#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pt0 s MET 1 N 0.00 4.43 -0.12 -1.46 1.75 -1.26 -5.04 119.30 117.60 1pt0 s MET 1 Ca 0.00 1.10 0.03 0.00 -1.25 0.00 0.00 55.69 55.57 1pt0 s MET 1 Cb 0.00 -3.49 0.00 0.00 2.84 0.00 0.00 34.83 34.18 1pt0 s MET 1 CO 0.00 -0.10 -0.21 0.42 -0.65 0.00 0.00 175.02 174.48 1pt0 s ILE 2 N 1.30 2.21 0.13 10.11 -1.09 -1.26 -2.58 121.20 130.01 1pt0 s ILE 2 Ca 0.43 -0.95 -0.03 0.00 -2.23 0.00 0.00 60.65 57.87 1pt0 s ILE 2 Cb -0.18 -1.87 -0.05 0.00 -1.58 0.00 0.00 42.46 38.77 1pt0 s ILE 2 CO 0.19 0.55 0.33 -0.13 -1.23 0.00 0.00 174.94 174.65 1pt0 s ARG 3 N 0.59 3.55 -0.31 2.79 1.81 0.18 -4.89 118.95 122.68 1pt0 s ARG 3 Ca -0.12 -0.24 -0.10 0.00 -1.72 0.00 0.00 55.73 53.55 1pt0 s ARG 3 Cb -0.17 -2.91 -0.01 0.00 -0.45 0.00 0.00 34.95 31.41 1pt0 s ARG 3 CO 0.03 0.50 0.16 0.99 -0.68 0.00 0.00 175.30 176.30 1pt0 s THR 4 N -1.64 4.73 0.07 0.02 2.01 -1.26 -1.73 115.64 117.83 1pt0 s THR 4 Ca 0.39 -0.32 0.08 0.00 0.31 0.00 0.00 61.69 62.15 1pt0 s THR 4 Cb -0.12 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1pt0 s THR 4 CO 0.26 0.10 -0.22 -0.04 -0.69 0.00 0.00 174.62 174.03 1pt0 s MET 5 N 1.64 1.39 -0.07 4.92 -1.94 -0.15 -4.96 119.30 120.13 1pt0 s MET 5 Ca 0.05 -1.06 -0.29 0.00 -1.71 0.00 0.00 55.69 52.68 1pt0 s MET 5 Cb -0.17 -1.59 -0.07 0.00 2.01 0.00 0.00 34.83 35.02 1pt0 s MET 5 CO 0.07 0.40 1.93 -1.17 -0.01 0.00 0.00 175.02 176.24 1pt0 s LEU 6 N -1.45 4.12 0.01 -0.03 2.96 -1.26 -1.09 118.68 121.93 1pt0 s LEU 6 Ca 0.09 2.29 -0.19 0.00 -0.22 0.00 0.00 54.13 56.09 1pt0 s LEU 6 Cb -0.09 -3.53 -0.26 0.00 0.50 0.00 0.00 46.19 42.81 1pt0 s LEU 6 CO 0.03 -1.27 1.06 -0.61 -1.32 0.00 0.00 176.35 174.23 1pt0 h GLN 7 N 11.50 0.44 0.00 1.98 -0.00 -1.11 -3.39 115.11 124.52 1pt0 h GLN 7 Ca -0.44 -0.55 0.00 0.00 -0.00 0.00 0.00 58.65 57.66 1pt0 h GLN 7 Cb 1.22 0.17 0.00 0.00 0.00 0.00 0.00 27.48 28.87 1pt0 h GLN 7 CO 0.96 1.20 0.00 0.41 0.00 0.00 0.00 178.83 181.39 1pt0 n GLY 8 N 1.26 0.49 3.42 2.39 0.00 -1.18 -1.28 105.19 110.29 1pt0 n GLY 8 Ca -0.12 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 1pt0 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pt0 s LYS 9 N -2.00 1.07 -0.36 1.61 -2.85 -0.24 -1.79 119.74 115.17 1pt0 s LYS 9 Ca 0.00 -0.17 -0.14 0.00 -1.00 0.00 0.00 55.97 54.66 1pt0 s LYS 9 Cb 0.00 0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 36.25 1pt0 s LYS 9 CO 0.00 -0.39 0.27 -0.51 0.10 0.00 0.00 175.35 174.83 1pt0 s LEU 10 N -1.92 4.65 -0.38 2.77 1.43 0.27 -1.87 118.68 123.63 1pt0 s LEU 10 Ca -0.06 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 1pt0 s LEU 10 Cb -0.01 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1pt0 s LEU 10 CO -0.01 -0.31 0.34 -2.28 0.23 0.00 0.00 176.35 174.32 1pt0 s HIS 11 N 1.76 3.21 -1.09 0.29 2.46 -0.25 -1.39 115.29 120.28 1pt0 s HIS 11 Ca 0.07 -0.31 -0.01 0.00 0.47 0.00 0.00 55.06 55.28 1pt0 s HIS 11 Cb -0.18 -2.66 0.00 0.00 -0.13 0.00 0.00 32.58 29.61 1pt0 s HIS 11 CO 0.11 -0.53 0.92 0.54 -2.47 0.00 0.00 174.74 173.31 1pt0 n ARG 12 N 5.32 -6.10 -2.23 2.88 1.74 -0.71 -2.89 116.66 114.67 1pt0 n ARG 12 Ca -0.10 0.76 -0.31 0.00 -0.77 0.00 0.00 57.85 57.43 1pt0 n ARG 12 Cb 0.48 -5.52 -0.01 0.00 -1.02 0.00 0.00 32.46 26.39 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 -3.32 4.68 -0.17 1.55 -7.23 -0.60 -4.60 120.40 110.72 1pt0 s VAL 13 Ca 0.07 0.89 -0.08 0.00 -1.81 0.00 0.00 61.98 61.05 1pt0 s VAL 13 Cb -0.03 -3.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.06 1pt0 s VAL 13 CO 0.65 -0.90 0.08 -0.75 -0.31 0.00 0.00 175.10 173.87 1pt0 s LYS 14 N -4.64 3.89 0.09 4.82 2.20 -1.26 -0.83 119.74 124.01 1pt0 s LYS 14 Ca 0.55 -0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.56 1pt0 s LYS 14 Cb -0.10 -3.23 -0.08 0.00 -1.51 0.00 0.00 37.83 32.91 1pt0 s LYS 14 CO 0.43 0.37 1.55 0.08 -0.36 0.00 0.00 175.35 177.43 1pt0 s VAL 15 N 0.10 3.10 -0.09 4.02 1.01 -0.40 -4.52 120.40 123.63 1pt0 s VAL 15 Ca 0.06 0.65 0.18 0.00 0.00 0.00 0.00 61.98 62.88 1pt0 s VAL 15 Cb -0.12 -3.42 -0.28 0.00 0.00 0.00 0.00 36.38 32.56 1pt0 s VAL 15 CO 0.00 0.02 0.43 0.35 0.00 0.00 0.00 175.10 175.90 1pt0 n THR 16 N 4.43 0.00 -3.74 3.92 -2.24 0.23 -1.18 114.28 115.70 1pt0 n THR 16 Ca 0.14 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1pt0 n THR 16 Cb 0.41 0.15 -0.10 0.00 -2.10 0.00 0.00 70.33 68.68 1pt0 n THR 16 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1pt0 s HIS 17 N -3.24 -0.42 -0.25 4.78 2.46 -1.07 -4.92 115.29 112.63 1pt0 s HIS 17 Ca -0.06 1.03 -0.02 0.00 0.47 0.00 0.00 55.06 56.48 1pt0 s HIS 17 Cb 0.12 0.14 0.12 0.00 -0.13 0.00 0.00 32.58 32.84 1pt0 s HIS 17 CO 0.76 -0.21 0.29 0.00 -2.47 0.00 0.00 174.74 173.12 1pt0 s ALA 18 N 0.19 -0.54 -0.60 1.58 0.00 -1.26 -1.23 121.76 119.90 1pt0 s ALA 18 Ca -0.00 0.15 -0.32 0.00 0.00 0.00 0.00 51.96 51.79 1pt0 s ALA 18 Cb -0.03 -1.61 -0.14 0.00 0.00 0.00 0.00 23.12 21.34 1pt0 s ALA 18 CO 0.01 -1.45 2.41 -3.47 0.00 0.00 0.00 175.76 173.26 1pt0 n ASP 19 N 5.33 1.53 0.20 0.00 -0.08 -1.14 -4.74 116.55 117.63 1pt0 n ASP 19 Ca -0.04 0.10 0.14 0.00 -1.51 0.00 0.00 54.79 53.48 1pt0 n ASP 19 Cb 0.48 -1.22 0.71 0.00 2.34 0.00 0.00 41.12 43.43 1pt0 n ASP 19 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1pt0 h LEU 20 N 14.09 0.00 -0.35 -2.67 -0.00 -1.94 -0.70 115.31 123.74 1pt0 h LEU 20 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1pt0 h LEU 20 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 1pt0 h LEU 20 CO 1.18 0.00 -0.37 1.41 -0.00 0.00 0.00 178.44 180.66 1pt0 n HIS 21 N -2.44 0.00 -1.96 1.13 8.25 -1.26 -4.99 115.22 113.96 1pt0 n HIS 21 Ca -0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.29 1pt0 n HIS 21 Cb 0.06 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 1pt0 n HIS 21 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1pt0 n TYR 22 N -0.91 -0.44 -2.02 4.41 4.01 -0.27 -5.01 117.16 116.92 1pt0 n TYR 22 Ca 0.10 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.54 1pt0 n TYR 22 Cb 0.35 -3.02 0.04 0.00 -0.31 0.00 0.00 39.34 36.40 1pt0 n TYR 22 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1pt0 s GLU 23 N -4.19 2.97 2.24 -0.72 8.01 -1.26 -3.97 118.70 121.79 1pt0 s GLU 23 Ca 0.00 0.38 0.00 0.00 0.01 0.00 0.00 54.97 55.36 1pt0 s GLU 23 Cb 0.00 -2.10 0.00 0.00 -4.31 0.00 0.00 34.13 27.72 1pt0 s GLU 23 CO 0.00 -0.88 0.00 0.41 0.01 0.00 0.00 175.26 174.80 1pt0 n GLY 24 N -2.86 -0.97 3.45 -1.39 0.00 -1.26 -0.99 105.19 101.17 1pt0 n GLY 24 Ca 0.06 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 1pt0 n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pt0 s SER 25 N -4.00 -0.54 0.15 1.61 1.04 -1.26 -3.15 113.70 107.55 1pt0 s SER 25 Ca 0.00 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1pt0 s SER 25 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1pt0 s SER 25 CO 0.00 -0.84 0.00 0.00 0.98 0.00 0.00 173.24 173.38 1pt0 n ALA 26 N -0.14 -1.06 -3.56 5.32 0.00 -1.26 -4.54 120.51 115.26 1pt0 n ALA 26 Ca -0.16 0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 1pt0 n ALA 26 Cb 0.63 -0.37 -0.14 0.00 0.00 0.00 0.00 19.45 19.57 1pt0 n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pt0 s ALA 28 N 1.43 3.44 -0.04 0.00 0.00 -0.19 -1.11 121.76 125.29 1pt0 s ALA 28 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1pt0 s ALA 28 Cb -0.15 -2.74 0.03 0.00 0.00 0.00 0.00 23.12 20.25 1pt0 s ALA 28 CO -0.04 0.00 -0.01 0.42 0.00 0.00 0.00 175.76 176.14 1pt0 s ILE 29 N 0.54 0.30 -0.26 0.00 1.01 0.01 -0.79 121.20 122.00 1pt0 s ILE 29 Ca 0.30 0.03 -0.43 0.00 0.00 0.00 0.00 60.65 60.55 1pt0 s ILE 29 Cb -0.16 -0.38 -0.19 0.00 0.01 0.00 0.00 42.46 41.74 1pt0 s ILE 29 CO 0.13 0.18 1.41 -0.67 0.00 0.00 0.00 174.94 175.99 1pt0 n ASP 30 N 4.20 0.94 -0.28 3.58 -0.08 -0.63 0.25 116.55 124.53 1pt0 n ASP 30 Ca -0.24 1.16 0.21 0.00 -1.51 0.00 0.00 54.79 54.41 1pt0 n ASP 30 Cb 0.50 -0.94 0.52 0.00 2.34 0.00 0.00 41.12 43.54 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 4.50 0.38 -0.87 -0.67 5.75 -1.46 0.22 115.11 122.95 1pt0 h GLN 31 Ca -0.47 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.02 1pt0 h GLN 31 Cb 1.38 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.80 1pt0 h GLN 31 CO 0.85 0.25 0.58 -0.44 -2.65 0.00 0.00 178.83 177.42 1pt0 h ASP 32 N 0.39 0.99 -0.18 -0.69 3.32 -1.87 -0.65 116.42 117.73 1pt0 h ASP 32 Ca 0.53 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.39 1pt0 h ASP 32 Cb 1.35 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1pt0 h ASP 32 CO -0.22 0.71 -0.53 -0.26 -1.72 0.00 0.00 179.24 177.21 1pt0 h PHE 33 N 1.16 0.88 -0.61 4.55 0.04 -1.31 -2.32 116.94 119.34 1pt0 h PHE 33 Ca 0.33 -0.35 0.07 0.00 2.80 0.00 0.00 57.97 60.81 1pt0 h PHE 33 Cb -0.10 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 37.84 1pt0 h PHE 33 CO -0.00 1.14 0.30 -0.07 -0.60 0.00 0.00 178.31 179.08 1pt0 h LEU 34 N 0.37 0.40 -0.25 1.54 3.38 -1.14 -1.51 115.31 118.11 1pt0 h LEU 34 Ca -0.01 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1pt0 h LEU 34 Cb 1.15 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1pt0 h LEU 34 CO 0.11 0.25 0.12 0.44 0.09 0.00 0.00 178.44 179.46 1pt0 h ASP 35 N 0.54 0.19 -0.22 -0.43 3.32 -0.99 -0.64 116.42 118.19 1pt0 h ASP 35 Ca 0.29 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 1pt0 h ASP 35 Cb 0.25 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1pt0 h ASP 35 CO -0.22 0.14 -0.07 0.00 -1.72 0.00 0.00 179.24 177.37 1pt0 h ALA 36 N 1.12 1.22 -0.01 3.45 0.00 -1.06 -2.76 119.26 121.23 1pt0 h ALA 36 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pt0 h ALA 36 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1pt0 h ALA 36 CO -0.07 0.51 -0.18 0.00 0.00 0.00 0.00 179.25 179.51 1pt0 n ALA 37 N -2.48 2.93 -1.25 0.00 0.00 -0.60 -4.42 120.51 114.69 1pt0 n ALA 37 Ca 0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 52.98 1pt0 n ALA 37 Cb 0.31 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 3.77 0.00 0.00 -0.34 -4.16 105.19 106.78 1pt0 n GLY 38 Ca 0.14 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.24 4.81 0.09 -0.61 1.01 -0.62 -4.98 121.20 118.66 1pt0 s ILE 39 Ca 0.00 1.33 0.01 0.00 0.00 0.00 0.00 60.65 61.99 1pt0 s ILE 39 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1pt0 s ILE 39 CO 0.00 0.44 0.24 -0.76 0.00 0.00 0.00 174.94 174.86 1pt0 s LEU 40 N -0.42 4.35 0.24 2.97 1.43 -1.26 -4.53 118.68 121.46 1pt0 s LEU 40 Ca 0.32 0.25 -0.31 0.00 -1.03 0.00 0.00 54.13 53.35 1pt0 s LEU 40 Cb -0.19 -2.95 -0.13 0.00 0.03 0.00 0.00 46.19 42.94 1pt0 s LEU 40 CO 0.19 0.13 1.43 1.21 0.23 0.00 0.00 176.35 179.54 1pt0 n GLU 41 N 0.01 2.07 -0.97 1.70 2.13 -1.26 -1.97 120.64 122.34 1pt0 n GLU 41 Ca -0.06 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.50 1pt0 n GLU 41 Cb 0.52 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.82 1pt0 n GLU 41 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1pt0 n ASN 42 N 2.24 -3.16 -4.75 4.31 5.03 0.11 -5.00 115.26 114.04 1pt0 n ASN 42 Ca 0.12 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.17 1pt0 n ASN 42 Cb 0.31 -1.25 -0.06 0.00 -1.02 0.00 0.00 39.78 37.77 1pt0 n ASN 42 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1pt0 s GLU 43 N -0.52 4.82 0.31 3.52 2.12 -0.83 -4.76 118.70 123.35 1pt0 s GLU 43 Ca 0.00 1.50 -0.30 0.00 0.36 0.00 0.00 54.97 56.54 1pt0 s GLU 43 Cb 0.00 -3.29 -0.12 0.00 0.26 0.00 0.00 34.13 30.98 1pt0 s GLU 43 CO 0.00 0.44 1.51 0.00 -0.54 0.00 0.00 175.26 176.67 1pt0 n ALA 44 N 1.73 2.15 -2.80 6.30 0.00 -1.26 -1.23 120.51 125.40 1pt0 n ALA 44 Ca -0.01 0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.65 1pt0 n ALA 44 Cb 0.47 -2.40 -0.12 0.00 0.00 0.00 0.00 19.45 17.40 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 -0.36 0.71 -0.15 0.00 -4.36 -0.60 -4.57 121.20 111.86 1pt0 s ILE 45 Ca 0.61 -1.03 -0.06 0.00 -0.26 0.00 0.00 60.65 59.92 1pt0 s ILE 45 Cb -0.52 -0.72 -0.04 0.00 1.25 0.00 0.00 42.46 42.43 1pt0 s ILE 45 CO 0.53 -0.26 0.05 -1.81 0.24 0.00 0.00 174.94 173.70 1pt0 s ASP 46 N -1.42 5.57 -0.17 4.36 1.01 0.22 -1.28 116.67 124.97 1pt0 s ASP 46 Ca -0.06 0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.32 1pt0 s ASP 46 Cb -0.09 -1.85 -0.01 0.00 1.01 0.00 0.00 42.92 41.98 1pt0 s ASP 46 CO 0.01 0.25 -0.11 -0.63 0.21 0.00 0.00 175.17 174.89 1pt0 s ILE 47 N -0.10 2.97 -0.30 0.77 1.01 0.78 -0.78 121.20 125.56 1pt0 s ILE 47 Ca 0.06 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 60.00 1pt0 s ILE 47 Cb -0.12 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.09 1pt0 s ILE 47 CO 0.01 0.49 0.05 0.26 0.00 0.00 0.00 174.94 175.75 1pt0 s TRP 48 N 0.90 3.16 -0.50 3.97 0.51 -0.22 -1.41 118.94 125.35 1pt0 s TRP 48 Ca -0.03 -1.27 -0.23 0.00 -2.12 0.00 0.00 56.10 52.45 1pt0 s TRP 48 Cb -0.15 -2.20 0.04 0.00 -0.81 0.00 0.00 33.47 30.34 1pt0 s TRP 48 CO -0.00 -0.66 0.85 1.21 -0.51 0.00 0.00 176.95 177.83 1pt0 s ASN 49 N 1.42 6.37 0.33 2.95 3.84 0.41 -1.16 114.94 129.10 1pt0 s ASN 49 Ca 0.00 -0.29 0.14 0.00 0.21 0.00 0.00 52.86 52.92 1pt0 s ASN 49 Cb -0.18 -2.40 0.56 0.00 -0.55 0.00 0.00 41.25 38.68 1pt0 s ASN 49 CO 0.01 -1.06 1.71 0.58 -2.79 0.00 0.00 177.10 175.54 1pt0 h VAL 50 N 5.99 1.24 -0.11 -5.21 2.07 -1.21 0.19 116.25 119.20 1pt0 h VAL 50 Ca -0.26 -1.72 -0.06 0.00 0.82 0.00 0.00 66.70 65.49 1pt0 h VAL 50 Cb 1.08 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1pt0 h VAL 50 CO 1.02 0.47 -0.15 0.74 0.02 0.00 0.00 177.57 179.68 1pt0 h THR 51 N 0.00 1.37 -0.03 2.57 2.02 -1.89 -3.37 112.91 113.59 1pt0 h THR 51 Ca -0.00 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1pt0 h THR 51 Cb 0.92 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1pt0 h THR 51 CO 0.06 0.39 0.00 -0.46 0.37 0.00 0.00 175.52 175.88 1pt0 n ASN 52 N -4.58 1.67 0.00 4.18 0.23 -1.22 -5.01 115.26 110.54 1pt0 n ASN 52 Ca -0.07 -1.35 0.00 0.00 -0.53 0.00 0.00 54.58 52.63 1pt0 n ASN 52 Cb 0.37 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 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 0.38 1.66 3.77 4.83 0.00 0.65 -5.02 105.19 111.46 1pt0 n GLY 53 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.06 4.42 -0.09 1.61 1.02 -1.23 -4.78 119.74 120.63 1pt0 s LYS 54 Ca 0.00 1.76 0.02 0.00 0.02 0.00 0.00 55.97 57.77 1pt0 s LYS 54 Cb 0.00 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1pt0 s LYS 54 CO 0.00 0.03 -0.15 1.03 -0.92 0.00 0.00 175.35 175.34 1pt0 s ARG 55 N -1.84 2.06 0.14 1.68 0.52 -1.26 -0.45 118.95 119.80 1pt0 s ARG 55 Ca 0.50 -0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 55.06 1pt0 s ARG 55 Cb -0.30 -1.70 0.01 0.00 0.52 0.00 0.00 34.95 33.48 1pt0 s ARG 55 CO 0.38 0.01 0.32 -0.59 0.02 0.00 0.00 175.30 175.44 1pt0 s PHE 56 N 0.77 0.09 0.01 -0.53 -0.71 -0.50 -5.02 117.98 112.09 1pt0 s PHE 56 Ca -0.12 -0.46 0.07 0.00 -1.04 0.00 0.00 56.93 55.38 1pt0 s PHE 56 Cb -0.16 0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.73 1pt0 s PHE 56 CO 0.02 -0.69 -0.21 -1.12 -1.34 0.00 0.00 175.22 171.88 1pt0 s SER 57 N -2.88 2.43 0.00 1.98 0.01 -1.26 -0.15 113.70 113.83 1pt0 s SER 57 Ca 0.09 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1pt0 s SER 57 Cb 0.03 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1pt0 s SER 57 CO -0.07 0.21 0.00 1.07 0.41 0.00 0.00 173.24 174.86 1pt0 n THR 58 N 2.21 0.00 -4.06 1.44 5.66 -0.40 -5.00 114.28 114.13 1pt0 n THR 58 Ca -0.16 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.76 1pt0 n THR 58 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 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 -0.15 0.47 0.09 1.09 1.13 -1.26 -1.56 117.35 117.16 1pt0 s TYR 59 Ca 0.00 -0.88 -0.20 0.00 -1.41 0.00 0.00 57.07 54.58 1pt0 s TYR 59 Cb 0.00 -0.34 -0.07 0.00 -1.10 0.00 0.00 41.96 40.46 1pt0 s TYR 59 CO 0.00 -0.30 0.61 0.00 -2.51 0.00 0.00 175.55 173.35 1pt0 s ALA 60 N -3.06 3.56 0.16 9.51 0.00 -0.37 -1.49 121.76 130.08 1pt0 s ALA 60 Ca -0.00 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.12 1pt0 s ALA 60 Cb 0.02 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 1pt0 s ALA 60 CO -0.07 0.37 -0.14 0.96 0.00 0.00 0.00 175.76 176.89 1pt0 s ILE 61 N -1.09 1.50 0.11 0.00 -4.36 -0.26 0.07 121.20 117.16 1pt0 s ILE 61 Ca 0.30 -1.98 -0.28 0.00 -0.26 0.00 0.00 60.65 58.43 1pt0 s ILE 61 Cb -0.20 -1.81 -0.06 0.00 1.25 0.00 0.00 42.46 41.64 1pt0 s ILE 61 CO 0.20 -0.53 0.89 0.00 0.24 0.00 0.00 174.94 175.74 1pt0 s ALA 62 N -2.66 3.30 0.32 2.27 0.00 -1.26 -0.81 121.76 122.93 1pt0 s ALA 62 Ca 0.16 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.66 1pt0 s ALA 62 Cb -0.02 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1pt0 s ALA 62 CO 0.04 0.04 0.41 0.00 0.00 0.00 0.00 175.76 176.26 1pt0 s ALA 63 N -0.20 4.10 0.04 0.00 0.00 0.14 -4.64 121.76 121.19 1pt0 s ALA 63 Ca 0.43 -1.46 -0.37 0.00 0.00 0.00 0.00 51.96 50.56 1pt0 s ALA 63 Cb -0.23 -1.58 -0.16 0.00 0.00 0.00 0.00 23.12 21.15 1pt0 s ALA 63 CO 0.28 0.03 1.44 -1.91 0.00 0.00 0.00 175.76 175.60 1pt0 n GLU 64 N -1.54 1.30 -1.65 0.00 2.13 -1.26 -1.57 120.64 118.05 1pt0 n GLU 64 Ca -0.02 0.47 -0.52 0.00 0.66 0.00 0.00 57.16 57.75 1pt0 n GLU 64 Cb 0.58 -2.14 -0.06 0.00 0.27 0.00 0.00 31.44 30.10 1pt0 n GLU 64 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1pt0 n ARG 65 N 3.16 1.49 -0.36 5.31 0.63 -1.26 -1.45 116.66 124.19 1pt0 n ARG 65 Ca 0.20 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 1pt0 n ARG 65 Cb 0.20 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 30.86 1pt0 n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pt0 n GLY 66 N 3.36 1.31 0.22 5.14 0.00 -1.26 -4.92 105.19 109.04 1pt0 n GLY 66 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.99 1.61 4.64 -1.60 -3.47 113.55 112.74 1pt0 h SER 67 Ca 0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 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 0.22 -0.42 0.54 -0.87 0.00 0.00 176.83 176.31 1pt0 n ARG 68 N -3.31 -1.58 -2.52 4.77 1.74 -1.26 -4.95 116.66 109.55 1pt0 n ARG 68 Ca 0.01 1.05 -0.41 0.00 -0.77 0.00 0.00 57.85 57.73 1pt0 n ARG 68 Cb 0.47 -5.54 -0.04 0.00 -1.02 0.00 0.00 32.46 26.33 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 -2.78 3.77 -0.31 0.55 1.01 -1.26 -4.87 121.20 117.31 1pt0 s ILE 69 Ca 0.00 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.26 1pt0 s ILE 69 Cb 0.00 -4.02 0.10 0.00 0.01 0.00 0.00 42.46 38.54 1pt0 s ILE 69 CO 0.00 0.31 0.09 -0.63 0.00 0.00 0.00 174.94 174.71 1pt0 s ILE 70 N -0.56 1.13 -0.19 2.92 -1.09 -1.25 -1.60 121.20 120.56 1pt0 s ILE 70 Ca 0.47 -1.55 -0.01 0.00 -2.23 0.00 0.00 60.65 57.33 1pt0 s ILE 70 Cb -0.30 -1.84 0.00 0.00 -1.58 0.00 0.00 42.46 38.74 1pt0 s ILE 70 CO 0.36 -0.64 -0.12 -0.55 -1.23 0.00 0.00 174.94 172.76 1pt0 s SER 71 N 1.49 3.76 -0.33 3.58 0.15 0.03 -0.60 113.70 121.78 1pt0 s SER 71 Ca 0.10 -0.49 -0.08 0.00 0.70 0.00 0.00 55.95 56.18 1pt0 s SER 71 Cb -0.18 -1.61 0.02 0.00 -1.71 0.00 0.00 66.02 62.55 1pt0 s SER 71 CO -0.22 0.02 0.12 -0.69 1.20 0.00 0.00 173.24 173.67 1pt0 s VAL 72 N 1.21 4.03 0.49 4.45 1.01 -0.37 -1.02 120.40 130.20 1pt0 s VAL 72 Ca 0.02 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1pt0 s VAL 72 Cb -0.14 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1pt0 s VAL 72 CO -0.05 -0.09 0.07 0.20 0.00 0.00 0.00 175.10 175.23 1pt0 s ASN 73 N 1.47 4.18 0.67 3.32 0.01 -0.91 -2.90 114.94 120.78 1pt0 s ASN 73 Ca 0.01 -1.51 0.00 0.00 -0.71 0.00 0.00 52.86 50.65 1pt0 s ASN 73 Cb -0.19 0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.75 1pt0 s ASN 73 CO 0.04 -0.79 0.00 0.61 -1.51 0.00 0.00 177.10 175.44 1pt0 n GLY 74 N -1.28 1.32 0.38 0.66 0.00 -0.16 -2.43 105.19 103.68 1pt0 n GLY 74 Ca -0.13 -0.67 0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.67 2.37 0.00 4.61 0.00 -1.83 -2.65 119.26 121.09 1pt0 h ALA 75 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pt0 h ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pt0 h ALA 75 CO 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 179.25 178.72 1pt0 h ALA 76 N 1.71 1.00 0.00 0.00 0.00 -1.83 -1.21 119.26 118.93 1pt0 h ALA 76 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1pt0 h ALA 76 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1pt0 h ALA 76 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1pt0 n ALA 77 N -2.03 1.58 0.45 0.00 0.00 -1.00 -1.24 120.51 118.27 1pt0 n ALA 77 Ca 0.01 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.59 1pt0 n ALA 77 Cb 0.27 -1.31 0.43 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.94 0.55 0.23 0.00 8.25 -0.46 -3.82 115.22 118.04 1pt0 n HIS 78 Ca 0.02 0.21 0.02 0.00 -0.26 0.00 0.00 57.72 57.72 1pt0 n HIS 78 Cb 0.18 -0.84 -0.02 0.00 1.12 0.00 0.00 29.99 30.43 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 -1.33 -0.93 0.14 0.00 0.00 -1.13 -4.82 121.76 113.69 1pt0 s ALA 80 Ca 0.03 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.39 1pt0 s ALA 80 Cb 0.04 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1pt0 s ALA 80 CO 0.19 -0.36 -0.11 -1.12 0.00 0.00 0.00 175.76 174.36 1pt0 s SER 81 N -1.66 1.80 0.15 0.00 0.01 -1.26 -4.65 113.70 108.09 1pt0 s SER 81 Ca -0.09 -0.95 -0.34 0.00 1.31 0.00 0.00 55.95 55.88 1pt0 s SER 81 Cb -0.03 -0.02 -0.14 0.00 0.21 0.00 0.00 66.02 66.05 1pt0 s SER 81 CO 0.01 -0.28 1.60 0.52 0.41 0.00 0.00 173.24 175.50 1pt0 n VAL 82 N 0.05 0.04 0.00 3.43 0.31 -1.26 -1.63 118.33 119.26 1pt0 n VAL 82 Ca -0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1pt0 n VAL 82 Cb 0.59 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 1pt0 n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pt0 n GLY 83 N 3.47 3.45 3.77 2.92 0.00 -0.32 -4.99 105.19 113.48 1pt0 n GLY 83 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.00 6.14 -0.17 1.61 1.01 -0.65 -4.72 116.67 118.90 1pt0 s ASP 84 Ca 0.00 2.54 -0.14 0.00 0.71 0.00 0.00 52.55 55.65 1pt0 s ASP 84 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1pt0 s ASP 84 CO 0.00 -0.96 0.33 -0.63 0.21 0.00 0.00 175.17 174.12 1pt0 s ILE 85 N -1.36 5.27 0.12 0.77 -1.09 -1.26 -1.28 121.20 122.37 1pt0 s ILE 85 Ca 0.61 0.60 0.04 0.00 -2.23 0.00 0.00 60.65 59.67 1pt0 s ILE 85 Cb -0.35 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1pt0 s ILE 85 CO 0.43 0.35 -0.11 0.68 -1.23 0.00 0.00 174.94 175.06 1pt0 s VAL 86 N 0.74 1.11 -0.15 2.92 -7.23 -0.01 -0.69 120.40 117.09 1pt0 s VAL 86 Ca 0.17 -1.81 -0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1pt0 s VAL 86 Cb -0.14 -1.58 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 1pt0 s VAL 86 CO 0.05 -0.60 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.48 1pt0 s ILE 87 N -2.70 2.88 -0.19 -0.62 1.01 -0.31 -1.55 121.20 119.73 1pt0 s ILE 87 Ca 0.10 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 1pt0 s ILE 87 Cb -0.01 -2.22 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 1pt0 s ILE 87 CO 0.01 0.51 -0.10 -0.63 0.00 0.00 0.00 174.94 174.73 1pt0 s ILE 88 N 0.67 2.99 0.06 2.92 1.01 -0.49 -1.06 121.20 127.32 1pt0 s ILE 88 Ca -0.07 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.00 1pt0 s ILE 88 Cb -0.15 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1pt0 s ILE 88 CO 0.02 0.47 -0.16 0.00 0.00 0.00 0.00 174.94 175.28 1pt0 s ALA 89 N 1.16 1.31 0.15 9.38 0.00 0.04 -0.56 121.76 133.25 1pt0 s ALA 89 Ca 0.02 -0.98 0.11 0.00 0.00 0.00 0.00 51.96 51.11 1pt0 s ALA 89 Cb -0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1pt0 s ALA 89 CO -0.03 0.23 -0.25 -1.54 0.00 0.00 0.00 175.76 174.17 1pt0 s SER 90 N -1.49 3.44 0.03 0.00 1.04 -0.74 -0.61 113.70 115.37 1pt0 s SER 90 Ca 0.01 -0.77 0.08 0.00 0.48 0.00 0.00 55.95 55.76 1pt0 s SER 90 Cb -0.09 -0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.73 1pt0 s SER 90 CO 0.02 0.16 -0.23 -0.36 0.98 0.00 0.00 173.24 173.81 1pt0 s PHE 91 N -1.29 2.06 0.21 5.02 0.40 -1.26 -0.50 117.98 122.61 1pt0 s PHE 91 Ca 0.17 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.17 1pt0 s PHE 91 Cb -0.09 -1.26 -0.05 0.00 0.51 0.00 0.00 43.02 42.13 1pt0 s PHE 91 CO 0.08 0.07 -0.09 0.14 0.70 0.00 0.00 175.22 176.12 1pt0 s VAL 92 N -0.73 1.46 0.11 -0.44 -7.23 -0.25 -4.82 120.40 108.49 1pt0 s VAL 92 Ca 0.09 -2.13 0.07 0.00 -1.81 0.00 0.00 61.98 58.21 1pt0 s VAL 92 Cb -0.09 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1pt0 s VAL 92 CO 0.01 -0.52 -0.10 0.42 -0.31 0.00 0.00 175.10 174.60 1pt0 s THR 93 N -3.15 3.39 0.12 5.32 -4.23 -1.26 -0.98 115.64 114.86 1pt0 s THR 93 Ca 0.24 -1.27 -0.25 0.00 -1.18 0.00 0.00 61.69 59.22 1pt0 s THR 93 Cb 0.02 -2.59 0.07 0.00 1.34 0.00 0.00 72.50 71.34 1pt0 s THR 93 CO 0.07 0.10 0.77 0.00 -0.54 0.00 0.00 174.62 175.02 1pt0 s MET 94 N -2.24 1.19 0.85 3.99 0.23 -0.70 -4.96 119.30 117.66 1pt0 s MET 94 Ca 0.22 -0.53 -0.11 0.00 -1.03 0.00 0.00 55.69 54.24 1pt0 s MET 94 Cb -0.11 0.49 0.11 0.00 -1.53 0.00 0.00 34.83 33.79 1pt0 s MET 94 CO 0.14 -0.53 1.16 -2.14 -2.03 0.00 0.00 175.02 171.62 1pt0 s PRO 95 N -3.49 1.41 0.22 3.16 0.02 -1.26 -0.64 135.00 134.42 1pt0 s PRO 95 Ca 0.06 1.59 -0.07 0.00 0.02 0.00 0.00 61.00 62.60 1pt0 s PRO 95 Cb -0.02 -1.77 0.33 0.00 0.02 0.00 0.00 34.50 33.07 1pt0 s PRO 95 CO -0.06 -2.35 1.77 0.22 -0.33 0.00 0.00 177.00 176.25 1pt0 h ASP 96 N -1.38 0.42 -0.29 2.53 3.58 -1.88 -0.98 116.42 118.42 1pt0 h ASP 96 Ca -0.44 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.06 1pt0 h ASP 96 Cb 1.27 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 1pt0 h ASP 96 CO 0.44 0.23 0.13 -0.08 -2.88 0.00 0.00 179.24 177.09 1pt0 h GLU 97 N 0.56 0.41 -0.91 0.28 4.81 -1.91 -0.95 114.58 116.88 1pt0 h GLU 97 Ca 0.35 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1pt0 h GLU 97 Cb 0.39 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1pt0 h GLU 97 CO -0.28 0.40 0.57 1.49 -0.73 0.00 0.00 179.01 180.46 1pt0 h GLU 98 N 0.33 1.22 -0.30 1.92 4.81 -1.85 -2.60 114.58 118.11 1pt0 h GLU 98 Ca 0.10 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1pt0 h GLU 98 Cb 0.13 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1pt0 h GLU 98 CO -0.01 0.84 0.16 0.00 -0.73 0.00 0.00 179.01 179.27 1pt0 h ALA 99 N 1.31 1.72 0.00 2.92 0.00 -0.54 -2.35 119.26 122.32 1pt0 h ALA 99 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1pt0 h ALA 99 Cb -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1pt0 h ALA 99 CO -0.06 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1pt0 h ARG 100 N 0.42 0.00 0.00 0.00 3.08 -0.78 -2.75 114.38 114.35 1pt0 h ARG 100 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1pt0 h ARG 100 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1pt0 h ARG 100 CO -0.02 0.00 -0.04 0.25 -1.07 0.00 0.00 179.97 179.10 1pt0 n THR 101 N -2.84 1.36 -2.23 2.04 -2.24 -1.01 -5.07 114.28 104.29 1pt0 n THR 101 Ca 0.01 -1.57 -0.41 0.00 -2.27 0.00 0.00 64.05 59.81 1pt0 n THR 101 Cb 0.28 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 1pt0 n THR 101 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1pt0 s TRP 102 N -1.90 3.24 -0.23 4.78 -0.11 -0.92 -5.02 118.94 118.78 1pt0 s TRP 102 Ca 0.17 1.40 0.02 0.00 1.22 0.00 0.00 56.10 58.91 1pt0 s TRP 102 Cb 0.15 -3.57 0.04 0.00 -1.50 0.00 0.00 33.47 28.60 1pt0 s TRP 102 CO 0.02 -1.60 -0.15 -0.98 -4.62 0.00 0.00 176.95 169.62 1pt0 s ARG 103 N -1.07 2.54 0.60 5.86 1.04 -1.26 -5.06 118.95 121.61 1pt0 s ARG 103 Ca 0.51 -1.12 -0.18 0.00 -1.04 0.00 0.00 55.73 53.90 1pt0 s ARG 103 Cb -0.37 -2.74 -0.03 0.00 -2.04 0.00 0.00 34.95 29.77 1pt0 s ARG 103 CO 0.45 -0.42 1.17 -2.14 -0.04 0.00 0.00 175.30 174.32 1pt0 s PRO 104 N 1.19 2.95 -0.39 3.89 0.02 -1.26 -4.99 135.00 136.41 1pt0 s PRO 104 Ca -0.03 1.70 -0.25 0.00 0.02 0.00 0.00 61.00 62.44 1pt0 s PRO 104 Cb -0.17 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.43 1pt0 s PRO 104 CO -0.08 -1.19 0.88 -0.80 -0.33 0.00 0.00 177.00 175.48 1pt0 s ASN 105 N -1.83 6.59 -0.11 2.53 0.01 -0.41 -4.92 114.94 116.82 1pt0 s ASN 105 Ca 0.74 0.39 0.03 0.00 -0.71 0.00 0.00 52.86 53.31 1pt0 s ASN 105 Cb -0.27 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 38.94 1pt0 s ASN 105 CO 0.34 -0.87 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.17 1pt0 s VAL 106 N 3.43 2.41 -0.16 1.60 1.01 -1.26 -1.08 120.40 126.34 1pt0 s VAL 106 Ca 0.36 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1pt0 s VAL 106 Cb -0.12 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1pt0 s VAL 106 CO 0.20 0.55 -0.11 0.00 0.00 0.00 0.00 175.10 175.74 1pt0 s ALA 107 N 0.29 2.65 0.01 5.51 0.00 -0.78 -4.94 121.76 124.50 1pt0 s ALA 107 Ca -0.15 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 1pt0 s ALA 107 Cb -0.17 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 1pt0 s ALA 107 CO 0.07 -0.04 0.11 0.71 0.00 0.00 0.00 175.76 176.62 1pt0 s TYR 108 N 0.82 3.34 0.08 0.00 2.02 -1.26 -1.09 117.35 121.26 1pt0 s TYR 108 Ca -0.04 0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.92 1pt0 s TYR 108 Cb -0.15 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 1pt0 s TYR 108 CO 0.01 0.57 -0.11 -0.06 -1.57 0.00 0.00 175.55 174.38 1pt0 s PHE 109 N -1.27 1.06 0.24 2.71 0.40 -1.14 0.86 117.98 120.83 1pt0 s PHE 109 Ca 0.25 -0.56 -0.13 0.00 -0.60 0.00 0.00 56.93 55.89 1pt0 s PHE 109 Cb -0.12 -0.59 0.00 0.00 0.51 0.00 0.00 43.02 42.82 1pt0 s PHE 109 CO 0.17 0.01 0.48 -1.83 0.70 0.00 0.00 175.22 174.75 1pt0 s GLU 110 N -2.25 1.51 6.36 0.44 -1.05 -0.71 -4.86 118.70 118.12 1pt0 s GLU 110 Ca 0.01 -1.19 0.00 0.00 -0.15 0.00 0.00 54.97 53.64 1pt0 s GLU 110 Cb -0.06 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 1pt0 s GLU 110 CO 0.01 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 176.00 1pt0 n GLY 111 N -0.37 3.36 2.30 -3.83 0.00 -1.26 -0.79 105.19 104.60 1pt0 n GLY 111 Ca -0.03 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 3.91 7.41 -4.03 1.61 2.03 -1.26 -4.53 116.55 121.69 1pt0 n ASP 112 Ca 0.00 -2.78 -0.29 0.00 0.52 0.00 0.00 54.79 52.24 1pt0 n ASP 112 Cb 0.00 -1.43 -0.02 0.00 -0.72 0.00 0.00 41.12 38.95 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 2.47 -1.43 -4.65 1.67 3.02 -1.12 -4.93 115.26 110.29 1pt0 n ASN 113 Ca 0.62 -0.99 -0.42 0.00 -0.03 0.00 0.00 54.58 53.76 1pt0 n ASN 113 Cb 0.45 -3.03 -0.04 0.00 -0.61 0.00 0.00 39.78 36.55 1pt0 n ASN 113 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1pt0 s GLU 114 N -6.67 4.21 -0.23 3.52 2.56 0.03 -4.90 118.70 117.22 1pt0 s GLU 114 Ca 0.25 1.00 -0.26 0.00 0.00 0.00 0.00 54.97 55.95 1pt0 s GLU 114 Cb -0.13 -3.63 0.00 0.00 2.00 0.00 0.00 34.13 32.36 1pt0 s GLU 114 CO 0.90 -0.50 0.92 1.41 -0.56 0.00 0.00 175.26 177.42 1pt0 s MET 115 N 2.79 4.22 0.00 4.30 -2.45 -1.26 -1.74 119.30 125.16 1pt0 s MET 115 Ca 0.36 1.12 0.00 0.00 -1.25 0.00 0.00 55.69 55.92 1pt0 s MET 115 Cb -0.15 -3.64 0.00 0.00 1.25 0.00 0.00 34.83 32.29 1pt0 s MET 115 CO 0.08 -0.55 0.00 0.36 1.05 0.00 0.00 175.02 175.96