#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4o n GLY -1 N 0.00 1.45 0.10 5.14 0.00 -1.26 -3.16 105.19 107.46 2c4o n GLY -1 Ca 0.00 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 2c4o n GLY -1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c4o n SER 0 N 9.18 0.93 -0.12 1.61 7.64 -1.26 -3.62 113.62 127.97 2c4o n SER 0 Ca 0.00 0.14 -0.11 0.00 1.01 0.00 0.00 58.87 59.91 2c4o n SER 0 Cb 0.00 0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 2c4o n SER 0 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2c4o h MET 1 N 0.01 0.67 0.02 1.43 -1.53 -1.91 -2.54 114.93 111.08 2c4o h MET 1 Ca -0.45 -0.25 -0.27 0.00 -3.44 0.00 0.00 59.70 55.29 2c4o h MET 1 Cb 2.08 -0.04 0.02 0.00 -0.55 0.00 0.00 31.60 33.12 2c4o h MET 1 CO 0.03 0.83 -1.07 0.00 0.14 0.00 0.00 176.91 176.84 2c4o h ALA 2 N 0.82 0.13 -0.93 0.39 0.00 -1.68 -2.51 119.26 115.47 2c4o h ALA 2 Ca 0.09 -0.71 0.06 0.00 0.00 0.00 0.00 54.91 54.35 2c4o h ALA 2 Cb 0.58 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2c4o h ALA 2 CO 0.03 0.70 0.59 1.25 0.00 0.00 0.00 179.25 181.83 2c4o h LEU 3 N 0.36 0.95 -0.61 0.00 5.85 -1.62 0.66 115.31 120.90 2c4o h LEU 3 Ca -0.13 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.45 2c4o h LEU 3 Cb 1.72 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 2c4o h LEU 3 CO 0.21 0.61 -0.55 0.50 -0.34 0.00 0.00 178.44 178.86 2c4o h LYS 4 N 1.09 0.40 -0.18 1.25 3.64 -1.49 -2.92 116.57 118.36 2c4o h LYS 4 Ca 0.40 -0.26 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 2c4o h LYS 4 Cb 0.14 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2c4o h LYS 4 CO -0.17 0.85 -0.47 -0.09 -2.27 0.00 0.00 179.45 177.31 2c4o h ARG 5 N 0.31 0.47 0.44 1.90 1.12 -0.61 -2.78 114.38 115.23 2c4o h ARG 5 Ca 0.00 -0.26 -0.02 0.00 -1.11 0.00 0.00 59.98 58.59 2c4o h ARG 5 Cb 1.07 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.05 2c4o h ARG 5 CO 0.10 0.84 -0.21 0.82 -3.11 0.00 0.00 179.97 178.40 2c4o h ILE 6 N 0.38 0.00 0.00 1.20 2.04 0.39 -2.39 117.51 119.13 2c4o h ILE 6 Ca 0.02 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2c4o h ILE 6 Cb 0.97 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2c4o h ILE 6 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.23 2c4o n HIS 7 N -4.03 0.00 -0.09 1.37 1.44 -1.11 -1.36 115.22 111.45 2c4o n HIS 7 Ca -0.07 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.47 2c4o n HIS 7 Cb 0.24 -0.05 -0.13 0.00 0.12 0.00 0.00 29.99 30.17 2c4o n HIS 7 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2c4o n LYS 8 N -0.16 0.68 0.08 -1.40 4.76 -1.05 -3.22 118.16 117.86 2c4o n LYS 8 Ca 0.00 0.16 -0.09 0.00 -2.87 0.00 0.00 58.31 55.51 2c4o n LYS 8 Cb 0.12 -1.58 0.01 0.00 -1.84 0.00 0.00 35.03 31.73 2c4o n LYS 8 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2c4o h GLU 9 N 0.02 0.26 -0.62 1.97 5.08 -0.69 -2.65 114.58 117.95 2c4o h GLU 9 Ca -0.52 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 57.53 2c4o h GLU 9 Cb 2.00 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 31.29 2c4o h GLU 9 CO -0.02 0.96 0.17 1.25 -1.00 0.00 0.00 179.01 180.37 2c4o h LEU 10 N 0.15 0.92 -0.64 1.33 5.85 -1.45 0.40 115.31 121.89 2c4o h LEU 10 Ca -0.04 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 2c4o h LEU 10 Cb 1.45 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 2c4o h LEU 10 CO 0.13 0.90 0.31 0.78 -0.34 0.00 0.00 178.44 180.23 2c4o h ASN 11 N 0.89 0.82 0.03 1.25 2.35 -1.50 0.58 115.58 120.01 2c4o h ASN 11 Ca 0.20 -0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 2c4o h ASN 11 Cb 0.33 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2c4o h ASN 11 CO -0.00 0.72 -0.57 0.44 -1.65 0.00 0.00 177.43 176.37 2c4o h ASP 12 N 0.87 0.63 -0.33 5.81 3.32 -1.13 -1.50 116.42 124.09 2c4o h ASP 12 Ca 0.22 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 2c4o h ASP 12 Cb 0.10 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2c4o h ASP 12 CO -0.03 1.06 -0.13 0.25 -1.72 0.00 0.00 179.24 178.67 2c4o h LEU 13 N 0.43 0.76 -0.11 1.55 7.12 0.14 -2.45 115.31 122.74 2c4o h LEU 13 Ca 0.00 -0.24 -0.24 0.00 0.13 0.00 0.00 57.88 57.54 2c4o h LEU 13 Cb 1.12 -0.21 0.01 0.00 -0.53 0.00 0.00 40.66 41.05 2c4o h LEU 13 CO 0.11 0.91 -0.94 0.00 -0.13 0.00 0.00 178.44 178.38 2c4o h ALA 14 N 1.16 0.27 -0.02 1.25 0.00 -0.79 -2.63 119.26 118.50 2c4o h ALA 14 Ca 0.11 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2c4o h ALA 14 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2c4o h ALA 14 CO 0.04 0.73 0.00 0.54 0.00 0.00 0.00 179.25 180.56 2c4o n ARG 15 N -3.83 1.12 -2.93 0.00 1.74 -0.57 -3.68 116.66 108.50 2c4o n ARG 15 Ca -0.09 -0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 56.69 2c4o n ARG 15 Cb 0.83 -1.37 0.04 0.00 -1.02 0.00 0.00 32.46 30.94 2c4o n ARG 15 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2c4o n ASP 16 N -0.67 -1.00 -4.51 0.55 2.03 -0.93 -5.06 116.55 106.96 2c4o n ASP 16 Ca 0.17 -3.40 -0.42 0.00 0.52 0.00 0.00 54.79 51.67 2c4o n ASP 16 Cb 0.12 0.84 -0.08 0.00 -0.72 0.00 0.00 41.12 41.29 2c4o n ASP 16 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2c4o n PRO 17 N 0.35 0.71 -1.99 -0.67 -0.04 -1.00 -4.77 135.00 127.59 2c4o n PRO 17 Ca 0.14 0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 63.28 2c4o n PRO 17 Cb 0.68 -2.55 -0.00 0.00 -0.04 0.00 0.00 33.50 31.59 2c4o n PRO 17 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2c4o s PRO 18 N 7.98 3.96 -0.39 0.54 0.04 -1.26 -4.83 135.00 141.04 2c4o s PRO 18 Ca 1.14 2.25 -0.44 0.00 0.04 0.00 0.00 61.00 63.98 2c4o s PRO 18 Cb -0.71 -2.79 -0.18 0.00 0.04 0.00 0.00 34.50 30.86 2c4o s PRO 18 CO 0.40 -0.53 1.65 0.00 0.04 0.00 0.00 177.00 178.56 2c4o n ALA 19 N 0.16 -0.91 -2.76 8.56 0.00 -1.26 -2.83 120.51 121.46 2c4o n ALA 19 Ca 0.03 0.45 -0.16 0.00 0.00 0.00 0.00 53.44 53.77 2c4o n ALA 19 Cb 0.43 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 2c4o n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c4o n GLN 20 N 4.52 -1.49 -4.98 0.00 10.64 -1.26 -4.85 117.38 119.96 2c4o n GLN 20 Ca 0.29 0.05 -0.32 0.00 -1.83 0.00 0.00 57.00 55.19 2c4o n GLN 20 Cb 0.02 -3.07 -0.16 0.00 -0.86 0.00 0.00 30.24 26.17 2c4o n GLN 20 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2c4o s SER 22 N 0.46 4.09 -0.25 0.00 0.15 0.74 -4.66 113.70 114.23 2c4o s SER 22 Ca -0.14 -0.20 -0.12 0.00 0.70 0.00 0.00 55.95 56.20 2c4o s SER 22 Cb -0.17 -0.87 0.09 0.00 -1.71 0.00 0.00 66.02 63.36 2c4o s SER 22 CO 0.06 0.34 0.58 0.00 1.20 0.00 0.00 173.24 175.42 2c4o s ALA 23 N -0.77 -1.65 -0.11 5.45 0.00 -1.26 -0.45 121.76 122.98 2c4o s ALA 23 Ca 0.12 2.08 -0.33 0.00 0.00 0.00 0.00 51.96 53.83 2c4o s ALA 23 Cb -0.11 -1.41 0.13 0.00 0.00 0.00 0.00 23.12 21.74 2c4o s ALA 23 CO 0.01 -0.57 1.29 0.20 0.00 0.00 0.00 175.76 176.70 2c4o s GLY 24 N 2.10 -0.36 0.21 0.00 0.00 -0.51 -4.98 107.32 103.78 2c4o s GLY 24 Ca -0.07 1.15 -0.31 0.00 0.00 0.00 0.00 44.72 45.49 2c4o s GLY 24 CO -0.17 0.32 1.54 2.56 0.00 0.00 0.00 173.10 177.35 2c4o s PRO 25 N -2.33 4.21 -1.11 2.90 0.04 -1.26 -0.12 135.00 137.33 2c4o s PRO 25 Ca 0.12 2.39 -0.18 0.00 0.04 0.00 0.00 61.00 63.38 2c4o s PRO 25 Cb 0.03 -3.11 0.11 0.00 0.04 0.00 0.00 34.50 31.57 2c4o s PRO 25 CO -0.04 -0.56 1.42 0.14 0.04 0.00 0.00 177.00 178.00 2c4o s VAL 26 N 0.60 4.53 0.00 -0.36 -7.23 -0.34 -4.82 120.40 112.78 2c4o s VAL 26 Ca 0.66 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 2c4o s VAL 26 Cb -0.44 -4.97 0.00 0.00 0.56 0.00 0.00 36.38 31.53 2c4o s VAL 26 CO 0.38 -1.74 0.00 0.61 -0.31 0.00 0.00 175.10 174.04 2c4o n GLY 27 N 5.32 0.61 0.37 2.32 0.00 -1.26 -4.49 105.19 108.05 2c4o n GLY 27 Ca 0.35 -1.36 0.04 0.00 0.00 0.00 0.00 46.02 45.04 2c4o n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2c4o n ASP 28 N 0.00 2.24 -4.59 1.61 5.68 -1.26 -4.96 116.55 115.27 2c4o n ASP 28 Ca 0.00 -1.75 -0.39 0.00 -0.50 0.00 0.00 54.79 52.15 2c4o n ASP 28 Cb 0.00 -0.10 -0.10 0.00 -1.14 0.00 0.00 41.12 39.79 2c4o n ASP 28 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2c4o s ASP 29 N -0.86 6.16 0.39 -1.12 2.15 -1.26 -4.96 116.67 117.18 2c4o s ASP 29 Ca 0.13 0.11 0.25 0.00 0.43 0.00 0.00 52.55 53.47 2c4o s ASP 29 Cb 0.07 -2.18 0.63 0.00 -0.30 0.00 0.00 42.92 41.14 2c4o s ASP 29 CO 0.10 -0.16 1.71 0.24 -0.17 0.00 0.00 175.17 176.89 2c4o h MET 30 N 8.28 0.00 -0.04 4.34 2.86 -1.96 -3.06 114.93 125.35 2c4o h MET 30 Ca -0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 2c4o h MET 30 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2c4o h MET 30 CO 0.62 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.78 2c4o n PHE 31 N -2.87 0.03 -3.93 -0.22 3.01 -1.26 -4.68 117.46 107.54 2c4o n PHE 31 Ca 0.04 -0.02 -0.30 0.00 1.01 0.00 0.00 57.45 58.18 2c4o n PHE 31 Cb 0.46 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.78 2c4o n PHE 31 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2c4o s HIS 32 N -1.97 2.63 0.42 1.38 2.46 -1.16 -1.63 115.29 117.43 2c4o s HIS 32 Ca 0.37 -2.05 0.07 0.00 0.47 0.00 0.00 55.06 53.92 2c4o s HIS 32 Cb 0.21 -1.89 -0.05 0.00 -0.13 0.00 0.00 32.58 30.71 2c4o s HIS 32 CO 0.32 -0.83 0.15 -1.58 -2.47 0.00 0.00 174.74 170.33 2c4o s TRP 33 N 1.31 2.55 0.02 3.88 0.52 0.45 -1.20 118.94 126.47 2c4o s TRP 33 Ca -0.00 -0.62 0.01 0.00 0.02 0.00 0.00 56.10 55.51 2c4o s TRP 33 Cb -0.19 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.20 2c4o s TRP 33 CO -0.09 0.22 -0.04 -1.14 0.02 0.00 0.00 176.95 175.91 2c4o s GLN 34 N -3.88 0.32 0.02 4.98 2.00 0.83 -1.00 119.66 122.93 2c4o s GLN 34 Ca 0.39 -0.44 0.02 0.00 -2.00 0.00 0.00 55.36 53.33 2c4o s GLN 34 Cb 0.05 -0.12 -0.02 0.00 0.80 0.00 0.00 33.01 33.73 2c4o s GLN 34 CO 0.21 0.02 -0.08 0.00 -0.50 0.00 0.00 175.29 174.94 2c4o s ALA 35 N -0.88 0.59 -0.08 1.58 0.00 -0.16 -1.42 121.76 121.40 2c4o s ALA 35 Ca -0.08 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.39 2c4o s ALA 35 Cb -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 2c4o s ALA 35 CO -0.00 0.07 -0.24 0.99 0.00 0.00 0.00 175.76 176.57 2c4o s THR 36 N -0.78 2.04 -0.20 0.00 2.01 0.41 0.02 115.64 119.13 2c4o s THR 36 Ca -0.03 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 60.91 2c4o s THR 36 Cb -0.06 -1.74 0.06 0.00 0.01 0.00 0.00 72.50 70.77 2c4o s THR 36 CO 0.00 0.56 0.01 -0.51 -0.69 0.00 0.00 174.62 174.00 2c4o s ILE 37 N 0.08 0.77 -0.36 1.82 2.07 0.23 -0.18 121.20 125.63 2c4o s ILE 37 Ca -0.11 -0.72 -0.28 0.00 -1.41 0.00 0.00 60.65 58.13 2c4o s ILE 37 Cb -0.16 -1.22 0.02 0.00 0.13 0.00 0.00 42.46 41.23 2c4o s ILE 37 CO 0.06 -0.18 1.03 -0.04 -1.91 0.00 0.00 174.94 173.90 2c4o s MET 38 N 1.74 3.92 0.19 3.50 -1.94 -1.23 -0.55 119.30 124.93 2c4o s MET 38 Ca -0.02 0.79 -0.28 0.00 -1.71 0.00 0.00 55.69 54.48 2c4o s MET 38 Cb -0.17 -3.79 -0.17 0.00 2.01 0.00 0.00 34.83 32.71 2c4o s MET 38 CO -0.07 -1.00 0.52 0.41 -0.01 0.00 0.00 175.02 174.87 2c4o n GLY 39 N 4.24 -1.63 3.35 -0.03 0.00 0.99 -4.84 105.19 107.26 2c4o n GLY 39 Ca 0.10 0.34 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 2c4o n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2c4o n PRO 40 N 0.99 0.16 -0.14 1.61 -0.02 -1.26 -4.31 135.00 132.02 2c4o n PRO 40 Ca 0.17 0.08 -0.10 0.00 -2.02 0.00 0.00 63.50 61.64 2c4o n PRO 40 Cb 0.24 -1.54 -0.01 0.00 -0.02 0.00 0.00 33.50 32.16 2c4o n PRO 40 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2c4o h ASN 41 N -0.46 0.68 -0.63 2.55 2.35 -1.94 -3.15 115.58 114.98 2c4o h ASN 41 Ca -0.44 -0.27 -0.17 0.00 -0.55 0.00 0.00 56.30 54.86 2c4o h ASN 41 Cb 1.36 -0.18 -0.10 0.00 0.05 0.00 0.00 38.32 39.44 2c4o h ASN 41 CO 0.39 0.78 0.19 -0.90 -1.65 0.00 0.00 177.43 176.24 2c4o n ASP 42 N -4.48 4.56 -4.70 5.81 5.75 -1.26 -4.70 116.55 117.53 2c4o n ASP 42 Ca -0.00 -3.23 -0.23 0.00 -0.01 0.00 0.00 54.79 51.31 2c4o n ASP 42 Cb 0.25 -0.71 -0.07 0.00 -1.03 0.00 0.00 41.12 39.57 2c4o n ASP 42 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2c4o s SER 43 N -1.29 4.55 0.00 -1.12 1.04 -1.23 -5.00 113.70 110.65 2c4o s SER 43 Ca 0.53 -0.80 0.03 0.00 0.48 0.00 0.00 55.95 56.19 2c4o s SER 43 Cb 0.42 -0.71 0.18 0.00 0.10 0.00 0.00 66.02 66.01 2c4o s SER 43 CO 0.12 -0.23 0.91 -0.81 0.98 0.00 0.00 173.24 174.21 2c4o n PRO 44 N -1.06 0.05 -0.42 4.02 -0.04 -1.26 -1.58 135.00 134.71 2c4o n PRO 44 Ca -0.04 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 2c4o n PRO 44 Cb 0.61 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.90 2c4o n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2c4o n TYR 45 N -1.26 1.08 -1.63 0.54 4.01 -1.26 -3.51 117.16 115.12 2c4o n TYR 45 Ca 0.02 -0.52 -0.40 0.00 -0.16 0.00 0.00 57.90 56.83 2c4o n TYR 45 Cb 0.03 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 39.03 2c4o n TYR 45 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2c4o n GLN 46 N 1.57 1.41 -0.14 -0.72 10.64 -0.61 -1.79 117.38 127.73 2c4o n GLN 46 Ca 0.25 0.51 0.00 0.00 -1.83 0.00 0.00 57.00 55.93 2c4o n GLN 46 Cb 0.67 -2.16 0.00 0.00 -0.86 0.00 0.00 30.24 27.90 2c4o n GLN 46 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2c4o n GLY 47 N 1.11 2.15 3.90 2.61 0.00 -1.26 -4.96 105.19 108.73 2c4o n GLY 47 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2c4o n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c4o s GLY 48 N -2.00 2.20 -0.14 -0.02 0.00 -0.74 -4.67 107.32 101.95 2c4o s GLY 48 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.21 2c4o s GLY 48 CO 0.00 -0.45 -0.21 0.14 0.00 0.00 0.00 173.10 172.58 2c4o s VAL 49 N -1.72 2.01 -0.11 1.40 1.01 -0.64 -0.01 120.40 122.35 2c4o s VAL 49 Ca 0.42 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.48 2c4o s VAL 49 Cb -0.12 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2c4o s VAL 49 CO 0.25 0.54 -0.20 -0.36 0.00 0.00 0.00 175.10 175.32 2c4o s PHE 50 N 0.89 2.63 0.07 5.22 0.08 0.29 -4.69 117.98 122.47 2c4o s PHE 50 Ca -0.05 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.11 2c4o s PHE 50 Cb -0.15 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 2c4o s PHE 50 CO -0.03 -0.33 0.20 -0.06 -0.10 0.00 0.00 175.22 174.89 2c4o s PHE 51 N 0.30 3.47 0.03 0.36 0.40 -1.26 0.76 117.98 122.05 2c4o s PHE 51 Ca -0.15 0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.40 2c4o s PHE 51 Cb -0.17 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 2c4o s PHE 51 CO 0.08 0.57 -0.05 -0.51 0.70 0.00 0.00 175.22 176.01 2c4o s LEU 52 N -2.57 2.25 -0.16 -0.37 1.02 0.10 -0.54 118.68 118.41 2c4o s LEU 52 Ca 0.34 -0.53 -0.07 0.00 0.02 0.00 0.00 54.13 53.90 2c4o s LEU 52 Cb -0.13 -0.03 -0.04 0.00 0.02 0.00 0.00 46.19 46.02 2c4o s LEU 52 CO 0.27 -0.26 0.06 -0.89 0.02 0.00 0.00 176.35 175.56 2c4o s THR 53 N -1.45 4.78 -0.08 5.49 2.01 0.21 -0.98 115.64 125.61 2c4o s THR 53 Ca -0.13 -0.04 0.04 0.00 0.31 0.00 0.00 61.69 61.87 2c4o s THR 53 Cb -0.10 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 2c4o s THR 53 CO -0.00 0.49 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.57 2c4o s ILE 54 N 0.09 2.29 -0.23 1.82 1.01 -0.17 -1.93 121.20 124.08 2c4o s ILE 54 Ca 0.05 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 2c4o s ILE 54 Cb -0.12 -1.87 0.07 0.00 0.01 0.00 0.00 42.46 40.55 2c4o s ILE 54 CO 0.01 0.56 0.06 -1.00 0.00 0.00 0.00 174.94 174.57 2c4o s HIS 55 N 0.06 1.12 0.10 3.97 3.76 -0.58 -0.41 115.29 123.30 2c4o s HIS 55 Ca -0.09 -1.07 -0.30 0.00 -0.15 0.00 0.00 55.06 53.44 2c4o s HIS 55 Cb -0.15 -1.18 -0.06 0.00 1.11 0.00 0.00 32.58 32.30 2c4o s HIS 55 CO 0.06 -0.70 1.09 -0.06 -0.85 0.00 0.00 174.74 174.28 2c4o s PHE 56 N 1.82 3.58 0.45 1.40 0.40 -0.64 -0.66 117.98 124.33 2c4o s PHE 56 Ca 0.03 1.55 -0.23 0.00 -0.60 0.00 0.00 56.93 57.67 2c4o s PHE 56 Cb -0.17 -3.27 -0.08 0.00 0.51 0.00 0.00 43.02 40.02 2c4o s PHE 56 CO -0.15 -0.61 1.18 -1.25 0.70 0.00 0.00 175.22 175.09 2c4o s PRO 57 N 0.38 3.80 0.00 0.24 0.04 -1.26 -4.84 135.00 133.36 2c4o s PRO 57 Ca 0.52 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2c4o s PRO 57 Cb -0.27 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2c4o s PRO 57 CO 0.31 -0.53 0.13 0.25 0.04 0.00 0.00 177.00 177.21 2c4o n THR 58 N -0.36 0.05 -1.87 1.26 -2.24 -1.26 -0.88 114.28 108.99 2c4o n THR 58 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2c4o n THR 58 Cb 0.47 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2c4o n THR 58 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2c4o n ASP 59 N 0.51 0.00 -4.63 3.42 9.92 -1.26 -0.01 116.55 124.49 2c4o n ASP 59 Ca 0.00 -1.58 -0.38 0.00 -0.53 0.00 0.00 54.79 52.31 2c4o n ASP 59 Cb 0.07 -0.12 0.05 0.00 -0.64 0.00 0.00 41.12 40.48 2c4o n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2c4o n TYR 60 N 0.00 1.00 0.61 1.24 9.36 -0.05 -2.17 117.16 127.15 2c4o n TYR 60 Ca 0.00 0.43 0.08 0.00 3.32 0.00 0.00 57.90 61.74 2c4o n TYR 60 Cb 0.62 -2.16 0.23 0.00 -0.63 0.00 0.00 39.34 37.39 2c4o n TYR 60 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2c4o n PRO 61 N -1.12 2.05 0.00 2.98 -0.04 -1.26 -3.70 135.00 133.91 2c4o n PRO 61 Ca 0.14 -1.62 0.09 0.00 -0.04 0.00 0.00 63.50 62.07 2c4o n PRO 61 Cb 0.47 -1.37 0.52 0.00 -0.04 0.00 0.00 33.50 33.08 2c4o n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2c4o n PHE 62 N 0.82 0.00 -4.11 0.54 3.01 -0.92 -4.00 117.46 112.80 2c4o n PHE 62 Ca 0.16 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.46 2c4o n PHE 62 Cb 0.39 -0.13 -0.15 0.00 -0.01 0.00 0.00 39.48 39.58 2c4o n PHE 62 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2c4o s LYS 63 N -2.26 0.42 0.48 -1.08 1.02 -1.25 -4.92 119.74 112.15 2c4o s LYS 63 Ca 0.24 -0.13 -0.22 0.00 0.02 0.00 0.00 55.97 55.88 2c4o s LYS 63 Cb 0.13 -0.44 -0.07 0.00 -0.52 0.00 0.00 37.83 36.93 2c4o s LYS 63 CO 0.25 0.05 1.17 -1.25 -0.92 0.00 0.00 175.35 174.64 2c4o s PRO 64 N 0.16 3.66 0.53 -1.68 0.04 -1.26 -4.54 135.00 131.90 2c4o s PRO 64 Ca -0.01 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.62 2c4o s PRO 64 Cb -0.05 -2.32 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 2c4o s PRO 64 CO -0.00 -0.63 1.01 -1.25 0.04 0.00 0.00 177.00 176.16 2c4o s PRO 65 N -2.82 3.75 -0.51 0.56 0.04 -1.26 -4.51 135.00 130.26 2c4o s PRO 65 Ca 0.66 1.08 -0.23 0.00 0.04 0.00 0.00 61.00 62.55 2c4o s PRO 65 Cb -0.28 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.20 2c4o s PRO 65 CO 0.34 -0.44 0.82 0.15 0.04 0.00 0.00 177.00 177.90 2c4o s LYS 66 N -3.94 3.32 -0.14 4.56 1.02 0.16 -4.89 119.74 119.83 2c4o s LYS 66 Ca 0.61 -0.33 -0.02 0.00 0.02 0.00 0.00 55.97 56.25 2c4o s LYS 66 Cb -0.12 -4.02 -0.02 0.00 -0.52 0.00 0.00 37.83 33.14 2c4o s LYS 66 CO 0.31 -1.30 -0.08 0.08 -0.92 0.00 0.00 175.35 173.44 2c4o s VAL 67 N 3.45 3.52 0.00 3.17 1.01 -1.26 -1.53 120.40 128.76 2c4o s VAL 67 Ca 0.27 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 2c4o s VAL 67 Cb -0.14 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 2c4o s VAL 67 CO 0.19 0.51 0.09 0.00 0.00 0.00 0.00 175.10 175.89 2c4o s ALA 68 N 0.26 -0.20 0.04 5.51 0.00 -0.81 -4.42 121.76 122.14 2c4o s ALA 68 Ca -0.06 -0.18 -0.28 0.00 0.00 0.00 0.00 51.96 51.44 2c4o s ALA 68 Cb -0.15 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 2c4o s ALA 68 CO 0.04 -0.17 0.87 -0.06 0.00 0.00 0.00 175.76 176.44 2c4o s PHE 69 N -1.16 3.72 -0.15 0.00 0.08 0.02 -0.62 117.98 119.86 2c4o s PHE 69 Ca -0.13 1.60 0.16 0.00 0.12 0.00 0.00 56.93 58.69 2c4o s PHE 69 Cb -0.07 -2.97 -0.24 0.00 -0.57 0.00 0.00 43.02 39.17 2c4o s PHE 69 CO 0.01 0.15 0.25 2.41 -0.10 0.00 0.00 175.22 177.93 2c4o n THR 70 N 3.24 1.44 -3.45 0.64 -1.04 0.30 -4.30 114.28 111.11 2c4o n THR 70 Ca 0.01 -0.84 -0.38 0.00 -2.04 0.00 0.00 64.05 60.81 2c4o n THR 70 Cb 0.50 -0.62 -0.06 0.00 -1.82 0.00 0.00 70.33 68.33 2c4o n THR 70 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2c4o s THR 71 N -2.53 5.08 0.48 12.58 2.01 -1.19 -4.96 115.64 127.10 2c4o s THR 71 Ca -0.08 0.85 -0.24 0.00 0.31 0.00 0.00 61.69 62.53 2c4o s THR 71 Cb 0.07 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 2c4o s THR 71 CO 0.83 0.50 1.31 -0.60 -0.69 0.00 0.00 174.62 175.97 2c4o s ARG 72 N -0.55 3.57 -0.07 4.92 3.52 -1.26 -4.88 118.95 124.20 2c4o s ARG 72 Ca 0.24 2.13 -0.24 0.00 -0.13 0.00 0.00 55.73 57.74 2c4o s ARG 72 Cb -0.16 -2.48 0.05 0.00 -1.56 0.00 0.00 34.95 30.80 2c4o s ARG 72 CO 0.12 -0.81 0.54 -1.50 -0.81 0.00 0.00 175.30 172.84 2c4o s ILE 73 N -1.33 0.02 -0.79 4.11 2.07 -1.26 -4.64 121.20 119.37 2c4o s ILE 73 Ca 0.64 -0.15 -0.17 0.00 -1.41 0.00 0.00 60.65 59.56 2c4o s ILE 73 Cb -0.38 -0.83 0.15 0.00 0.13 0.00 0.00 42.46 41.53 2c4o s ILE 73 CO 0.46 -0.08 0.87 -0.47 -1.91 0.00 0.00 174.94 173.81 2c4o s TYR 74 N -0.93 3.32 -0.00 3.50 6.14 -1.26 -4.97 117.35 123.15 2c4o s TYR 74 Ca -0.10 -1.48 -0.02 0.00 0.64 0.00 0.00 57.07 56.11 2c4o s TYR 74 Cb -0.02 -4.04 -0.01 0.00 0.42 0.00 0.00 41.96 38.31 2c4o s TYR 74 CO 0.06 -1.25 0.04 -1.58 0.64 0.00 0.00 175.55 173.46 2c4o s HIS 75 N 1.77 0.09 -0.31 4.97 2.46 -1.26 -4.81 115.29 118.20 2c4o s HIS 75 Ca 0.21 -0.17 0.27 0.00 0.47 0.00 0.00 55.06 55.84 2c4o s HIS 75 Cb -0.12 -0.08 0.85 0.00 -0.13 0.00 0.00 32.58 33.10 2c4o s HIS 75 CO -0.05 -0.14 1.78 -1.00 -2.47 0.00 0.00 174.74 172.86 2c4o h PRO 76 N 5.15 0.00 -0.24 2.88 0.13 -1.86 -3.20 132.00 134.87 2c4o h PRO 76 Ca -0.29 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 2c4o h PRO 76 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2c4o h PRO 76 CO 0.44 0.00 -0.02 0.09 -0.23 0.00 0.00 178.00 178.27 2c4o n ASN 77 N -2.85 3.29 -3.47 1.44 3.02 -1.26 0.81 115.26 116.24 2c4o n ASN 77 Ca 0.03 -3.22 -0.19 0.00 -0.03 0.00 0.00 54.58 51.18 2c4o n ASN 77 Cb 0.40 -0.55 -0.12 0.00 -0.61 0.00 0.00 39.78 38.90 2c4o n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2c4o s ILE 78 N -2.94 -0.33 0.00 2.41 1.01 -1.21 -1.12 121.20 119.02 2c4o s ILE 78 Ca 0.41 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2c4o s ILE 78 Cb 0.35 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 42.02 2c4o s ILE 78 CO 0.06 -0.32 0.00 -0.46 0.00 0.00 0.00 174.94 174.21 2c4o n ASN 79 N 5.31 -0.24 0.11 3.58 2.04 -1.10 -4.38 115.26 120.59 2c4o n ASN 79 Ca -0.05 -0.52 -0.01 0.00 -0.44 0.00 0.00 54.58 53.56 2c4o n ASN 79 Cb 0.48 0.00 0.24 0.00 -2.53 0.00 0.00 39.78 37.97 2c4o n ASN 79 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2c4o h SER 80 N -0.24 0.19 0.22 0.53 0.02 -1.94 -2.64 113.55 109.69 2c4o h SER 80 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2c4o h SER 80 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2c4o h SER 80 CO 0.00 0.60 0.00 0.59 -1.14 0.00 0.00 176.83 176.88 2c4o n ASN 81 N -4.01 0.00 0.00 3.07 3.02 -1.26 -4.85 115.26 111.23 2c4o n ASN 81 Ca -0.02 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 2c4o n ASN 81 Cb 0.48 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 2c4o n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c4o n GLY 82 N 0.87 0.81 3.77 7.41 0.00 -1.00 -4.71 105.19 112.35 2c4o n GLY 82 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2c4o n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c4o s SER 83 N -2.82 6.35 -0.16 1.61 0.01 -1.26 -0.80 113.70 116.64 2c4o s SER 83 Ca 0.00 3.03 -0.05 0.00 1.31 0.00 0.00 55.95 60.24 2c4o s SER 83 Cb 0.00 -2.66 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 2c4o s SER 83 CO 0.00 -0.88 -0.00 -0.63 0.41 0.00 0.00 173.24 172.14 2c4o s ILE 84 N -0.86 4.24 -1.02 1.44 1.01 -1.26 -2.70 121.20 122.04 2c4o s ILE 84 Ca 0.55 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.84 2c4o s ILE 84 Cb -0.47 -2.87 0.22 0.00 0.01 0.00 0.00 42.46 39.36 2c4o s ILE 84 CO 0.60 0.49 1.07 0.00 0.00 0.00 0.00 174.94 177.10 2c4o s LEU 86 N 0.12 1.38 0.19 0.00 2.96 -1.26 -4.97 118.68 117.10 2c4o s LEU 86 Ca 0.29 -0.37 -0.14 0.00 -0.22 0.00 0.00 54.13 53.69 2c4o s LEU 86 Cb -0.08 -0.96 0.18 0.00 0.50 0.00 0.00 46.19 45.83 2c4o s LEU 86 CO -0.07 -0.09 1.66 0.44 -1.32 0.00 0.00 176.35 176.97 2c4o h ASP 87 N 8.08 -0.39 0.24 3.68 3.32 -1.97 -0.64 116.42 128.73 2c4o h ASP 87 Ca -0.33 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2c4o h ASP 87 Cb 1.14 0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.97 2c4o h ASP 87 CO 0.45 -0.14 0.00 0.16 -1.72 0.00 0.00 179.24 177.99 2c4o h ILE 88 N 0.04 0.00 0.00 0.35 3.07 -1.94 0.45 117.51 119.48 2c4o h ILE 88 Ca 0.25 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.56 2c4o h ILE 88 Cb 0.39 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 37.93 2c4o h ILE 88 CO -0.50 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 176.78 2c4o n LEU 89 N -2.87 0.00 0.00 0.16 4.77 -0.25 -3.30 117.00 115.52 2c4o n LEU 89 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2c4o n LEU 89 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2c4o n LEU 89 CO 0.19 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.79 2c4o n ARG 90 N -0.82 0.00 0.09 3.23 5.12 -0.40 -4.81 116.66 119.07 2c4o n ARG 90 Ca 0.14 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.94 2c4o n ARG 90 Cb 0.06 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.31 2c4o n ARG 90 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2c4o h SER 91 N 0.00 -0.77 -0.31 0.55 4.64 -1.71 -2.59 113.55 113.37 2c4o h SER 91 Ca 0.00 0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 61.30 2c4o h SER 91 Cb 0.00 0.30 -0.07 0.00 -0.31 0.00 0.00 62.40 62.32 2c4o h SER 91 CO 0.00 -0.35 0.15 0.00 -0.87 0.00 0.00 176.83 175.77 2c4o n GLN 92 N -5.38 1.79 -2.96 4.77 3.00 0.01 -4.93 117.38 113.69 2c4o n GLN 92 Ca -0.06 -1.10 -0.32 0.00 -0.01 0.00 0.00 57.00 55.51 2c4o n GLN 92 Cb 0.29 -1.55 -0.06 0.00 0.00 0.00 0.00 30.24 28.93 2c4o n GLN 92 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.06 176.60 2c4o s TRP 93 N -1.35 3.38 -0.04 1.08 -0.11 -0.98 -4.42 118.94 116.50 2c4o s TRP 93 Ca 0.20 1.32 -0.09 0.00 1.22 0.00 0.00 56.10 58.75 2c4o s TRP 93 Cb 0.16 -2.63 0.02 0.00 -1.50 0.00 0.00 33.47 29.52 2c4o s TRP 93 CO 0.05 -0.02 0.21 0.45 -4.62 0.00 0.00 176.95 173.01 2c4o s SER 94 N -2.43 -0.14 0.64 5.86 0.15 -1.26 -5.02 113.70 111.50 2c4o s SER 94 Ca 0.56 0.18 0.38 0.00 0.70 0.00 0.00 55.95 57.77 2c4o s SER 94 Cb -0.10 0.35 2.14 0.00 -1.71 0.00 0.00 66.02 66.71 2c4o s SER 94 CO 0.19 -0.23 2.28 -0.65 1.20 0.00 0.00 173.24 176.03 2c4o h PRO 95 N 4.99 0.00 0.00 5.44 0.11 -1.92 -0.37 132.00 140.25 2c4o h PRO 95 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2c4o h PRO 95 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2c4o h PRO 95 CO 0.38 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.17 2c4o n ALA 96 N -2.14 2.40 -2.28 -0.75 0.00 -1.26 -4.82 120.51 111.65 2c4o n ALA 96 Ca -0.02 -0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.04 2c4o n ALA 96 Cb 0.13 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.16 2c4o n ALA 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c4o s LEU 97 N -2.28 3.60 0.13 0.00 1.02 -0.15 -5.12 118.68 115.88 2c4o s LEU 97 Ca 0.32 0.27 -0.00 0.00 0.02 0.00 0.00 54.13 54.74 2c4o s LEU 97 Cb 0.18 -3.15 -0.04 0.00 0.02 0.00 0.00 46.19 43.20 2c4o s LEU 97 CO 0.35 -0.75 0.02 0.42 0.02 0.00 0.00 176.35 176.42 2c4o s THR 98 N -2.58 0.29 0.51 5.49 -4.23 -1.26 -5.00 115.64 108.85 2c4o s THR 98 Ca 0.49 -1.91 0.16 0.00 -1.18 0.00 0.00 61.69 59.25 2c4o s THR 98 Cb -0.10 -1.97 0.26 0.00 1.34 0.00 0.00 72.50 72.03 2c4o s THR 98 CO 0.38 -0.57 2.13 0.40 -0.54 0.00 0.00 174.62 176.42 2c4o h ILE 99 N 2.87 1.00 0.25 2.99 1.08 -1.98 -0.29 117.51 123.45 2c4o h ILE 99 Ca -0.35 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 2c4o h ILE 99 Cb 1.19 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.00 2c4o h ILE 99 CO 0.61 0.03 -0.12 -1.28 -0.69 0.00 0.00 178.15 176.70 2c4o h SER 100 N 0.00 -0.29 0.22 1.72 0.87 -1.95 -0.27 113.55 113.85 2c4o h SER 100 Ca -0.00 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 2c4o h SER 100 Cb 0.05 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2c4o h SER 100 CO 0.00 -0.19 -0.26 0.11 -0.53 0.00 0.00 176.83 175.97 2c4o h LYS 101 N -0.36 0.07 -0.65 2.24 1.57 -1.74 -2.31 116.57 115.39 2c4o h LYS 101 Ca -0.03 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2c4o h LYS 101 Cb 0.28 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2c4o h LYS 101 CO 0.06 0.33 0.09 0.28 -0.57 0.00 0.00 179.45 179.63 2c4o h VAL 102 N 0.06 1.26 -0.30 0.50 2.07 -0.55 -0.26 116.25 119.04 2c4o h VAL 102 Ca 0.01 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 2c4o h VAL 102 Cb 0.50 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2c4o h VAL 102 CO 0.04 0.39 -0.03 -0.07 0.02 0.00 0.00 177.57 177.92 2c4o h LEU 103 N 1.00 0.54 -0.94 2.57 3.38 -0.70 -1.88 115.31 119.28 2c4o h LEU 103 Ca 0.19 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2c4o h LEU 103 Cb 0.46 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2c4o h LEU 103 CO 0.02 0.74 0.59 -0.07 0.09 0.00 0.00 178.44 179.80 2c4o h LEU 104 N 0.32 1.10 -0.79 1.67 -0.00 -1.23 0.12 115.31 116.50 2c4o h LEU 104 Ca 0.08 -0.05 -0.07 0.00 -0.00 0.00 0.00 57.88 57.84 2c4o h LEU 104 Cb 0.48 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.83 2c4o h LEU 104 CO 0.02 0.83 0.12 0.28 -0.00 0.00 0.00 178.44 179.69 2c4o h SER 105 N 1.28 0.98 -0.00 -0.43 0.02 -0.89 -1.65 113.55 112.86 2c4o h SER 105 Ca 0.34 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2c4o h SER 105 Cb -0.10 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.18 2c4o h SER 105 CO -0.07 0.97 -0.00 0.40 -1.14 0.00 0.00 176.83 176.99 2c4o h ILE 106 N 0.98 1.40 -0.87 3.27 2.04 -0.78 -1.57 117.51 121.97 2c4o h ILE 106 Ca 0.20 -1.17 0.20 0.00 1.00 0.00 0.00 64.86 65.09 2c4o h ILE 106 Cb 0.39 2.18 -0.06 0.00 -0.74 0.00 0.00 36.82 38.59 2c4o h ILE 106 CO 0.01 0.31 0.58 0.00 0.00 0.00 0.00 178.15 179.04 2c4o h SER 108 N 0.36 0.70 -0.27 0.00 0.02 -1.18 -2.97 113.55 110.21 2c4o h SER 108 Ca 0.44 -0.52 0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2c4o h SER 108 Cb 1.17 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 2c4o h SER 108 CO -0.15 1.31 0.19 0.25 -1.14 0.00 0.00 176.83 177.29 2c4o h LEU 109 N 0.35 0.16 -0.72 5.07 7.12 0.52 0.57 115.31 128.38 2c4o h LEU 109 Ca -0.08 -0.00 -0.13 0.00 0.13 0.00 0.00 57.88 57.80 2c4o h LEU 109 Cb 1.52 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.60 2c4o h LEU 109 CO 0.17 0.11 -0.40 -0.07 -0.13 0.00 0.00 178.44 178.11 2c4o h LEU 110 N 0.18 0.55 0.00 2.25 -0.00 -1.11 -2.55 115.31 114.63 2c4o h LEU 110 Ca 0.12 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2c4o h LEU 110 Cb 0.25 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2c4o h LEU 110 CO -0.02 0.89 -0.89 0.00 -0.00 0.00 0.00 178.44 178.42 2c4o n ASP 112 N -2.11 -1.51 -4.70 0.00 2.03 0.18 -5.10 116.55 105.33 2c4o n ASP 112 Ca 0.02 -2.65 -0.30 0.00 0.52 0.00 0.00 54.79 52.38 2c4o n ASP 112 Cb 0.45 0.33 0.14 0.00 -0.72 0.00 0.00 41.12 41.32 2c4o n ASP 112 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2c4o s PRO 113 N 0.21 1.35 -0.78 -0.67 0.04 -0.97 -4.51 135.00 129.67 2c4o s PRO 113 Ca 0.32 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 2c4o s PRO 113 Cb 0.06 -1.79 0.19 0.00 0.04 0.00 0.00 34.50 33.00 2c4o s PRO 113 CO -0.15 -2.28 0.63 1.21 0.04 0.00 0.00 177.00 176.45 2c4o s ASN 114 N -3.10 5.54 0.00 6.66 3.84 -1.26 -4.90 114.94 121.71 2c4o s ASN 114 Ca 0.64 -3.51 0.01 0.00 0.21 0.00 0.00 52.86 50.21 2c4o s ASN 114 Cb -0.20 -1.84 0.04 0.00 -0.55 0.00 0.00 41.25 38.71 2c4o s ASN 114 CO 0.58 -0.21 0.81 -0.81 -2.79 0.00 0.00 177.10 174.67 2c4o n PRO 115 N 2.57 0.01 0.11 0.43 -0.04 -1.26 -1.13 135.00 135.69 2c4o n PRO 115 Ca 0.17 0.26 -0.01 0.00 -0.04 0.00 0.00 63.50 63.89 2c4o n PRO 115 Cb 0.37 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 2c4o n PRO 115 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2c4o h ASP 116 N 0.00 0.00 -2.25 3.54 3.32 -1.94 -3.36 116.42 115.73 2c4o h ASP 116 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 2c4o h ASP 116 Cb 0.01 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.15 2c4o h ASP 116 CO 0.00 0.66 -0.73 -0.90 -1.72 0.00 0.00 179.24 176.55 2c4o n ASP 117 N -3.24 2.64 -4.72 6.45 5.75 -0.28 -5.10 116.55 118.05 2c4o n ASP 117 Ca 0.01 -3.19 -0.42 0.00 -0.01 0.00 0.00 54.79 51.17 2c4o n ASP 117 Cb 0.81 -0.67 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 2c4o n ASP 117 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2c4o s PRO 118 N -1.95 4.52 0.04 0.11 0.04 -1.25 -4.74 135.00 131.77 2c4o s PRO 118 Ca 0.37 1.62 0.23 0.00 0.04 0.00 0.00 61.00 63.25 2c4o s PRO 118 Cb 0.13 -3.38 0.08 0.00 0.04 0.00 0.00 34.50 31.37 2c4o s PRO 118 CO -0.06 -0.11 1.06 -0.11 0.04 0.00 0.00 177.00 177.82 2c4o n LEU 119 N 3.64 0.63 -3.53 -3.56 7.94 0.24 -4.50 117.00 117.86 2c4o n LEU 119 Ca 0.07 -0.05 -0.29 0.00 -1.11 0.00 0.00 56.01 54.63 2c4o n LEU 119 Cb 0.48 -0.11 -0.12 0.00 0.53 0.00 0.00 43.42 44.20 2c4o n LEU 119 CO 0.54 0.06 -0.29 -0.69 -1.11 0.00 0.00 177.39 175.90 2c4o s VAL 120 N -3.16 0.56 0.18 1.96 1.01 -0.88 -4.74 120.40 115.32 2c4o s VAL 120 Ca 0.05 -2.11 -0.21 0.00 0.00 0.00 0.00 61.98 59.71 2c4o s VAL 120 Cb 0.15 -1.40 0.10 0.00 0.00 0.00 0.00 36.38 35.22 2c4o s VAL 120 CO 0.79 -1.00 1.37 -2.65 0.00 0.00 0.00 175.10 173.62 2c4o n PRO 121 N 3.70 -0.28 -0.26 2.72 -0.02 -1.26 -1.91 135.00 137.69 2c4o n PRO 121 Ca 0.14 1.35 -0.01 0.00 -2.02 0.00 0.00 63.50 62.96 2c4o n PRO 121 Cb 0.38 -2.00 0.18 0.00 -0.02 0.00 0.00 33.50 32.04 2c4o n PRO 121 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2c4o h GLU 122 N 0.00 1.08 -0.39 -0.52 4.57 -1.98 -1.84 114.58 115.50 2c4o h GLU 122 Ca 0.24 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 58.22 2c4o h GLU 122 Cb 0.46 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2c4o h GLU 122 CO -0.86 0.76 -0.16 0.82 -1.18 0.00 0.00 179.01 178.39 2c4o h ILE 123 N 1.10 1.26 -0.04 2.32 2.04 -1.76 -2.42 117.51 120.01 2c4o h ILE 123 Ca 0.29 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.84 2c4o h ILE 123 Cb -0.04 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2c4o h ILE 123 CO -0.05 0.41 -0.34 0.00 0.00 0.00 0.00 178.15 178.16 2c4o h ALA 124 N 1.17 1.35 0.28 1.87 0.00 -1.03 -2.88 119.26 120.03 2c4o h ALA 124 Ca 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2c4o h ALA 124 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2c4o h ALA 124 CO 0.04 0.47 -0.13 0.00 0.00 0.00 0.00 179.25 179.63 2c4o h ARG 125 N 0.07 -0.36 0.00 0.00 3.08 -0.88 -2.88 114.38 113.40 2c4o h ARG 125 Ca 0.01 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2c4o h ARG 125 Cb 0.65 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2c4o h ARG 125 CO 0.05 -0.24 0.15 0.44 -1.07 0.00 0.00 179.97 179.30 2c4o n ILE 126 N -3.61 0.97 0.11 2.04 -6.64 -1.01 0.24 119.36 111.47 2c4o n ILE 126 Ca -0.05 0.69 -0.18 0.00 -1.77 0.00 0.00 62.75 61.44 2c4o n ILE 126 Cb 0.15 -1.69 -0.15 0.00 -1.44 0.00 0.00 39.64 36.51 2c4o n ILE 126 CO 0.00 0.00 0.00 0.22 -1.77 0.00 0.00 176.55 175.00 2c4o h TYR 127 N 0.00 0.63 0.05 4.28 3.20 -1.47 -0.66 116.97 123.01 2c4o h TYR 127 Ca 0.00 -0.46 -0.26 0.00 3.14 0.00 0.00 58.73 61.15 2c4o h TYR 127 Cb 0.30 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2c4o h TYR 127 CO 0.00 1.37 -1.34 0.87 -1.64 0.00 0.00 178.16 177.42 2c4o h LYS 128 N 0.09 0.11 0.00 1.82 1.57 0.01 -3.31 116.57 116.86 2c4o h LYS 128 Ca -0.17 -0.19 -0.20 0.00 -1.87 0.00 0.00 60.65 58.21 2c4o h LYS 128 Cb 2.03 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 34.37 2c4o h LYS 128 CO 0.22 0.97 -2.19 0.25 -0.57 0.00 0.00 179.45 178.13 2c4o n THR 129 N -3.35 0.77 -3.07 -0.16 -2.24 -0.31 -4.78 114.28 101.14 2c4o n THR 129 Ca -0.09 -0.69 -0.19 0.00 -2.27 0.00 0.00 64.05 60.81 2c4o n THR 129 Cb 1.00 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 2c4o n THR 129 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2c4o n ASP 130 N -2.52 -0.83 -0.27 3.42 -0.08 -0.26 -4.98 116.55 111.03 2c4o n ASP 130 Ca -0.20 -2.85 0.01 0.00 -1.51 0.00 0.00 54.79 50.24 2c4o n ASP 130 Cb 0.89 0.13 0.13 0.00 2.34 0.00 0.00 41.12 44.61 2c4o n ASP 130 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2c4o h ARG 131 N 4.12 0.77 -0.57 -0.67 -0.00 -1.62 -1.77 114.38 114.63 2c4o h ARG 131 Ca 0.02 -0.05 0.12 0.00 -0.50 0.00 0.00 59.98 59.57 2c4o h ARG 131 Cb 0.93 -0.17 -0.10 0.00 0.00 0.00 0.00 29.97 30.62 2c4o h ARG 131 CO 0.41 0.51 -0.07 1.05 0.00 0.00 0.00 179.97 181.87 2c4o h GLU 132 N 0.79 0.06 0.00 0.04 9.09 -1.92 0.93 114.58 123.57 2c4o h GLU 132 Ca 0.35 -0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.66 2c4o h GLU 132 Cb 0.25 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.32 2c4o h GLU 132 CO -0.21 0.04 -0.47 -0.22 0.05 0.00 0.00 179.01 178.20 2c4o h LYS 133 N 0.06 0.00 -0.84 1.06 3.64 -1.81 -2.88 116.57 115.79 2c4o h LYS 133 Ca 0.29 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 2c4o h LYS 133 Cb 0.45 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2c4o h LYS 133 CO -0.54 0.47 0.44 -0.92 -2.27 0.00 0.00 179.45 176.63 2c4o h TYR 134 N 0.00 1.19 -0.21 1.91 5.03 -0.04 -1.28 116.97 123.56 2c4o h TYR 134 Ca -0.00 -0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.14 2c4o h TYR 134 Cb 1.19 -0.37 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 2c4o h TYR 134 CO 0.00 0.84 -0.40 -0.91 -1.32 0.00 0.00 178.16 176.37 2c4o h ASN 135 N 1.19 0.52 -0.20 -2.11 2.35 -0.80 -1.35 115.58 115.19 2c4o h ASN 135 Ca 0.29 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2c4o h ASN 135 Cb 0.07 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2c4o h ASN 135 CO -0.04 0.87 0.04 0.03 -1.65 0.00 0.00 177.43 176.67 2c4o h ARG 136 N 0.41 0.32 -0.28 0.81 -0.00 -1.15 -0.45 114.38 114.04 2c4o h ARG 136 Ca 0.04 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.98 59.33 2c4o h ARG 136 Cb 0.88 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.80 2c4o h ARG 136 CO 0.07 0.47 -0.21 0.82 0.00 0.00 0.00 179.97 181.12 2c4o h ILE 137 N 0.12 1.30 -0.99 2.04 1.08 -1.24 -0.81 117.51 119.01 2c4o h ILE 137 Ca 0.06 -1.35 0.07 0.00 -0.39 0.00 0.00 64.86 63.25 2c4o h ILE 137 Cb 0.30 1.56 -0.07 0.00 -3.07 0.00 0.00 36.82 35.54 2c4o h ILE 137 CO 0.00 0.43 0.64 0.00 -0.69 0.00 0.00 178.15 178.53 2c4o h ALA 138 N 0.72 1.44 -0.29 1.87 0.00 -1.21 -0.07 119.26 121.72 2c4o h ALA 138 Ca 0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2c4o h ALA 138 Cb 0.76 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2c4o h ALA 138 CO 0.06 0.40 -0.32 -0.09 0.00 0.00 0.00 179.25 179.30 2c4o h ARG 139 N 1.13 0.62 0.32 0.00 2.43 -0.84 -2.71 114.38 115.32 2c4o h ARG 139 Ca 0.44 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2c4o h ARG 139 Cb 0.22 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2c4o h ARG 139 CO -0.18 0.86 -0.15 0.93 -1.51 0.00 0.00 179.97 179.92 2c4o h GLU 140 N 0.53 -0.41 -0.58 0.20 5.08 0.42 -2.87 114.58 116.95 2c4o h GLU 140 Ca 0.06 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.56 2c4o h GLU 140 Cb 0.80 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 2c4o h GLU 140 CO 0.07 -0.17 0.40 -1.49 -1.00 0.00 0.00 179.01 176.81 2c4o h TRP 141 N -0.60 0.35 0.00 4.33 4.06 -1.15 0.70 115.95 123.65 2c4o h TRP 141 Ca -0.04 0.01 -0.05 0.00 2.06 0.00 0.00 58.89 60.86 2c4o h TRP 141 Cb 0.43 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.47 2c4o h TRP 141 CO -0.01 0.16 -0.25 1.15 -3.56 0.00 0.00 178.44 175.93 2c4o h THR 142 N 0.32 1.14 0.03 1.49 2.02 -1.27 -0.83 112.91 115.82 2c4o h THR 142 Ca 0.27 -0.87 -0.24 0.00 0.77 0.00 0.00 66.41 66.34 2c4o h THR 142 Cb 0.64 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 2c4o h THR 142 CO -0.07 0.25 -1.20 1.56 0.37 0.00 0.00 175.52 176.43 2c4o h GLN 143 N 0.00 0.06 -0.01 6.66 4.20 -0.70 0.57 115.11 125.90 2c4o h GLN 143 Ca -0.00 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2c4o h GLN 143 Cb 0.45 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2c4o h GLN 143 CO 0.03 0.96 -0.62 0.36 -0.67 0.00 0.00 178.83 178.90 2c4o n LYS 144 N -3.34 0.46 0.00 1.46 2.85 -0.93 -4.23 118.16 114.44 2c4o n LYS 144 Ca -0.05 -0.35 0.00 0.00 -1.05 0.00 0.00 58.31 56.86 2c4o n LYS 144 Cb 0.98 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.87 2c4o n LYS 144 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2c4o n TYR 145 N -0.96 0.00 0.30 5.58 4.01 -0.34 -4.90 117.16 120.85 2c4o n TYR 145 Ca 0.07 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.89 2c4o n TYR 145 Cb 0.37 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.29 2c4o n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2c4o n ALA 146 N -0.93 3.20 1.62 -0.72 0.00 -0.72 -4.75 120.51 118.22 2c4o n ALA 146 Ca 0.00 -0.41 0.14 0.00 0.00 0.00 0.00 53.44 53.18 2c4o n ALA 146 Cb 0.12 -0.56 0.63 0.00 0.00 0.00 0.00 19.45 19.65 2c4o n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17