99 0.02 0.00 -0.81 0.00 0.00 33.47 30.54 1pt0 s TRP 48 CO -0.02 -0.75 0.71 1.21 -0.51 0.00 0.00 176.95 177.58 1pt0 s ASN 49 N 1.31 6.39 0.27 2.95 3.84 0.07 -0.78 114.94 128.99 1pt0 s ASN 49 Ca 0.02 -0.12 0.11 0.00 0.21 0.00 0.00 52.86 53.09 1pt0 s ASN 49 Cb -0.15 -2.35 0.34 0.00 -0.55 0.00 0.00 41.25 38.54 1pt0 s ASN 49 CO -0.08 -0.80 1.60 0.58 -2.79 0.00 0.00 177.10 175.61 1pt0 h VAL 50 N 5.87 1.41 -0.03 -5.21 2.07 -1.15 0.33 116.25 119.55 1pt0 h VAL 50 Ca -0.25 -2.17 -0.07 0.00 0.82 0.00 0.00 66.70 65.03 1pt0 h VAL 50 Cb 1.09 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1pt0 h VAL 50 CO 0.91 0.61 -0.25 0.74 0.02 0.00 0.00 177.57 179.61 1pt0 h THR 51 N 0.00 1.48 -0.00 2.57 2.02 -1.91 -3.39 112.91 113.67 1pt0 h THR 51 Ca -0.01 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1pt0 h THR 51 Cb 1.13 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 1pt0 h THR 51 CO 0.08 0.49 -0.04 -0.46 0.37 0.00 0.00 175.52 175.96 1pt0 n ASN 52 N -4.51 1.04 0.00 4.18 0.23 -1.22 -5.02 115.26 109.96 1pt0 n ASN 52 Ca -0.09 -1.02 0.00 0.00 -0.53 0.00 0.00 54.58 52.94 1pt0 n ASN 52 Cb 0.47 0.26 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 1pt0 n ASN 52 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pt0 n GLY 53 N 0.45 1.82 3.77 4.83 0.00 0.12 -5.01 105.19 111.16 1pt0 n GLY 53 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1pt0 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pt0 s LYS 54 N -0.04 3.94 -0.06 1.61 1.02 -1.25 -4.72 119.74 120.24 1pt0 s LYS 54 Ca 0.00 2.26 0.02 0.00 0.02 0.00 0.00 55.97 58.27 1pt0 s LYS 54 Cb 0.00 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 1pt0 s LYS 54 CO 0.00 -0.55 -0.10 1.03 -0.92 0.00 0.00 175.35 174.81 1pt0 s ARG 55 N -2.24 1.42 0.26 1.68 0.52 -1.26 -0.75 118.95 118.58 1pt0 s ARG 55 Ca 0.57 -0.31 -0.15 0.00 -0.52 0.00 0.00 55.73 55.32 1pt0 s ARG 55 Cb -0.40 -1.22 0.00 0.00 0.52 0.00 0.00 34.95 33.85 1pt0 s ARG 55 CO 0.52 -0.01 0.54 -0.59 0.02 0.00 0.00 175.30 175.78 1pt0 s PHE 56 N 0.74 0.24 -0.02 -0.53 -0.71 -0.27 -5.01 117.98 112.43 1pt0 s PHE 56 Ca -0.13 -0.63 0.04 0.00 -1.04 0.00 0.00 56.93 55.16 1pt0 s PHE 56 Cb -0.15 0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 41.97 1pt0 s PHE 56 CO 0.03 -1.07 -0.13 -1.12 -1.34 0.00 0.00 175.22 171.59 1pt0 s SER 57 N -3.00 1.61 0.00 1.98 0.01 -1.26 0.02 113.70 113.06 1pt0 s SER 57 Ca 0.20 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1pt0 s SER 57 Cb -0.02 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1pt0 s SER 57 CO 0.09 0.15 0.00 1.07 0.41 0.00 0.00 173.24 174.96 1pt0 n THR 58 N 2.86 0.00 -4.25 1.44 5.66 -0.56 -5.00 114.28 114.43 1pt0 n THR 58 Ca -0.15 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.71 1pt0 n THR 58 Cb 0.55 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.23 1pt0 n THR 58 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1pt0 s TYR 59 N -0.14 1.26 0.05 1.09 1.13 -1.26 -1.01 117.35 118.47 1pt0 s TYR 59 Ca 0.00 -0.88 -0.15 0.00 -1.41 0.00 0.00 57.07 54.63 1pt0 s TYR 59 Cb 0.00 -0.69 -0.06 0.00 -1.10 0.00 0.00 41.96 40.11 1pt0 s TYR 59 CO 0.00 -0.05 0.47 0.00 -2.51 0.00 0.00 175.55 173.47 1pt0 s ALA 60 N -3.47 3.65 0.19 9.51 0.00 -0.33 -1.61 121.76 129.71 1pt0 s ALA 60 Ca 0.20 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.04 1pt0 s ALA 60 Cb 0.04 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 1pt0 s ALA 60 CO 0.02 0.47 -0.08 0.96 0.00 0.00 0.00 175.76 177.14 1pt0 s ILE 61 N -1.20 1.23 0.24 0.00 -4.36 -0.26 0.08 121.20 116.92 1pt0 s ILE 61 Ca 0.29 -2.08 -0.30 0.00 -0.26 0.00 0.00 60.65 58.30 1pt0 s ILE 61 Cb -0.17 -2.05 -0.09 0.00 1.25 0.00 0.00 42.46 41.40 1pt0 s ILE 61 CO 0.16 -0.58 0.99 0.00 0.24 0.00 0.00 174.94 175.76 1pt0 s ALA 62 N -3.29 3.35 0.34 2.27 0.00 -1.26 -0.69 121.76 122.47 1pt0 s ALA 62 Ca 0.22 0.71 0.07 0.00 0.00 0.00 0.00 51.96 52.96 1pt0 s ALA 62 Cb 0.03 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1pt0 s ALA 62 CO 0.04 0.07 0.29 0.00 0.00 0.00 0.00 175.76 176.17 1pt0 s ALA 63 N -1.05 3.84 0.20 0.00 0.00 0.49 -4.57 121.76 120.67 1pt0 s ALA 63 Ca 0.43 -1.66 -0.30 0.00 0.00 0.00 0.00 51.96 50.42 1pt0 s ALA 63 Cb -0.28 -1.16 -0.16 0.00 0.00 0.00 0.00 23.12 21.52 1pt0 s ALA 63 CO 0.35 -0.00 0.88 -1.91 0.00 0.00 0.00 175.76 175.08 1pt0 n GLU 64 N -1.38 0.71 -2.09 0.00 2.13 -1.26 -1.79 120.64 116.96 1pt0 n GLU 64 Ca -0.02 0.25 -0.42 0.00 0.66 0.00 0.00 57.16 57.64 1pt0 n GLU 64 Cb 0.60 -1.54 -0.03 0.00 0.27 0.00 0.00 31.44 30.74 1pt0 n GLU 64 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1pt0 s ARG 65 N -0.91 4.31 0.00 5.31 3.52 -1.26 -2.90 118.95 127.02 1pt0 s ARG 65 Ca 0.67 2.19 0.00 0.00 -0.13 0.00 0.00 55.73 58.46 1pt0 s ARG 65 Cb -0.87 -3.17 0.00 0.00 -1.56 0.00 0.00 34.95 29.35 1pt0 s ARG 65 CO 0.56 -0.40 0.00 0.41 -0.81 0.00 0.00 175.30 175.07 1pt0 n GLY 66 N 2.68 2.64 0.20 8.12 0.00 -1.26 -4.93 105.19 112.64 1pt0 n GLY 66 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1pt0 n GLY 66 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pt0 h SER 67 N 0.00 0.00 -0.60 1.61 4.64 -1.90 -3.47 113.55 113.83 1pt0 h SER 67 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1pt0 h SER 67 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1pt0 h SER 67 CO 0.00 0.30 -0.23 0.54 -0.87 0.00 0.00 176.83 176.57 1pt0 n ARG 68 N -3.46 -0.97 -2.73 4.77 1.74 -1.26 -4.95 116.66 109.80 1pt0 n ARG 68 Ca 0.00 0.93 -0.40 0.00 -0.77 0.00 0.00 57.85 57.61 1pt0 n ARG 68 Cb 0.47 -5.00 -0.05 0.00 -1.02 0.00 0.00 32.46 26.86 1pt0 n ARG 68 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pt0 s ILE 69 N -2.43 4.23 -0.25 0.55 1.01 -1.26 -4.87 121.20 118.18 1pt0 s ILE 69 Ca 0.00 2.07 0.00 0.00 0.00 0.00 0.00 60.65 62.72 1pt0 s ILE 69 Cb 0.00 -4.32 0.07 0.00 0.01 0.00 0.00 42.46 38.22 1pt0 s ILE 69 CO 0.00 0.42 -0.01 -0.63 0.00 0.00 0.00 174.94 174.72 1pt0 s ILE 70 N -0.70 1.34 -0.19 2.92 -1.09 -1.26 -1.95 121.20 120.27 1pt0 s ILE 70 Ca 0.44 -1.24 -0.00 0.00 -2.23 0.00 0.00 60.65 57.61 1pt0 s ILE 70 Cb -0.25 -1.74 0.01 0.00 -1.58 0.00 0.00 42.46 38.91 1pt0 s ILE 70 CO 0.31 -0.24 -0.15 -0.55 -1.23 0.00 0.00 174.94 173.08 1pt0 s SER 71 N 1.46 3.52 -0.28 3.58 0.15 -0.18 -0.06 113.70 121.88 1pt0 s SER 71 Ca -0.01 -0.59 0.11 0.00 0.70 0.00 0.00 55.95 56.16 1pt0 s SER 71 Cb -0.18 -1.56 0.58 0.00 -1.71 0.00 0.00 66.02 63.15 1pt0 s SER 71 CO -0.09 -0.01 1.58 1.33 1.20 0.00 0.00 173.24 177.24 1pt0 n VAL 72 N 4.67 2.63 -1.67 4.45 0.24 -0.23 -1.33 118.33 127.09 1pt0 n VAL 72 Ca -0.20 -2.17 -0.58 0.00 -2.04 0.00 0.00 64.34 59.35 1pt0 n VAL 72 Cb 0.50 -0.33 -0.07 0.00 -1.47 0.00 0.00 33.84 32.47 1pt0 n VAL 72 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1pt0 n ASN 73 N -0.75 1.80 0.00 -1.34 3.02 -1.20 -2.85 115.26 113.93 1pt0 n ASN 73 Ca 0.35 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 56.01 1pt0 n ASN 73 Cb 1.14 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1pt0 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pt0 n GLY 74 N 3.49 0.25 0.17 7.41 0.00 -1.06 -4.54 105.19 110.91 1pt0 n GLY 74 Ca 0.25 -2.16 0.02 0.00 0.00 0.00 0.00 46.02 44.13 1pt0 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pt0 h ALA 75 N 0.00 1.24 0.00 4.61 0.00 -0.95 -2.56 119.26 121.61 1pt0 h ALA 75 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1pt0 h ALA 75 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1pt0 h ALA 75 CO 0.00 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1pt0 n ALA 76 N -2.44 2.01 0.25 0.00 0.00 -1.26 -3.06 120.51 116.01 1pt0 n ALA 76 Ca -0.02 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.44 1pt0 n ALA 76 Cb 0.47 -1.33 0.47 0.00 0.00 0.00 0.00 19.45 19.06 1pt0 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pt0 n ALA 77 N -1.39 1.30 0.48 0.00 0.00 -0.96 -1.47 120.51 118.47 1pt0 n ALA 77 Ca 0.07 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.74 1pt0 n ALA 77 Cb 0.20 -1.30 0.44 0.00 0.00 0.00 0.00 19.45 18.79 1pt0 n ALA 77 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1pt0 n HIS 78 N -2.12 0.57 0.25 0.00 8.25 -1.17 -3.77 115.22 117.23 1pt0 n HIS 78 Ca 0.00 0.21 0.04 0.00 -0.26 0.00 0.00 57.72 57.71 1pt0 n HIS 78 Cb 0.11 -0.85 -0.05 0.00 1.12 0.00 0.00 29.99 30.33 1pt0 n HIS 78 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pt0 s ALA 80 N -1.95 -0.92 0.30 0.00 0.00 -1.21 -4.82 121.76 113.15 1pt0 s ALA 80 Ca 0.01 0.54 0.10 0.00 0.00 0.00 0.00 51.96 52.61 1pt0 s ALA 80 Cb 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 1pt0 s ALA 80 CO 0.31 -0.26 -0.01 -1.12 0.00 0.00 0.00 175.76 174.68 1pt0 s SER 81 N -1.09 4.32 0.32 0.00 0.01 -1.26 -4.65 113.70 111.34 1pt0 s SER 81 Ca -0.11 -0.82 -0.29 0.00 1.31 0.00 0.00 55.95 56.03 1pt0 s SER 81 Cb -0.04 -0.66 -0.10 0.00 0.21 0.00 0.00 66.02 65.43 1pt0 s SER 81 CO 0.04 -0.11 1.30 0.54 0.41 0.00 0.00 173.24 175.43 1pt0 s VAL 82 N -2.42 2.79 0.00 3.43 0.11 -1.26 -1.80 120.40 121.24 1pt0 s VAL 82 Ca 0.33 0.78 0.00 0.00 -2.93 0.00 0.00 61.98 60.16 1pt0 s VAL 82 Cb -0.04 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.32 1pt0 s VAL 82 CO 0.19 0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.75 1pt0 n GLY 83 N 1.00 3.37 3.78 6.54 0.00 0.14 -5.00 105.19 115.01 1pt0 n GLY 83 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1pt0 n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pt0 s ASP 84 N -0.96 6.45 -0.07 1.61 1.11 -0.75 -4.75 116.67 119.33 1pt0 s ASP 84 Ca 0.00 2.96 -0.20 0.00 0.18 0.00 0.00 52.55 55.49 1pt0 s ASP 84 Cb 0.00 -2.66 -0.04 0.00 1.07 0.00 0.00 42.92 41.28 1pt0 s ASP 84 CO 0.00 -0.79 0.57 -0.63 1.18 0.00 0.00 175.17 175.50 1pt0 s ILE 85 N -1.09 5.07 0.14 0.77 1.01 -1.26 -0.88 121.20 124.95 1pt0 s ILE 85 Ca 0.52 1.16 0.03 0.00 0.00 0.00 0.00 60.65 62.36 1pt0 s ILE 85 Cb -0.45 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 1pt0 s ILE 85 CO 0.60 0.34 -0.07 0.68 0.00 0.00 0.00 174.94 176.49 1pt0 s VAL 86 N 0.38 0.97 -0.12 2.92 -7.23 0.11 -0.57 120.40 116.86 1pt0 s VAL 86 Ca 0.30 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1pt0 s VAL 86 Cb -0.17 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 1pt0 s VAL 86 CO 0.14 -0.73 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.43 1pt0 s ILE 87 N -3.45 2.97 -0.15 -0.62 1.01 0.04 -1.80 121.20 119.18 1pt0 s ILE 87 Ca 0.17 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1pt0 s ILE 87 Cb 0.04 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1pt0 s ILE 87 CO -0.00 0.54 -0.17 -0.63 0.00 0.00 0.00 174.94 174.68 1pt0 s ILE 88 N 0.19 2.50 0.06 2.92 1.01 -0.82 -1.08 121.20 125.99 1pt0 s ILE 88 Ca -0.08 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.79 1pt0 s ILE 88 Cb -0.15 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1pt0 s ILE 88 CO 0.05 0.52 -0.13 0.00 0.00 0.00 0.00 174.94 175.38 1pt0 s ALA 89 N 0.87 1.07 0.21 9.38 0.00 -0.14 -0.56 121.76 132.58 1pt0 s ALA 89 Ca -0.05 -0.94 0.09 0.00 0.00 0.00 0.00 51.96 51.07 1pt0 s ALA 89 Cb -0.15 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1pt0 s ALA 89 CO -0.02 0.14 -0.18 -1.54 0.00 0.00 0.00 175.76 174.17 1pt0 s SER 90 N -1.64 2.91 0.02 0.00 1.04 -0.80 -0.46 113.70 114.77 1pt0 s SER 90 Ca -0.03 -0.96 0.05 0.00 0.48 0.00 0.00 55.95 55.49 1pt0 s SER 90 Cb -0.10 -0.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1pt0 s SER 90 CO 0.02 -0.06 -0.16 -0.36 0.98 0.00 0.00 173.24 173.66 1pt0 s PHE 91 N -2.50 1.41 0.21 5.02 0.40 -1.26 -0.38 117.98 120.88 1pt0 s PHE 91 Ca 0.22 -0.33 0.07 0.00 -0.60 0.00 0.00 56.93 56.29 1pt0 s PHE 91 Cb -0.04 -0.86 -0.05 0.00 0.51 0.00 0.00 43.02 42.59 1pt0 s PHE 91 CO 0.09 0.03 -0.12 0.14 0.70 0.00 0.00 175.22 176.06 1pt0 s VAL 92 N -0.68 1.62 0.10 -0.44 -7.23 -0.21 -4.80 120.40 108.75 1pt0 s VAL 92 Ca 0.04 -2.17 0.06 0.00 -1.81 0.00 0.00 61.98 58.10 1pt0 s VAL 92 Cb -0.07 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 1pt0 s VAL 92 CO 0.01 -0.55 -0.05 0.42 -0.31 0.00 0.00 175.10 174.62 1pt0 s THR 93 N -3.04 3.71 0.10 5.32 -4.23 -1.26 -0.79 115.64 115.44 1pt0 s THR 93 Ca 0.23 -1.12 -0.25 0.00 -1.18 0.00 0.00 61.69 59.37 1pt0 s THR 93 Cb 0.01 -2.75 0.08 0.00 1.34 0.00 0.00 72.50 71.18 1pt0 s THR 93 CO 0.07 0.12 0.77 0.00 -0.54 0.00 0.00 174.62 175.04 1pt0 s MET 94 N -2.25 1.12 0.63 3.99 0.23 -0.86 -4.98 119.30 117.19 1pt0 s MET 94 Ca 0.24 -0.47 -0.18 0.00 -1.03 0.00 0.00 55.69 54.25 1pt0 s MET 94 Cb -0.11 0.48 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 1pt0 s MET 94 CO 0.16 -0.50 1.02 -2.30 -2.03 0.00 0.00 175.02 171.37 1pt0 n PRO 95 N -0.34 0.86 -0.24 3.16 -0.02 -1.26 -0.86 135.00 136.29 1pt0 n PRO 95 Ca -0.11 0.34 0.04 0.00 -2.02 0.00 0.00 63.50 61.75 1pt0 n PRO 95 Cb 0.63 -2.24 0.15 0.00 -0.02 0.00 0.00 33.50 32.02 1pt0 n PRO 95 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1pt0 h ASP 96 N 0.34 -0.22 -0.99 2.55 3.58 -1.35 -1.12 116.42 119.20 1pt0 h ASP 96 Ca -0.49 0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.16 1pt0 h ASP 96 Cb 1.36 0.28 -0.05 0.00 1.72 0.00 0.00 39.33 42.64 1pt0 h ASP 96 CO 0.50 -0.13 0.65 -0.08 -2.88 0.00 0.00 179.24 177.31 1pt0 h GLU 97 N 0.15 1.26 -0.14 0.28 4.22 -1.90 -2.15 114.58 116.30 1pt0 h GLU 97 Ca 0.39 -0.08 -0.20 0.00 0.08 0.00 0.00 59.36 59.55 1pt0 h GLU 97 Cb 0.68 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1pt0 h GLU 97 CO -0.59 0.84 -0.73 0.93 -2.18 0.00 0.00 179.01 177.28 1pt0 h GLU 98 N 1.30 0.67 -0.05 1.92 3.07 -1.74 -3.24 114.58 116.52 1pt0 h GLU 98 Ca 0.38 -0.53 -0.00 0.00 -0.50 0.00 0.00 59.36 58.71 1pt0 h GLU 98 Cb -0.08 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1pt0 h GLU 98 CO -0.10 1.14 0.03 0.00 -1.40 0.00 0.00 179.01 178.68 1pt0 h ALA 99 N 0.71 1.96 0.00 3.43 0.00 -0.62 -2.52 119.26 122.22 1pt0 h ALA 99 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pt0 h ALA 99 Cb 1.34 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1pt0 h ALA 99 CO 0.14 0.04 -0.02 0.00 0.00 0.00 0.00 179.25 179.41 1pt0 h ARG 100 N 0.07 0.00 0.00 0.00 3.08 -1.44 -2.82 114.38 113.27 1pt0 h ARG 100 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1pt0 h ARG 100 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1pt0 h ARG 100 CO -0.00 0.02 0.00 0.25 -1.07 0.00 0.00 179.97 179.17 1pt0 n THR 101 N -3.32 0.37 -1.66 2.04 -2.24 -0.98 -5.07 114.28 103.43 1pt0 n THR 101 Ca -0.02 -0.65 -0.43 0.00 -2.27 0.00 0.00 64.05 60.68 1pt0 n THR 101 Cb 0.15 0.85 -0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1pt0 n THR 101 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1pt0 n TRP 102 N -0.19 1.85 -3.96 4.78 -0.00 -1.02 -5.01 117.44 113.90 1pt0 n TRP 102 Ca 0.00 0.58 -0.29 0.00 -0.00 0.00 0.00 57.50 57.79 1pt0 n TRP 102 Cb 0.12 -2.34 -0.16 0.00 -0.00 0.00 0.00 31.31 28.92 1pt0 n TRP 102 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 1pt0 s ARG 103 N -1.87 1.82 0.69 5.87 3.52 -1.26 -5.07 118.95 122.65 1pt0 s ARG 103 Ca 0.58 -0.67 -0.14 0.00 -0.13 0.00 0.00 55.73 55.37 1pt0 s ARG 103 Cb -0.59 -2.20 0.02 0.00 -1.56 0.00 0.00 34.95 30.62 1pt0 s ARG 103 CO 0.60 -0.40 1.12 -1.25 -0.81 0.00 0.00 175.30 174.57 1pt0 s PRO 104 N 1.51 2.58 -0.38 5.12 0.04 -1.26 -5.00 135.00 137.61 1pt0 s PRO 104 Ca 0.00 1.43 -0.18 0.00 0.04 0.00 0.00 61.00 62.30 1pt0 s PRO 104 Cb -0.15 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1pt0 s PRO 104 CO -0.08 -1.43 0.48 -0.80 0.04 0.00 0.00 177.00 175.21 1pt0 s ASN 105 N -2.58 6.26 -0.11 6.66 0.01 0.13 -4.91 114.94 120.39 1pt0 s ASN 105 Ca 0.67 -0.27 0.03 0.00 -0.71 0.00 0.00 52.86 52.58 1pt0 s ASN 105 Cb -0.22 -2.25 -0.00 0.00 0.41 0.00 0.00 41.25 39.19 1pt0 s ASN 105 CO 0.44 -0.51 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.62 1pt0 s VAL 106 N 2.30 2.29 -0.14 1.60 1.01 -1.26 -0.58 120.40 125.62 1pt0 s VAL 106 Ca 0.16 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1pt0 s VAL 106 Cb -0.16 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1pt0 s VAL 106 CO 0.14 0.55 -0.09 0.00 0.00 0.00 0.00 175.10 175.69 1pt0 s ALA 107 N 0.43 2.76 0.00 5.51 0.00 -0.41 -4.93 121.76 125.12 1pt0 s ALA 107 Ca -0.15 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 1pt0 s ALA 107 Cb -0.17 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 1pt0 s ALA 107 CO 0.07 0.21 0.11 0.71 0.00 0.00 0.00 175.76 176.85 1pt0 s TYR 108 N 0.40 3.35 0.08 0.00 2.02 -1.26 -0.81 117.35 121.14 1pt0 s TYR 108 Ca -0.08 0.24 0.06 0.00 -0.37 0.00 0.00 57.07 56.92 1pt0 s TYR 108 Cb -0.15 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 1pt0 s TYR 108 CO 0.04 0.58 -0.17 -0.06 -1.57 0.00 0.00 175.55 174.37 1pt0 s PHE 109 N -1.26 1.45 0.13 2.71 0.40 -1.18 -1.66 117.98 118.58 1pt0 s PHE 109 Ca 0.25 -0.43 0.07 0.00 -0.60 0.00 0.00 56.93 56.21 1pt0 s PHE 109 Cb -0.12 -0.81 -0.04 0.00 0.51 0.00 0.00 43.02 42.56 1pt0 s PHE 109 CO 0.16 0.11 -0.16 -1.83 0.70 0.00 0.00 175.22 174.20 1pt0 s GLU 110 N -1.75 1.12 7.75 0.44 1.03 -0.45 -4.93 118.70 121.91 1pt0 s GLU 110 Ca 0.02 -1.29 0.00 0.00 0.03 0.00 0.00 54.97 53.73 1pt0 s GLU 110 Cb -0.10 -1.10 0.00 0.00 -0.80 0.00 0.00 34.13 32.13 1pt0 s GLU 110 CO 0.03 0.22 0.00 0.41 -1.33 0.00 0.00 175.26 174.59 1pt0 n GLY 111 N 0.51 3.99 2.67 -3.83 0.00 -1.26 -1.60 105.19 105.67 1pt0 n GLY 111 Ca -0.15 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1pt0 n GLY 111 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pt0 n ASP 112 N 6.96 6.71 -3.61 1.61 2.03 -1.26 -4.65 116.55 124.32 1pt0 n ASP 112 Ca 0.00 -3.17 -0.27 0.00 0.52 0.00 0.00 54.79 51.87 1pt0 n ASP 112 Cb 0.00 -1.40 0.02 0.00 -0.72 0.00 0.00 41.12 39.02 1pt0 n ASP 112 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pt0 n ASN 113 N 2.51 -4.73 -4.65 1.67 3.02 -1.21 -4.96 115.26 106.91 1pt0 n ASN 113 Ca 0.50 -0.59 -0.41 0.00 -0.03 0.00 0.00 54.58 54.06 1pt0 n ASN 113 Cb 0.30 -3.82 -0.05 0.00 -0.61 0.00 0.00 39.78 35.60 1pt0 n ASN 113 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pt0 s GLU 114 N -6.30 4.21 0.10 3.52 8.01 -0.63 -4.92 118.70 122.70 1pt0 s GLU 114 Ca 0.54 0.83 -0.30 0.00 0.01 0.00 0.00 54.97 56.05 1pt0 s GLU 114 Cb -0.27 -3.61 -0.06 0.00 -4.31 0.00 0.00 34.13 25.88 1pt0 s GLU 114 CO 0.66 -0.39 1.14 1.41 0.01 0.00 0.00 175.26 178.09 1pt0 s MET 115 N 2.40 4.51 0.00 1.61 1.75 -1.26 -1.34 119.30 126.97 1pt0 s MET 115 Ca 0.33 1.71 0.29 0.00 -1.25 0.00 0.00 55.69 56.78 1pt0 s MET 115 Cb -0.16 -3.33 1.27 0.00 2.84 0.00 0.00 34.83 35.46 1pt0 s MET 115 CO 0.09 -0.10 1.87 0.36 -0.65 0.00 0.00 175.02 176.60