#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pt1 s SER 0 N 0.00 6.16 0.18 1.61 1.04 -1.26 -4.98 113.70 116.46 1pt1 s SER 0 Ca 0.00 1.86 -0.30 0.00 0.48 0.00 0.00 55.95 57.99 1pt1 s SER 0 Cb 0.00 -2.55 -0.08 0.00 0.10 0.00 0.00 66.02 63.50 1pt1 s SER 0 CO 0.00 -0.91 1.08 -0.32 0.98 0.00 0.00 173.24 174.07 1pt1 s MET 1 N -3.61 4.62 -0.17 4.02 -2.45 -1.26 -5.02 119.30 115.44 1pt1 s MET 1 Ca 0.65 1.69 -0.02 0.00 -1.25 0.00 0.00 55.69 56.77 1pt1 s MET 1 Cb -0.16 -3.28 -0.01 0.00 1.25 0.00 0.00 34.83 32.63 1pt1 s MET 1 CO 0.27 0.12 -0.10 0.42 1.05 0.00 0.00 175.02 176.78 1pt1 s ILE 2 N -0.35 3.12 0.20 10.11 -1.09 -1.26 -3.00 121.20 128.92 1pt1 s ILE 2 Ca 0.48 -0.61 -0.04 0.00 -2.23 0.00 0.00 60.65 58.25 1pt1 s ILE 2 Cb -0.29 -2.35 -0.05 0.00 -1.58 0.00 0.00 42.46 38.19 1pt1 s ILE 2 CO 0.35 0.49 0.43 -0.13 -1.23 0.00 0.00 174.94 174.85 1pt1 s ARG 3 N 0.82 3.60 -0.25 2.79 1.81 0.32 -4.89 118.95 123.15 1pt1 s ARG 3 Ca -0.03 -0.12 -0.07 0.00 -1.72 0.00 0.00 55.73 53.78 1pt1 s ARG 3 Cb -0.15 -2.78 -0.03 0.00 -0.45 0.00 0.00 34.95 31.54 1pt1 s ARG 3 CO 0.01 0.38 0.07 0.99 -0.68 0.00 0.00 175.30 176.06 1pt1 s THR 4 N -1.84 4.28 0.05 0.02 2.01 -1.26 -1.72 115.64 117.19 1pt1 s THR 4 Ca 0.41 -0.18 0.06 0.00 0.31 0.00 0.00 61.69 62.29 1pt1 s THR 4 Cb -0.11 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 1pt1 s THR 4 CO 0.27 0.34 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.33 1pt1 s MET 5 N 1.60 1.06 0.03 4.92 1.00 0.35 -4.96 119.30 123.29 1pt1 s MET 5 Ca 0.06 -0.90 -0.30 0.00 0.00 0.00 0.00 55.69 54.56 1pt1 s MET 5 Cb -0.15 -1.13 -0.08 0.00 0.00 0.00 0.00 34.83 33.47 1pt1 s MET 5 CO 0.03 0.28 1.81 -1.17 0.00 0.00 0.00 175.02 175.97 1pt1 s LEU 6 N -1.36 4.39 -0.08 -0.03 2.96 -1.26 -1.07 118.68 122.23 1pt1 s LEU 6 Ca 0.03 2.52 -0.18 0.00 -0.22 0.00 0.00 54.13 56.29 1pt1 s LEU 6 Cb -0.09 -3.54 -0.29 0.00 0.50 0.00 0.00 46.19 42.77 1pt1 s LEU 6 CO 0.02 -0.98 0.67 -0.61 -1.32 0.00 0.00 176.35 174.13 1pt1 h GLN 7 N 9.67 0.27 -1.94 1.98 -0.00 -1.05 -3.40 115.11 120.64 1pt1 h GLN 7 Ca -0.45 -0.47 0.16 0.00 -0.00 0.00 0.00 58.65 57.90 1pt1 h GLN 7 Cb 1.21 0.17 -0.17 0.00 0.00 0.00 0.00 27.48 28.69 1pt1 h GLN 7 CO 0.94 1.22 0.62 0.20 0.00 0.00 0.00 178.83 181.81 1pt1 s GLY 8 N -4.79 -0.39 -0.06 2.39 0.00 -1.16 -1.04 107.32 102.27 1pt1 s GLY 8 Ca -0.18 1.30 -0.15 0.00 0.00 0.00 0.00 44.72 45.70 1pt1 s GLY 8 CO 0.79 0.45 0.35 -1.59 0.00 0.00 0.00 173.10 173.10 1pt1 s LYS 9 N -2.74 0.59 -0.38 2.90 -2.85 -0.19 -1.74 119.74 115.34 1pt1 s LYS 9 Ca 0.06 0.10 -0.08 0.00 -1.00 0.00 0.00 55.97 55.05 1pt1 s LYS 9 Cb -0.01 0.27 0.06 0.00 -2.06 0.00 0.00 37.83 36.09 1pt1 s LYS 9 CO -0.07 -0.14 0.18 -0.51 0.10 0.00 0.00 175.35 174.92 1pt1 s LEU 10 N -0.73 4.74 -0.26 2.77 1.43 0.29 -1.49 118.68 125.44 1pt1 s LEU 10 Ca -0.08 -1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 51.60 1pt1 s LEU 10 Cb -0.04 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1pt1 s LEU 10 CO 0.03 -0.43 0.17 0.00 0.23 0.00 0.00 176.35 176.35 1pt1 s ALA 11 N 1.42 3.55 -1.14 4.21 0.00 -0.08 -1.18 121.76 128.55 1pt1 s ALA 11 Ca 0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1pt1 s ALA 11 Cb -0.21 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1pt1 s ALA 11 CO 0.03 -0.38 0.34 0.54 0.00 0.00 0.00 175.76 176.29 1pt1 n ARG 12 N 4.70 -2.99 -1.97 0.00 5.12 -0.42 -1.70 116.66 119.39 1pt1 n ARG 12 Ca -0.15 0.66 -0.33 0.00 -1.93 0.00 0.00 57.85 56.11 1pt1 n ARG 12 Cb 0.52 -4.97 0.02 0.00 -1.16 0.00 0.00 32.46 26.87 1pt1 n ARG 12 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1pt1 s VAL 13 N -2.94 3.59 -0.12 1.55 -7.23 -0.87 -4.57 120.40 109.82 1pt1 s VAL 13 Ca 0.17 0.76 -0.04 0.00 -1.81 0.00 0.00 61.98 61.06 1pt1 s VAL 13 Cb -0.07 -3.29 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 1pt1 s VAL 13 CO 0.21 -0.43 0.04 -0.75 -0.31 0.00 0.00 175.10 173.86 1pt1 s LYS 14 N -4.02 3.36 0.12 4.82 2.20 -1.26 -1.09 119.74 123.87 1pt1 s LYS 14 Ca 0.65 -0.34 -0.31 0.00 -0.36 0.00 0.00 55.97 55.61 1pt1 s LYS 14 Cb -0.18 -2.99 -0.08 0.00 -1.51 0.00 0.00 37.83 33.07 1pt1 s LYS 14 CO 0.38 0.59 1.47 0.08 -0.36 0.00 0.00 175.35 177.51 1pt1 s VAL 15 N -0.54 3.09 -0.17 4.02 1.01 -0.52 -4.52 120.40 122.76 1pt1 s VAL 15 Ca 0.10 0.75 0.15 0.00 0.00 0.00 0.00 61.98 62.98 1pt1 s VAL 15 Cb -0.12 -3.48 -0.22 0.00 0.00 0.00 0.00 36.38 32.56 1pt1 s VAL 15 CO 0.02 0.05 0.40 0.35 0.00 0.00 0.00 175.10 175.92 1pt1 n THR 16 N 4.07 0.00 -3.67 3.92 -2.24 -0.08 -1.38 114.28 114.91 1pt1 n THR 16 Ca 0.13 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 1pt1 n THR 16 Cb 0.41 0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 68.89 1pt1 n THR 16 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1pt1 s HIS 17 N -2.92 -0.54 -0.14 4.78 2.46 -1.02 -4.92 115.29 112.98 1pt1 s HIS 17 Ca -0.03 1.19 -0.07 0.00 0.47 0.00 0.00 55.06 56.62 1pt1 s HIS 17 Cb 0.10 0.23 0.06 0.00 -0.13 0.00 0.00 32.58 32.83 1pt1 s HIS 17 CO 0.63 -0.37 0.31 0.00 -2.47 0.00 0.00 174.74 172.85 1pt1 s ALA 18 N -0.30 -0.76 -0.20 1.58 0.00 -1.26 -1.09 121.76 119.74 1pt1 s ALA 18 Ca -0.05 1.20 -0.04 0.00 0.00 0.00 0.00 51.96 53.08 1pt1 s ALA 18 Cb -0.03 -0.82 0.10 0.00 0.00 0.00 0.00 23.12 22.36 1pt1 s ALA 18 CO 0.03 -0.31 0.26 0.34 0.00 0.00 0.00 175.76 176.09 1pt1 s ASP 19 N 1.52 0.95 0.58 0.00 -1.08 -0.67 -4.98 116.67 113.00 1pt1 s ASP 19 Ca -0.08 0.02 0.30 0.00 -0.52 0.00 0.00 52.55 52.27 1pt1 s ASP 19 Cb -0.10 0.59 1.79 0.00 -1.46 0.00 0.00 42.92 43.74 1pt1 s ASP 19 CO -0.10 -0.31 2.23 -0.07 0.52 0.00 0.00 175.17 177.44 1pt1 h LEU 20 N 8.28 0.00 -0.11 -1.34 3.38 -1.85 -0.52 115.31 123.15 1pt1 h LEU 20 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1pt1 h LEU 20 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1pt1 h LEU 20 CO 0.25 0.03 -0.03 1.41 0.09 0.00 0.00 178.44 180.19 1pt1 n HIS 21 N -3.75 0.00 -1.88 1.13 8.25 -1.26 -4.34 115.22 113.37 1pt1 n HIS 21 Ca -0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.41 1pt1 n HIS 21 Cb 0.11 -0.17 0.01 0.00 1.12 0.00 0.00 29.99 31.06 1pt1 n HIS 21 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1pt1 n TYR 22 N -1.06 -3.56 0.39 4.41 4.02 -1.08 -4.93 117.16 115.36 1pt1 n TYR 22 Ca 0.17 -0.12 0.05 0.00 -0.01 0.00 0.00 57.90 57.98 1pt1 n TYR 22 Cb 0.22 -0.07 0.03 0.00 -0.02 0.00 0.00 39.34 39.51 1pt1 n TYR 22 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1pt1 n GLU 23 N -1.17 0.54 0.00 -0.72 -0.58 -1.26 -3.80 120.64 113.65 1pt1 n GLU 23 Ca 0.01 -1.00 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 1pt1 n GLU 23 Cb 0.05 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1pt1 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pt1 n GLY 24 N 0.57 0.42 3.74 0.62 0.00 -1.08 -4.93 105.19 104.53 1pt1 n GLY 24 Ca 0.05 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.42 1pt1 n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pt1 s SER 25 N 0.00 -0.02 -0.18 1.61 1.04 -0.79 -4.85 113.70 110.51 1pt1 s SER 25 Ca 0.00 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1pt1 s SER 25 Cb 0.00 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.28 1pt1 s SER 25 CO 0.00 -0.22 -0.08 0.00 0.98 0.00 0.00 173.24 173.93 1pt1 s ALA 27 N 1.53 3.40 -0.04 0.00 0.00 -0.35 -1.02 121.76 125.29 1pt1 s ALA 27 Ca -0.00 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1pt1 s ALA 27 Cb -0.16 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.13 1pt1 s ALA 27 CO -0.08 0.01 -0.03 0.42 0.00 0.00 0.00 175.76 176.08 1pt1 s ILE 28 N 0.39 0.39 -0.26 0.00 1.01 -0.22 -0.76 121.20 121.75 1pt1 s ILE 28 Ca 0.34 -0.04 -0.43 0.00 0.00 0.00 0.00 60.65 60.52 1pt1 s ILE 28 Cb -0.18 -0.44 -0.20 0.00 0.01 0.00 0.00 42.46 41.65 1pt1 s ILE 28 CO 0.17 0.19 1.38 -0.67 0.00 0.00 0.00 174.94 176.01 1pt1 n ASP 29 N 4.06 0.76 -0.14 3.58 -0.08 -0.70 -0.34 116.55 123.69 1pt1 n ASP 29 Ca -0.26 1.17 0.17 0.00 -1.51 0.00 0.00 54.79 54.36 1pt1 n ASP 29 Cb 0.51 -0.92 0.54 0.00 2.34 0.00 0.00 41.12 43.59 1pt1 n ASP 29 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1pt1 h GLN 30 N 4.23 0.33 -0.91 -0.67 5.75 -1.49 0.45 115.11 122.81 1pt1 h GLN 30 Ca -0.47 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.03 1pt1 h GLN 30 Cb 1.39 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.82 1pt1 h GLN 30 CO 0.83 0.22 0.60 -0.44 -2.65 0.00 0.00 178.83 177.39 1pt1 h ASP 31 N 0.34 1.01 -0.19 -0.69 3.32 -1.88 -0.07 116.42 118.26 1pt1 h ASP 31 Ca 0.36 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 1pt1 h ASP 31 Cb 0.91 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1pt1 h ASP 31 CO -0.10 0.71 -0.13 -0.26 -1.72 0.00 0.00 179.24 177.73 1pt1 h PHE 32 N 1.18 0.51 -0.39 4.55 0.04 -1.27 -2.08 116.94 119.47 1pt1 h PHE 32 Ca 0.35 -0.14 0.07 0.00 2.80 0.00 0.00 57.97 61.05 1pt1 h PHE 32 Cb -0.04 -0.11 -0.06 0.00 2.20 0.00 0.00 35.95 37.93 1pt1 h PHE 32 CO -0.00 0.76 0.03 -0.07 -0.60 0.00 0.00 178.31 178.43 1pt1 h LEU 33 N 0.11 -0.10 -0.45 1.54 3.38 -1.12 -2.13 115.31 116.55 1pt1 h LEU 33 Ca 0.04 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1pt1 h LEU 33 Cb 0.65 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1pt1 h LEU 33 CO 0.04 -0.02 0.15 0.44 0.09 0.00 0.00 178.44 179.14 1pt1 h ASP 34 N 0.14 0.15 -0.39 -0.43 3.32 -0.92 0.36 116.42 118.64 1pt1 h ASP 34 Ca 0.19 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1pt1 h ASP 34 Cb 0.26 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1pt1 h ASP 34 CO -0.30 0.12 0.10 0.00 -1.72 0.00 0.00 179.24 177.45 1pt1 h ALA 35 N 1.30 1.31 -0.01 3.45 0.00 -0.91 -2.73 119.26 121.67 1pt1 h ALA 35 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pt1 h ALA 35 Cb 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pt1 h ALA 35 CO -0.22 0.48 -0.25 0.00 0.00 0.00 0.00 179.25 179.26 1pt1 n ALA 36 N -2.47 3.08 -1.48 0.00 0.00 -0.84 -4.45 120.51 114.35 1pt1 n ALA 36 Ca 0.03 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 52.86 1pt1 n ALA 36 Cb 0.21 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 1pt1 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pt1 n GLY 37 N 1.34 1.00 3.79 0.00 0.00 -0.02 -4.09 105.19 107.21 1pt1 n GLY 37 Ca 0.13 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 1pt1 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pt1 s ILE 38 N -2.44 4.92 0.10 -0.61 1.01 -0.37 -4.97 121.20 118.84 1pt1 s ILE 38 Ca 0.00 1.09 0.01 0.00 0.00 0.00 0.00 60.65 61.76 1pt1 s ILE 38 Cb 0.00 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1pt1 s ILE 38 CO 0.00 0.49 0.21 -0.76 0.00 0.00 0.00 174.94 174.89 1pt1 s LEU 39 N -0.61 4.25 0.20 2.97 1.43 -1.26 -4.45 118.68 121.21 1pt1 s LEU 39 Ca 0.28 0.18 -0.32 0.00 -1.03 0.00 0.00 54.13 53.23 1pt1 s LEU 39 Cb -0.18 -2.85 -0.14 0.00 0.03 0.00 0.00 46.19 43.05 1pt1 s LEU 39 CO 0.16 0.13 1.39 1.21 0.23 0.00 0.00 176.35 179.47 1pt1 n GLU 40 N -0.00 1.84 -0.97 1.70 2.13 -1.26 -1.80 120.64 122.28 1pt1 n GLU 40 Ca -0.06 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1pt1 n GLU 40 Cb 0.52 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.92 1pt1 n GLU 40 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1pt1 n ASN 41 N 2.39 -2.23 -4.75 4.31 3.02 0.12 -5.01 115.26 113.12 1pt1 n ASN 41 Ca 0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.28 1pt1 n ASN 41 Cb 0.29 -0.84 -0.05 0.00 -0.61 0.00 0.00 39.78 38.57 1pt1 n ASN 41 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1pt1 s GLU 42 N -0.30 4.79 0.33 3.52 2.12 -0.75 -4.74 118.70 123.67 1pt1 s GLU 42 Ca 0.00 1.53 -0.29 0.00 0.36 0.00 0.00 54.97 56.57 1pt1 s GLU 42 Cb 0.00 -3.29 -0.12 0.00 0.26 0.00 0.00 34.13 30.99 1pt1 s GLU 42 CO 0.00 0.41 1.49 0.00 -0.54 0.00 0.00 175.26 176.62 1pt1 n ALA 43 N 1.72 2.16 -2.76 6.30 0.00 -1.26 -1.28 120.51 125.38 1pt1 n ALA 43 Ca -0.01 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.68 1pt1 n ALA 43 Cb 0.47 -2.40 -0.11 0.00 0.00 0.00 0.00 19.45 17.41 1pt1 n ALA 43 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1pt1 s ILE 44 N -0.62 0.40 -0.07 0.00 -4.36 -0.52 -4.60 121.20 111.43 1pt1 s ILE 44 Ca 0.59 -1.18 -0.06 0.00 -0.26 0.00 0.00 60.65 59.73 1pt1 s ILE 44 Cb -0.51 -0.69 -0.04 0.00 1.25 0.00 0.00 42.46 42.46 1pt1 s ILE 44 CO 0.57 -0.52 0.18 -1.81 0.24 0.00 0.00 174.94 173.60 1pt1 s ASP 45 N -1.81 6.42 -0.13 4.36 1.01 0.18 -0.91 116.67 125.79 1pt1 s ASP 45 Ca -0.08 0.48 0.02 0.00 0.71 0.00 0.00 52.55 53.68 1pt1 s ASP 45 Cb -0.07 -2.07 0.01 0.00 1.01 0.00 0.00 42.92 41.81 1pt1 s ASP 45 CO -0.01 0.35 -0.18 -0.63 0.21 0.00 0.00 175.17 174.91 1pt1 s ILE 46 N -1.13 1.76 -0.24 0.77 1.01 0.55 -1.00 121.20 122.91 1pt1 s ILE 46 Ca 0.20 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1pt1 s ILE 46 Cb -0.13 -1.59 0.04 0.00 0.01 0.00 0.00 42.46 40.80 1pt1 s ILE 46 CO 0.09 0.49 -0.10 0.26 0.00 0.00 0.00 174.94 175.69 1pt1 s TRP 47 N 0.94 3.10 -0.48 3.97 0.51 -0.22 -1.37 118.94 125.40 1pt1 s TRP 47 Ca -0.06 -1.88 -0.22 0.00 -2.12 0.00 0.00 56.10 51.83 1pt1 s TRP 47 Cb -0.15 -1.99 0.03 0.00 -0.81 0.00 0.00 33.47 30.55 1pt1 s TRP 47 CO -0.02 -0.81 0.73 1.21 -0.51 0.00 0.00 176.95 177.55 1pt1 s ASN 48 N 1.23 6.33 0.30 2.95 3.84 0.07 -0.72 114.94 128.93 1pt1 s ASN 48 Ca -0.03 -0.41 0.06 0.00 0.21 0.00 0.00 52.86 52.70 1pt1 s ASN 48 Cb -0.17 -2.35 0.46 0.00 -0.55 0.00 0.00 41.25 38.64 1pt1 s ASN 48 CO -0.06 -0.92 1.71 0.58 -2.79 0.00 0.00 177.10 175.62 1pt1 h VAL 49 N 5.93 1.30 -0.12 -5.21 2.07 -1.14 0.18 116.25 119.25 1pt1 h VAL 49 Ca -0.26 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 65.75 1pt1 h VAL 49 Cb 1.09 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1pt1 h VAL 49 CO 0.96 0.44 -0.11 0.74 0.02 0.00 0.00 177.57 179.62 1pt1 h THR 50 N 0.22 1.35 -0.03 2.57 2.02 -1.89 -3.37 112.91 113.79 1pt1 h THR 50 Ca 0.02 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.94 1pt1 h THR 50 Cb 0.78 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1pt1 h THR 50 CO 0.06 0.36 0.00 -0.46 0.37 0.00 0.00 175.52 175.85 1pt1 n ASN 51 N -4.61 1.56 0.00 4.18 0.23 -1.22 -5.01 115.26 110.38 1pt1 n ASN 51 Ca -0.06 -1.33 0.00 0.00 -0.53 0.00 0.00 54.58 52.66 1pt1 n ASN 51 Cb 0.34 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 1pt1 n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pt1 n GLY 52 N 0.21 1.61 3.77 4.83 0.00 0.64 -5.01 105.19 111.24 1pt1 n GLY 52 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1pt1 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pt1 s LYS 53 N -0.09 3.65 -0.05 1.61 1.02 -1.25 -4.73 119.74 119.91 1pt1 s LYS 53 Ca 0.00 1.76 0.01 0.00 0.02 0.00 0.00 55.97 57.76 1pt1 s LYS 53 Cb 0.00 -2.32 0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1pt1 s LYS 53 CO 0.00 -0.64 -0.04 1.03 -0.92 0.00 0.00 175.35 174.78 1pt1 s ARG 54 N -2.82 0.80 0.15 1.68 0.52 -1.26 -0.75 118.95 117.26 1pt1 s ARG 54 Ca 0.66 -0.08 -0.11 0.00 -0.52 0.00 0.00 55.73 55.67 1pt1 s ARG 54 Cb -0.28 -0.84 0.00 0.00 0.52 0.00 0.00 34.95 34.35 1pt1 s ARG 54 CO 0.34 -0.10 0.31 -0.59 0.02 0.00 0.00 175.30 175.27 1pt1 s PHE 55 N 1.00 0.20 -0.01 -0.53 -0.71 -0.47 -5.01 117.98 112.46 1pt1 s PHE 55 Ca -0.10 -0.58 0.08 0.00 -1.04 0.00 0.00 56.93 55.29 1pt1 s PHE 55 Cb -0.14 0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.69 1pt1 s PHE 55 CO -0.00 -0.71 -0.24 -1.12 -1.34 0.00 0.00 175.22 171.81 1pt1 s SER 56 N -2.91 2.84 0.00 1.98 0.01 -1.26 -0.33 113.70 114.02 1pt1 s SER 56 Ca 0.12 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1pt1 s SER 56 Cb 0.03 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1pt1 s SER 56 CO -0.04 0.28 0.00 1.07 0.41 0.00 0.00 173.24 174.96 1pt1 n THR 57 N 2.35 0.00 -4.07 1.44 5.66 -0.09 -5.01 114.28 114.57 1pt1 n THR 57 Ca -0.16 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.77 1pt1 n THR 57 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 1pt1 n THR 57 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1pt1 s TYR 58 N -0.29 0.47 0.08 1.09 1.13 -1.26 -1.44 117.35 117.13 1pt1 s TYR 58 Ca 0.00 -0.97 -0.18 0.00 -1.41 0.00 0.00 57.07 54.50 1pt1 s TYR 58 Cb 0.00 -0.35 -0.07 0.00 -1.10 0.00 0.00 41.96 40.44 1pt1 s TYR 58 CO 0.00 -0.35 0.55 0.00 -2.51 0.00 0.00 175.55 173.24 1pt1 s ALA 59 N -3.52 3.60 0.14 9.51 0.00 -0.40 -1.22 121.76 129.87 1pt1 s ALA 59 Ca 0.03 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.04 1pt1 s ALA 59 Cb 0.05 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 1pt1 s ALA 59 CO -0.09 0.41 -0.13 0.96 0.00 0.00 0.00 175.76 176.92 1pt1 s ILE 60 N -1.16 1.33 0.13 0.00 -4.36 -0.18 0.15 121.20 117.11 1pt1 s ILE 60 Ca 0.30 -1.84 -0.29 0.00 -0.26 0.00 0.00 60.65 58.55 1pt1 s ILE 60 Cb -0.19 -1.65 -0.06 0.00 1.25 0.00 0.00 42.46 41.81 1pt1 s ILE 60 CO 0.19 -0.51 0.92 0.00 0.24 0.00 0.00 174.94 175.78 1pt1 s ALA 61 N -2.49 3.29 0.32 2.27 0.00 -1.26 -1.06 121.76 122.84 1pt1 s ALA 61 Ca 0.12 0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.68 1pt1 s ALA 61 Cb -0.03 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1pt1 s ALA 61 CO 0.03 0.04 0.42 0.00 0.00 0.00 0.00 175.76 176.26 1pt1 s ALA 62 N -0.28 4.13 0.17 0.00 0.00 0.54 -4.67 121.76 121.65 1pt1 s ALA 62 Ca 0.44 -1.47 -0.33 0.00 0.00 0.00 0.00 51.96 50.60 1pt1 s ALA 62 Cb -0.23 -1.59 -0.15 0.00 0.00 0.00 0.00 23.12 21.14 1pt1 s ALA 62 CO 0.29 0.01 1.33 -1.91 0.00 0.00 0.00 175.76 175.48 1pt1 n GLU 63 N -1.56 1.55 -1.66 0.00 2.13 -1.26 -1.64 120.64 118.20 1pt1 n GLU 63 Ca -0.01 0.55 -0.48 0.00 0.66 0.00 0.00 57.16 57.88 1pt1 n GLU 63 Cb 0.58 -2.17 -0.05 0.00 0.27 0.00 0.00 31.44 30.08 1pt1 n GLU 63 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1pt1 n ARG 64 N 2.24 1.91 -0.53 5.31 0.63 -1.26 -1.72 116.66 123.24 1pt1 n ARG 64 Ca 0.15 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 1pt1 n ARG 64 Cb 0.26 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 30.72 1pt1 n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pt1 n GLY 65 N 3.44 0.94 0.20 5.14 0.00 -1.26 -4.91 105.19 108.74 1pt1 n GLY 65 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1pt1 n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pt1 h SER 66 N 0.00 0.00 -3.43 1.61 4.64 -1.69 -3.47 113.55 111.21 1pt1 h SER 66 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1pt1 h SER 66 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1pt1 h SER 66 CO 0.00 0.20 -0.41 0.54 -0.87 0.00 0.00 176.83 176.29 1pt1 n ARG 67 N -3.17 -1.98 -2.56 4.77 1.74 -1.26 -4.96 116.66 109.23 1pt1 n ARG 67 Ca 0.03 0.78 -0.41 0.00 -0.77 0.00 0.00 57.85 57.47 1pt1 n ARG 67 Cb 0.58 -5.40 -0.04 0.00 -1.02 0.00 0.00 32.46 26.58 1pt1 n ARG 67 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pt1 s ILE 68 N -2.78 4.01 -0.32 0.55 1.01 -1.26 -4.87 121.20 117.54 1pt1 s ILE 68 Ca 0.00 1.71 0.01 0.00 0.00 0.00 0.00 60.65 62.38 1pt1 s ILE 68 Cb 0.00 -4.09 0.10 0.00 0.01 0.00 0.00 42.46 38.47 1pt1 s ILE 68 CO 0.00 0.28 0.07 -0.63 0.00 0.00 0.00 174.94 174.67 1pt1 s ILE 69 N -0.15 1.45 -0.25 2.92 -1.09 -1.25 -1.72 121.20 121.12 1pt1 s ILE 69 Ca 0.49 -1.77 -0.04 0.00 -2.23 0.00 0.00 60.65 57.11 1pt1 s ILE 69 Cb -0.28 -2.07 0.01 0.00 -1.58 0.00 0.00 42.46 38.54 1pt1 s ILE 69 CO 0.33 -0.63 -0.02 -0.55 -1.23 0.00 0.00 174.94 172.85 1pt1 s SER 70 N 1.33 4.50 -0.42 3.58 0.15 0.06 -0.90 113.70 122.00 1pt1 s SER 70 Ca 0.10 -0.67 -0.22 0.00 0.70 0.00 0.00 55.95 55.86 1pt1 s SER 70 Cb -0.18 -1.74 0.02 0.00 -1.71 0.00 0.00 66.02 62.41 1pt1 s SER 70 CO -0.18 -0.11 0.74 -0.69 1.20 0.00 0.00 173.24 174.21 1pt1 s VAL 71 N 1.42 4.72 -0.19 4.45 1.01 -0.25 -1.20 120.40 130.36 1pt1 s VAL 71 Ca 0.03 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 1pt1 s VAL 71 Cb -0.16 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1pt1 s VAL 71 CO -0.02 -0.61 -0.01 0.20 0.00 0.00 0.00 175.10 174.66 1pt1 s ASN 72 N 2.03 4.81 0.00 3.32 0.02 -0.03 -1.67 114.94 123.42 1pt1 s ASN 72 Ca 0.28 -0.19 0.00 0.00 -1.02 0.00 0.00 52.86 51.93 1pt1 s ASN 72 Cb -0.13 -1.81 0.00 0.00 0.02 0.00 0.00 41.25 39.33 1pt1 s ASN 72 CO 0.20 0.09 0.00 0.61 0.02 0.00 0.00 177.10 178.02 1pt1 n GLY 73 N 4.08 0.27 0.34 0.66 0.00 -0.22 -1.88 105.19 108.44 1pt1 n GLY 73 Ca -0.17 -1.57 0.17 0.00 0.00 0.00 0.00 46.02 44.45 1pt1 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pt1 h ALA 74 N 0.00 2.23 0.00 4.61 0.00 -1.83 -1.48 119.26 122.80 1pt1 h ALA 74 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pt1 h ALA 74 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1pt1 h ALA 74 CO 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.82 1pt1 h ALA 75 N 1.79 1.00 0.00 0.00 0.00 -1.92 -1.62 119.26 118.51 1pt1 h ALA 75 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1pt1 h ALA 75 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1pt1 h ALA 75 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1pt1 h ALA 76 N 2.06 1.00 0.00 0.00 0.00 -1.48 0.19 119.26 121.03 1pt1 h ALA 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pt1 h ALA 76 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pt1 h ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.70 1pt1 h HIS 77 N 0.00 0.00 0.00 0.00 3.86 -1.51 -3.33 115.15 114.18 1pt1 h HIS 77 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pt1 h HIS 77 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1pt1 h HIS 77 CO 0.00 0.00 -0.53 0.00 0.86 0.00 0.00 177.93 178.26 1pt1 s ALA 79 N -1.92 -1.03 0.24 0.00 0.00 -1.05 -4.78 121.76 113.21 1pt1 s ALA 79 Ca 0.03 0.94 0.10 0.00 0.00 0.00 0.00 51.96 53.02 1pt1 s ALA 79 Cb 0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 1pt1 s ALA 79 CO 0.36 -0.23 -0.16 -1.12 0.00 0.00 0.00 175.76 174.61 1pt1 s SER 80 N -0.39 3.04 0.12 0.00 0.01 -1.26 -4.59 113.70 110.63 1pt1 s SER 80 Ca -0.05 -1.03 -0.34 0.00 1.31 0.00 0.00 55.95 55.83 1pt1 s SER 80 Cb -0.03 -0.21 -0.14 0.00 0.21 0.00 0.00 66.02 65.84 1pt1 s SER 80 CO 0.03 -0.09 1.59 0.52 0.41 0.00 0.00 173.24 175.69 1pt1 n VAL 81 N -0.50 0.06 0.00 3.43 0.31 -1.26 -1.48 118.33 118.89 1pt1 n VAL 81 Ca -0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1pt1 n VAL 81 Cb 0.60 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 1pt1 n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pt1 n GLY 82 N 3.43 3.26 3.77 2.92 0.00 -0.48 -5.00 105.19 113.10 1pt1 n GLY 82 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1pt1 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pt1 s ASP 83 N -1.12 6.48 -0.17 1.61 1.01 -0.55 -4.73 116.67 119.21 1pt1 s ASP 83 Ca 0.00 2.52 -0.19 0.00 0.71 0.00 0.00 52.55 55.59 1pt1 s ASP 83 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1pt1 s ASP 83 CO 0.00 -0.72 0.52 -0.63 0.21 0.00 0.00 175.17 174.55 1pt1 s ILE 84 N -1.30 5.12 0.14 0.77 -1.09 -1.26 -1.44 121.20 122.14 1pt1 s ILE 84 Ca 0.55 0.98 0.04 0.00 -2.23 0.00 0.00 60.65 60.00 1pt1 s ILE 84 Cb -0.35 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 1pt1 s ILE 84 CO 0.45 0.22 -0.10 0.68 -1.23 0.00 0.00 174.94 174.96 1pt1 s VAL 85 N 1.33 1.11 -0.14 2.92 -7.23 -0.25 -0.56 120.40 117.58 1pt1 s VAL 85 Ca 0.25 -2.05 -0.02 0.00 -1.81 0.00 0.00 61.98 58.36 1pt1 s VAL 85 Cb -0.15 -1.83 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 1pt1 s VAL 85 CO 0.10 -0.76 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.41 1pt1 s ILE 86 N -3.36 3.40 -0.18 -0.62 1.01 0.10 -1.31 121.20 120.24 1pt1 s ILE 86 Ca 0.16 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 1pt1 s ILE 86 Cb 0.03 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 1pt1 s ILE 86 CO -0.00 0.51 -0.10 -0.63 0.00 0.00 0.00 174.94 174.72 1pt1 s ILE 87 N 0.37 3.01 0.05 2.92 1.01 -0.32 -1.05 121.20 127.18 1pt1 s ILE 87 Ca -0.08 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 59.99 1pt1 s ILE 87 Cb -0.15 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 1pt1 s ILE 87 CO 0.04 0.48 -0.17 0.00 0.00 0.00 0.00 174.94 175.29 1pt1 s ALA 88 N 1.06 1.43 0.16 9.38 0.00 -0.17 -0.55 121.76 133.07 1pt1 s ALA 88 Ca -0.00 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.11 1pt1 s ALA 88 Cb -0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1pt1 s ALA 88 CO -0.02 0.29 -0.24 -1.54 0.00 0.00 0.00 175.76 174.25 1pt1 s SER 89 N -1.24 3.17 0.02 0.00 1.04 -0.71 -0.65 113.70 115.33 1pt1 s SER 89 Ca 0.04 -0.81 0.06 0.00 0.48 0.00 0.00 55.95 55.72 1pt1 s SER 89 Cb -0.08 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.80 1pt1 s SER 89 CO 0.02 0.10 -0.19 -0.36 0.98 0.00 0.00 173.24 173.79 1pt1 s PHE 90 N -1.50 1.71 0.21 5.02 0.40 -1.26 -0.41 117.98 122.15 1pt1 s PHE 90 Ca 0.16 -0.35 0.07 0.00 -0.60 0.00 0.00 56.93 56.21 1pt1 s PHE 90 Cb -0.08 -1.05 -0.05 0.00 0.51 0.00 0.00 43.02 42.35 1pt1 s PHE 90 CO 0.08 0.04 -0.11 0.14 0.70 0.00 0.00 175.22 176.06 1pt1 s VAL 91 N -0.67 1.56 0.09 -0.44 -7.23 -0.23 -4.82 120.40 108.66 1pt1 s VAL 91 Ca 0.07 -2.16 0.06 0.00 -1.81 0.00 0.00 61.98 58.14 1pt1 s VAL 91 Cb -0.08 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1pt1 s VAL 91 CO 0.01 -0.57 -0.07 0.42 -0.31 0.00 0.00 175.10 174.58 1pt1 s THR 92 N -3.08 3.58 0.05 5.32 -4.23 -1.26 -0.50 115.64 115.52 1pt1 s THR 92 Ca 0.23 -1.13 -0.27 0.00 -1.18 0.00 0.00 61.69 59.34 1pt1 s THR 92 Cb 0.01 -2.67 0.09 0.00 1.34 0.00 0.00 72.50 71.27 1pt1 s THR 92 CO 0.06 0.15 0.83 0.00 -0.54 0.00 0.00 174.62 175.13 1pt1 s MET 93 N -2.13 0.97 0.87 3.99 0.23 -0.70 -4.98 119.30 117.55 1pt1 s MET 93 Ca 0.22 -0.38 -0.10 0.00 -1.03 0.00 0.00 55.69 54.40 1pt1 s MET 93 Cb -0.11 0.43 0.12 0.00 -1.53 0.00 0.00 34.83 33.73 1pt1 s MET 93 CO 0.14 -0.42 1.11 -2.14 -2.03 0.00 0.00 175.02 171.68 1pt1 s PRO 94 N -3.28 1.42 0.19 3.16 0.02 -1.26 -0.53 135.00 134.72 1pt1 s PRO 94 Ca 0.05 1.31 -0.12 0.00 0.02 0.00 0.00 61.00 62.25 1pt1 s PRO 94 Cb -0.01 -1.79 0.13 0.00 0.02 0.00 0.00 34.50 32.85 1pt1 s PRO 94 CO -0.09 -2.27 1.81 0.22 -0.33 0.00 0.00 177.00 176.35 1pt1 h ASP 95 N -1.59 0.51 -0.57 2.53 3.58 -1.93 -0.97 116.42 117.98 1pt1 h ASP 95 Ca -0.45 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.00 1pt1 h ASP 95 Cb 1.26 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 42.19 1pt1 h ASP 95 CO 0.47 0.36 0.30 -0.08 -2.88 0.00 0.00 179.24 177.41 1pt1 h GLU 96 N 0.64 0.79 -0.75 0.28 4.81 -1.92 -1.07 114.58 117.36 1pt1 h GLU 96 Ca 0.23 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1pt1 h GLU 96 Cb 0.06 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1pt1 h GLU 96 CO -0.12 0.61 0.24 1.49 -0.73 0.00 0.00 179.01 180.51 1pt1 h GLU 97 N 0.76 1.16 -0.31 1.92 4.81 -1.87 -2.72 114.58 118.33 1pt1 h GLU 97 Ca 0.20 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1pt1 h GLU 97 Cb 0.06 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1pt1 h GLU 97 CO -0.03 0.98 0.09 0.00 -0.73 0.00 0.00 179.01 179.32 1pt1 h ALA 98 N 1.15 1.58 0.00 2.92 0.00 -0.56 -2.50 119.26 121.85 1pt1 h ALA 98 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1pt1 h ALA 98 Cb 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pt1 h ALA 98 CO -0.01 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1pt1 h ARG 99 N 0.44 0.00 0.00 0.00 3.08 -0.88 -2.72 114.38 114.30 1pt1 h ARG 99 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1pt1 h ARG 99 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1pt1 h ARG 99 CO -0.01 0.00 -0.01 0.25 -1.07 0.00 0.00 179.97 179.13 1pt1 n THR 100 N -2.82 1.61 -2.35 2.04 -2.24 -1.07 -5.07 114.28 104.38 1pt1 n THR 100 Ca 0.01 -1.89 -0.41 0.00 -2.27 0.00 0.00 64.05 59.49 1pt1 n THR 100 Cb 0.28 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 1pt1 n THR 100 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1pt1 s TRP 101 N -2.34 3.40 -0.24 4.78 -0.11 -0.96 -5.03 118.94 118.44 1pt1 s TRP 101 Ca 0.23 1.56 0.02 0.00 1.22 0.00 0.00 56.10 59.14 1pt1 s TRP 101 Cb 0.20 -3.42 0.04 0.00 -1.50 0.00 0.00 33.47 28.80 1pt1 s TRP 101 CO 0.02 -1.04 -0.13 -0.98 -4.62 0.00 0.00 176.95 170.20 1pt1 s ARG 102 N -1.30 2.52 0.61 5.86 1.04 -1.26 -5.06 118.95 121.36 1pt1 s ARG 102 Ca 0.47 -1.16 -0.17 0.00 -1.04 0.00 0.00 55.73 53.83 1pt1 s ARG 102 Cb -0.34 -2.82 -0.03 0.00 -2.04 0.00 0.00 34.95 29.72 1pt1 s ARG 102 CO 0.43 -0.45 1.14 -2.14 -0.04 0.00 0.00 175.30 174.25 1pt1 s PRO 103 N 1.18 3.00 -0.33 3.89 0.02 -1.26 -4.99 135.00 136.50 1pt1 s PRO 103 Ca -0.04 1.60 -0.23 0.00 0.02 0.00 0.00 61.00 62.34 1pt1 s PRO 103 Cb -0.18 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1pt1 s PRO 103 CO -0.07 -1.13 0.78 -0.80 -0.33 0.00 0.00 177.00 175.45 1pt1 s ASN 104 N -2.02 6.61 -0.07 2.53 0.01 -0.21 -4.93 114.94 116.87 1pt1 s ASN 104 Ca 0.72 0.53 0.04 0.00 -0.71 0.00 0.00 52.86 53.44 1pt1 s ASN 104 Cb -0.24 -2.40 -0.00 0.00 0.41 0.00 0.00 41.25 39.01 1pt1 s ASN 104 CO 0.34 -0.66 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.39 1pt1 s VAL 105 N 3.02 1.65 -0.06 1.60 1.01 -1.26 -1.02 120.40 125.33 1pt1 s VAL 105 Ca 0.32 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1pt1 s VAL 105 Cb -0.14 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.83 1pt1 s VAL 105 CO 0.14 0.47 -0.14 0.00 0.00 0.00 0.00 175.10 175.57 1pt1 s ALA 106 N 0.21 1.38 0.05 5.51 0.00 -0.56 -4.95 121.76 123.40 1pt1 s ALA 106 Ca -0.10 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1pt1 s ALA 106 Cb -0.15 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1pt1 s ALA 106 CO 0.05 0.17 0.04 0.71 0.00 0.00 0.00 175.76 176.73 1pt1 s TYR 107 N 0.46 3.13 0.14 0.00 2.02 -1.13 -0.90 117.35 121.07 1pt1 s TYR 107 Ca -0.12 0.07 0.08 0.00 -0.37 0.00 0.00 57.07 56.73 1pt1 s TYR 107 Cb -0.15 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 1pt1 s TYR 107 CO 0.04 0.50 -0.18 -0.06 -1.57 0.00 0.00 175.55 174.28 1pt1 s PHE 108 N -1.28 1.70 0.26 2.71 0.40 -0.69 -0.60 117.98 120.48 1pt1 s PHE 108 Ca 0.25 -0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 55.99 1pt1 s PHE 108 Cb -0.12 -0.87 -0.01 0.00 0.51 0.00 0.00 43.02 42.53 1pt1 s PHE 108 CO 0.17 0.26 0.46 -1.83 0.70 0.00 0.00 175.22 174.98 1pt1 s GLU 109 N -2.59 1.58 6.43 0.44 -1.05 -0.70 -4.79 118.70 118.02 1pt1 s GLU 109 Ca 0.12 -1.34 0.00 0.00 -0.15 0.00 0.00 54.97 53.60 1pt1 s GLU 109 Cb -0.06 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 1pt1 s GLU 109 CO 0.05 -0.65 0.00 0.41 0.95 0.00 0.00 175.26 176.02 1pt1 n GLY 110 N -0.40 3.29 2.33 -3.83 0.00 -1.26 -0.87 105.19 104.45 1pt1 n GLY 110 Ca -0.01 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1pt1 n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pt1 n ASP 111 N 3.42 8.07 -4.09 1.61 2.03 -1.26 -4.55 116.55 121.78 1pt1 n ASP 111 Ca 0.00 -2.76 -0.29 0.00 0.52 0.00 0.00 54.79 52.26 1pt1 n ASP 111 Cb 0.00 -1.47 -0.03 0.00 -0.72 0.00 0.00 41.12 38.90 1pt1 n ASP 111 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pt1 n ASN 112 N 2.79 -0.99 -4.67 1.67 3.02 -1.12 -4.93 115.26 111.02 1pt1 n ASN 112 Ca 0.69 -1.05 -0.41 0.00 -0.03 0.00 0.00 54.58 53.78 1pt1 n ASN 112 Cb 0.33 -2.76 -0.04 0.00 -0.61 0.00 0.00 39.78 36.70 1pt1 n ASN 112 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1pt1 s GLU 113 N -6.78 4.31 0.17 3.52 2.56 -0.05 -4.91 118.70 117.52 1pt1 s GLU 113 Ca 0.22 1.02 -0.30 0.00 0.00 0.00 0.00 54.97 55.91 1pt1 s GLU 113 Cb -0.12 -3.57 -0.07 0.00 2.00 0.00 0.00 34.13 32.37 1pt1 s GLU 113 CO 0.92 -0.31 0.96 1.41 -0.56 0.00 0.00 175.26 177.68 1pt1 s MET 114 N 2.08 4.76 0.00 4.30 -2.45 -1.26 -1.72 119.30 125.01 1pt1 s MET 114 Ca 0.39 1.48 0.18 0.00 -1.25 0.00 0.00 55.69 56.49 1pt1 s MET 114 Cb -0.17 -3.33 0.14 0.00 1.25 0.00 0.00 34.83 32.72 1pt1 s MET 114 CO 0.13 0.33 1.07 1.63 1.05 0.00 0.00 175.02 179.24