#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2awt s ALA 2 N 0.00 1.47 0.12 -5.12 0.00 -1.26 -5.13 121.76 111.84 2awt s ALA 2 Ca 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 2awt s ALA 2 Cb 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2awt s ALA 2 CO 0.00 -0.77 0.30 0.34 0.00 0.00 0.00 175.76 175.63 2awt s ASP 3 N 1.64 6.40 0.01 0.00 2.15 -1.26 -5.11 116.67 120.50 2awt s ASP 3 Ca 0.01 0.38 -0.20 0.00 0.43 0.00 0.00 52.55 53.17 2awt s ASP 3 Cb -0.15 -2.01 0.04 0.00 -0.30 0.00 0.00 42.92 40.50 2awt s ASP 3 CO -0.08 0.08 0.45 -1.61 -0.17 0.00 0.00 175.17 173.85 2awt s GLU 4 N -2.77 0.89 -0.46 4.34 2.02 -1.26 -5.11 118.70 116.35 2awt s GLU 4 Ca 0.37 -0.17 0.07 0.00 0.02 0.00 0.00 54.97 55.26 2awt s GLU 4 Cb -0.12 0.40 0.24 0.00 0.10 0.00 0.00 34.13 34.75 2awt s GLU 4 CO 0.27 -0.29 0.77 0.36 0.02 0.00 0.00 175.26 176.39 2awt n LYS 5 N 0.81 0.75 -2.13 1.61 2.85 -1.26 -5.12 118.16 115.67 2awt n LYS 5 Ca -0.19 -2.21 -0.43 0.00 -1.05 0.00 0.00 58.31 54.43 2awt n LYS 5 Cb 0.58 -1.39 -0.03 0.00 -0.65 0.00 0.00 35.03 33.55 2awt n LYS 5 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2awt s PRO 6 N 0.11 3.90 0.00 -1.58 0.04 -1.26 -4.74 135.00 131.47 2awt s PRO 6 Ca 0.33 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2awt s PRO 6 Cb 0.21 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.75 2awt s PRO 6 CO -0.20 -1.16 0.00 0.36 0.04 0.00 0.00 177.00 176.04 2awt n LYS 7 N 7.47 0.00 0.23 4.56 2.85 -1.26 -4.83 118.16 127.18 2awt n LYS 7 Ca 0.18 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.55 2awt n LYS 7 Cb 0.45 -0.42 0.49 0.00 -0.65 0.00 0.00 35.03 34.90 2awt n LYS 7 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 2awt h GLU 8 N 0.00 0.00 -6.09 -1.58 -0.00 -2.03 -3.44 114.58 101.44 2awt h GLU 8 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 59.36 58.70 2awt h GLU 8 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.78 2awt h GLU 8 CO 0.00 0.19 1.25 0.41 -0.00 0.00 0.00 179.01 180.86 2awt n GLY 9 N 0.14 0.86 3.43 1.06 0.00 -1.26 -4.93 105.19 104.49 2awt n GLY 9 Ca 0.00 0.90 -0.22 0.00 0.00 0.00 0.00 46.02 46.71 2awt n GLY 9 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2awt s VAL 10 N 5.88 0.72 0.05 1.61 -7.23 -1.26 -5.16 120.40 115.00 2awt s VAL 10 Ca 1.02 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.21 2awt s VAL 10 Cb -0.81 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 33.55 2awt s VAL 10 CO 0.52 0.00 -0.06 -0.54 -0.31 0.00 0.00 175.10 174.71 2awt s LYS 11 N -3.83 0.54 0.03 4.82 3.01 -1.26 -5.04 119.74 118.01 2awt s LYS 11 Ca 0.32 -0.87 0.00 0.00 -1.01 0.00 0.00 55.97 54.41 2awt s LYS 11 Cb 0.06 -0.12 -0.03 0.00 -1.01 0.00 0.00 37.83 36.72 2awt s LYS 11 CO 0.15 -0.00 -0.04 0.95 0.51 0.00 0.00 175.35 176.92 2awt s THR 12 N -2.07 0.22 -0.05 2.17 -4.23 -1.26 -5.06 115.64 105.36 2awt s THR 12 Ca -0.06 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 2awt s THR 12 Cb -0.05 -0.71 -0.05 0.00 1.34 0.00 0.00 72.50 73.03 2awt s THR 12 CO -0.02 -0.64 -0.02 -1.84 -0.54 0.00 0.00 174.62 171.57 2awt n GLU 13 N 1.10 1.71 0.08 3.99 0.00 -1.26 -4.68 120.64 121.59 2awt n GLU 13 Ca -0.21 0.02 -0.10 0.00 0.00 0.00 0.00 57.16 56.87 2awt n GLU 13 Cb 0.57 -1.11 -0.03 0.00 0.00 0.00 0.00 31.44 30.86 2awt n GLU 13 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 2awt h ASN 14 N 0.00 0.30 -3.48 -1.84 -0.73 -2.09 -3.47 115.58 104.28 2awt h ASN 14 Ca -0.12 -0.25 -0.51 0.00 1.87 0.00 0.00 56.30 57.29 2awt h ASN 14 Cb 1.23 -0.09 -0.14 0.00 0.27 0.00 0.00 38.32 39.60 2awt h ASN 14 CO -0.01 1.08 -0.55 0.20 -0.37 0.00 0.00 177.43 177.78 2awt s ASN 15 N -6.96 2.42 0.88 1.15 -0.87 -1.26 -5.17 114.94 105.13 2awt s ASN 15 Ca -0.03 -1.57 -0.11 0.00 -1.57 0.00 0.00 52.86 49.57 2awt s ASN 15 Cb 0.10 0.33 0.17 0.00 -0.02 0.00 0.00 41.25 41.83 2awt s ASN 15 CO 0.84 -0.84 1.22 -0.62 -2.57 0.00 0.00 177.10 175.13 2awt s ASP 16 N -3.53 3.55 -0.29 -1.22 -1.08 -1.26 -4.57 116.67 108.27 2awt s ASP 16 Ca 0.29 0.11 0.05 0.00 -0.52 0.00 0.00 52.55 52.48 2awt s ASP 16 Cb 0.05 -0.27 0.20 0.00 -1.46 0.00 0.00 42.92 41.43 2awt s ASP 16 CO 0.15 -2.43 0.60 -1.38 0.52 0.00 0.00 175.17 172.63 2awt s HIS 17 N -3.65 -1.80 0.58 -5.34 -3.43 -1.26 -4.18 115.29 96.20 2awt s HIS 17 Ca 0.71 1.13 0.08 0.00 -0.80 0.00 0.00 55.06 56.18 2awt s HIS 17 Cb -0.05 0.34 0.08 0.00 -1.43 0.00 0.00 32.58 31.52 2awt s HIS 17 CO 0.50 -1.04 0.62 0.44 -2.00 0.00 0.00 174.74 173.26 2awt n ILE 18 N 5.41 0.00 -4.62 -5.38 -5.35 0.38 -4.98 119.36 104.82 2awt n ILE 18 Ca 0.04 -2.10 -0.29 0.00 -0.27 0.00 0.00 62.75 60.14 2awt n ILE 18 Cb 0.54 -0.26 -0.14 0.00 -1.74 0.00 0.00 39.64 38.04 2awt n ILE 18 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2awt s ASN 19 N -4.49 3.18 0.10 7.28 2.47 -1.26 -3.31 114.94 118.91 2awt s ASN 19 Ca 0.47 -0.67 -0.04 0.00 0.42 0.00 0.00 52.86 53.04 2awt s ASN 19 Cb -0.04 -0.24 -0.02 0.00 -1.45 0.00 0.00 41.25 39.49 2awt s ASN 19 CO 0.30 0.21 0.11 -0.76 -3.72 0.00 0.00 177.10 173.23 2awt s LEU 20 N -1.66 1.75 -0.12 3.21 1.43 -1.09 -2.93 118.68 119.27 2awt s LEU 20 Ca 0.12 -0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 52.24 2awt s LEU 20 Cb -0.10 0.62 0.05 0.00 0.03 0.00 0.00 46.19 46.79 2awt s LEU 20 CO 0.04 -0.72 0.08 -0.54 0.23 0.00 0.00 176.35 175.44 2awt s LYS 21 N -3.95 0.01 -0.91 1.70 -0.14 0.97 -2.95 119.74 114.47 2awt s LYS 21 Ca 0.13 0.11 -0.19 0.00 -1.36 0.00 0.00 55.97 54.66 2awt s LYS 21 Cb 0.06 -1.30 0.13 0.00 -1.68 0.00 0.00 37.83 35.04 2awt s LYS 21 CO -0.05 -0.54 1.10 0.08 -0.76 0.00 0.00 175.35 175.18 2awt s VAL 22 N 2.16 4.75 -0.30 3.17 1.01 -0.37 -1.15 120.40 129.68 2awt s VAL 22 Ca 0.03 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.46 2awt s VAL 22 Cb -0.14 -4.76 0.06 0.00 0.00 0.00 0.00 36.38 31.54 2awt s VAL 22 CO -0.07 -1.48 -0.02 0.00 0.00 0.00 0.00 175.10 173.54 2awt s ALA 23 N 2.63 2.77 0.27 5.51 0.00 -1.24 -1.09 121.76 130.62 2awt s ALA 23 Ca 0.31 -1.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.07 2awt s ALA 23 Cb -0.06 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.11 2awt s ALA 23 CO -0.08 -1.33 1.10 0.20 0.00 0.00 0.00 175.76 175.64 2awt s GLY 24 N 1.21 3.06 0.67 0.00 0.00 -0.36 -3.11 107.32 108.78 2awt s GLY 24 Ca -0.04 0.89 0.43 0.00 0.00 0.00 0.00 44.72 46.00 2awt s GLY 24 CO -0.03 1.50 2.33 0.06 0.00 0.00 0.00 173.10 176.95 2awt h GLN 25 N 3.89 0.00 0.00 2.90 3.07 -1.86 -3.12 115.11 119.99 2awt h GLN 25 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 2awt h GLN 25 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 2awt h GLN 25 CO 0.67 0.00 0.00 -3.47 0.09 0.00 0.00 178.83 176.12 2awt n ASP 26 N -3.10 0.00 -2.69 0.06 2.03 -1.26 -4.93 116.55 106.67 2awt n ASP 26 Ca -0.03 0.33 -0.06 0.00 0.52 0.00 0.00 54.79 55.55 2awt n ASP 26 Cb 0.10 -0.32 0.07 0.00 -0.72 0.00 0.00 41.12 40.26 2awt n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2awt n GLY 27 N 2.12 0.61 3.31 0.27 0.00 -1.21 -4.31 105.19 105.99 2awt n GLY 27 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2awt n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2awt s SER 28 N -0.85 2.54 -0.30 1.61 0.01 -0.09 -0.25 113.70 116.38 2awt s SER 28 Ca 0.16 -0.84 -0.17 0.00 1.31 0.00 0.00 55.95 56.41 2awt s SER 28 Cb 0.28 -0.14 0.17 0.00 0.21 0.00 0.00 66.02 66.55 2awt s SER 28 CO -0.06 -0.05 1.21 0.54 0.41 0.00 0.00 173.24 175.29 2awt s VAL 29 N -1.99 -0.08 -0.07 3.43 0.11 -1.15 -1.23 120.40 119.41 2awt s VAL 29 Ca 0.14 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.09 2awt s VAL 29 Cb -0.06 -0.95 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2awt s VAL 29 CO 0.06 0.00 0.25 0.54 -3.33 0.00 0.00 175.10 172.62 2awt s VAL 30 N 2.99 0.02 0.21 2.04 0.11 -0.25 -4.96 120.40 120.56 2awt s VAL 30 Ca -0.07 -0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 58.66 2awt s VAL 30 Cb -0.08 -0.40 -0.08 0.00 -1.53 0.00 0.00 36.38 34.29 2awt s VAL 30 CO -0.08 -0.08 0.69 -1.10 -3.33 0.00 0.00 175.10 171.20 2awt s GLN 31 N -0.23 4.19 0.09 1.54 -0.21 -1.26 -1.23 119.66 122.54 2awt s GLN 31 Ca -0.03 0.79 -0.13 0.00 0.02 0.00 0.00 55.36 56.00 2awt s GLN 31 Cb -0.03 -2.87 0.02 0.00 1.00 0.00 0.00 33.01 31.13 2awt s GLN 31 CO 0.01 0.40 0.30 -0.06 -2.12 0.00 0.00 175.29 173.82 2awt s PHE 32 N -1.53 -0.06 0.03 0.91 0.40 -1.15 -4.96 117.98 111.61 2awt s PHE 32 Ca 0.42 -0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.58 2awt s PHE 32 Cb -0.16 0.11 -0.02 0.00 0.51 0.00 0.00 43.02 43.46 2awt s PHE 32 CO 0.20 -0.59 -0.17 0.21 0.70 0.00 0.00 175.22 175.58 2awt s LYS 33 N -3.40 1.20 0.15 0.44 2.20 -1.26 -2.67 119.74 116.39 2awt s LYS 33 Ca 0.01 -0.76 -0.19 0.00 -0.36 0.00 0.00 55.97 54.67 2awt s LYS 33 Cb 0.02 -1.23 0.05 0.00 -1.51 0.00 0.00 37.83 35.16 2awt s LYS 33 CO -0.09 0.32 0.50 -1.50 -0.36 0.00 0.00 175.35 174.22 2awt s ILE 34 N -0.69 0.04 0.55 5.43 2.07 -1.21 -5.03 121.20 122.36 2awt s ILE 34 Ca 0.05 -0.39 -0.05 0.00 -1.41 0.00 0.00 60.65 58.86 2awt s ILE 34 Cb -0.08 -1.17 0.12 0.00 0.13 0.00 0.00 42.46 41.46 2awt s ILE 34 CO 0.01 -0.17 0.75 0.29 -1.91 0.00 0.00 174.94 173.92 2awt n LYS 35 N -0.30 -0.27 0.25 3.50 4.01 -1.26 -0.47 118.16 123.61 2awt n LYS 35 Ca -0.15 -1.63 -0.11 0.00 -0.51 0.00 0.00 58.31 55.91 2awt n LYS 35 Cb 0.64 -0.63 -0.05 0.00 -0.51 0.00 0.00 35.03 34.48 2awt n LYS 35 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2awt h ARG 36 N 0.00 -0.66 -3.92 1.97 3.08 -1.95 -3.38 114.38 109.52 2awt h ARG 36 Ca -0.25 0.05 -0.78 0.00 0.07 0.00 0.00 59.98 59.07 2awt h ARG 36 Cb 0.80 0.15 -0.25 0.00 0.08 0.00 0.00 29.97 30.75 2awt h ARG 36 CO 0.22 -0.44 0.68 -1.58 -1.07 0.00 0.00 179.97 177.78 2awt s HIS 37 N -3.80 4.03 -0.03 3.04 2.46 -1.26 -3.21 115.29 116.52 2awt s HIS 37 Ca -0.10 -2.49 -0.01 0.00 0.47 0.00 0.00 55.06 52.93 2awt s HIS 37 Cb 0.01 -3.97 0.03 0.00 -0.13 0.00 0.00 32.58 28.52 2awt s HIS 37 CO 0.30 -1.08 0.05 0.99 -2.47 0.00 0.00 174.74 172.53 2awt s THR 38 N -0.38 -0.05 -0.08 0.89 2.01 -1.26 -5.10 115.64 111.67 2awt s THR 38 Ca 0.33 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.21 2awt s THR 38 Cb -0.08 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 2awt s THR 38 CO -0.06 0.07 1.51 -2.16 -0.69 0.00 0.00 174.62 173.29 2awt s PRO 39 N 0.89 4.21 0.54 4.92 0.04 -1.26 -4.76 135.00 139.58 2awt s PRO 39 Ca -0.07 2.01 0.24 0.00 0.04 0.00 0.00 61.00 63.22 2awt s PRO 39 Cb -0.10 -3.87 1.33 0.00 0.04 0.00 0.00 34.50 31.90 2awt s PRO 39 CO -0.03 -0.78 1.72 -0.07 0.04 0.00 0.00 177.00 177.88 2awt h LEU 40 N 9.87 0.00 -0.80 -3.56 4.07 -1.90 -2.54 115.31 120.46 2awt h LEU 40 Ca -0.35 0.00 0.16 0.00 0.08 0.00 0.00 57.88 57.76 2awt h LEU 40 Cb 1.16 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 42.74 2awt h LEU 40 CO 0.95 0.00 -0.23 0.28 -1.08 0.00 0.00 178.44 178.36 2awt h SER 41 N 0.00 -0.85 -0.94 -0.43 0.02 -1.93 0.54 113.55 109.95 2awt h SER 41 Ca 0.00 0.25 0.19 0.00 -0.84 0.00 0.00 61.79 61.39 2awt h SER 41 Cb 0.59 0.53 -0.11 0.00 0.14 0.00 0.00 62.40 63.55 2awt h SER 41 CO 0.00 -0.27 0.52 0.11 -1.14 0.00 0.00 176.83 176.05 2awt h LYS 42 N -0.02 0.61 0.00 3.45 1.57 -1.86 0.40 116.57 120.72 2awt h LYS 42 Ca 0.37 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2awt h LYS 42 Cb 0.59 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2awt h LYS 42 CO -0.83 0.40 0.00 1.28 -0.57 0.00 0.00 179.45 179.73 2awt n LEU 43 N -4.87 0.19 -0.34 2.94 4.32 0.18 -3.00 117.00 116.42 2awt n LEU 43 Ca 0.22 0.68 0.26 0.00 -0.02 0.00 0.00 56.01 57.15 2awt n LEU 43 Cb 0.58 -0.44 0.51 0.00 -1.62 0.00 0.00 43.42 42.45 2awt n LEU 43 CO 0.19 -0.44 1.12 0.00 -1.22 0.00 0.00 177.39 177.04 2awt h MET 44 N 0.00 0.25 0.06 3.23 -0.00 -1.14 0.84 114.93 118.17 2awt h MET 44 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2awt h MET 44 Cb 0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 31.60 31.53 2awt h MET 44 CO 0.00 0.17 -0.19 0.87 -0.00 0.00 0.00 176.91 177.76 2awt h LYS 45 N 0.26 -0.27 -0.68 -0.10 1.79 -0.27 -0.34 116.57 116.96 2awt h LYS 45 Ca 0.76 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 59.24 2awt h LYS 45 Cb 1.83 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 32.51 2awt h LYS 45 CO -0.60 -0.18 0.42 0.00 -1.08 0.00 0.00 179.45 178.01 2awt h ALA 46 N -1.22 0.87 -0.50 3.86 0.00 -1.16 -2.05 119.26 119.05 2awt h ALA 46 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2awt h ALA 46 Cb 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2awt h ALA 46 CO -0.09 0.33 0.00 0.98 0.00 0.00 0.00 179.25 180.47 2awt n TYR 47 N -4.57 0.00 -0.24 0.00 9.36 0.18 -1.55 117.16 120.34 2awt n TYR 47 Ca 0.06 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.49 2awt n TYR 47 Cb 0.05 -0.42 0.56 0.00 -0.63 0.00 0.00 39.34 38.89 2awt n TYR 47 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2awt h GLU 49 N 0.32 0.30 0.00 0.00 4.57 -0.52 0.68 114.58 119.94 2awt h GLU 49 Ca 0.48 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 2awt h GLU 49 Cb 1.34 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2awt h GLU 49 CO -0.16 0.20 -1.25 2.89 -1.18 0.00 0.00 179.01 179.51 2awt n ARG 50 N -4.48 1.13 -2.54 1.92 1.85 0.45 -4.64 116.66 110.35 2awt n ARG 50 Ca 0.21 -0.08 -0.20 0.00 -1.00 0.00 0.00 57.85 56.78 2awt n ARG 50 Cb 0.81 -1.20 0.01 0.00 -1.05 0.00 0.00 32.46 31.03 2awt n ARG 50 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2awt n GLN 51 N -1.72 2.60 -1.62 2.89 1.13 0.12 -4.97 117.38 115.80 2awt n GLN 51 Ca -0.01 -4.05 -0.41 0.00 -1.94 0.00 0.00 57.00 50.58 2awt n GLN 51 Cb 0.26 -1.88 -0.01 0.00 0.11 0.00 0.00 30.24 28.71 2awt n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2awt n GLY 52 N -0.33 4.28 0.13 1.08 0.00 0.23 -4.50 105.19 106.09 2awt n GLY 52 Ca 0.28 -1.55 -0.22 0.00 0.00 0.00 0.00 46.02 44.53 2awt n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2awt h LEU 53 N 9.72 0.37 -5.11 0.99 3.38 -1.93 -3.45 115.31 119.28 2awt h LEU 53 Ca 0.61 -0.89 -0.18 0.00 0.09 0.00 0.00 57.88 57.52 2awt h LEU 53 Cb 0.58 -0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.04 2awt h LEU 53 CO 1.87 1.80 -0.52 -0.44 0.09 0.00 0.00 178.44 181.24 2awt s SER 54 N -7.03 -1.27 0.64 -0.43 0.01 -1.26 -4.91 113.70 99.45 2awt s SER 54 Ca -0.23 -1.80 0.38 0.00 1.31 0.00 0.00 55.95 55.60 2awt s SER 54 Cb 0.06 1.75 2.10 0.00 0.21 0.00 0.00 66.02 70.15 2awt s SER 54 CO 0.75 -0.06 2.25 0.00 0.41 0.00 0.00 173.24 176.59 2awt h MET 55 N 5.09 0.00 -0.63 12.44 -0.00 -1.90 0.34 114.93 130.26 2awt h MET 55 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.77 2awt h MET 55 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.70 2awt h MET 55 CO 0.03 0.00 0.00 -2.13 -0.00 0.00 0.00 176.91 174.81 2awt n ARG 56 N -3.30 3.26 0.00 -0.10 0.63 -1.26 -4.38 116.66 111.51 2awt n ARG 56 Ca -0.02 -2.31 0.00 0.00 -0.92 0.00 0.00 57.85 54.59 2awt n ARG 56 Cb 0.15 -1.79 0.00 0.00 0.45 0.00 0.00 32.46 31.27 2awt n ARG 56 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2awt n GLN 57 N 0.85 0.00 -1.71 -0.14 7.27 0.88 -5.07 117.38 119.46 2awt n GLN 57 Ca 0.21 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.86 2awt n GLN 57 Cb 0.76 -0.26 -0.03 0.00 2.41 0.00 0.00 30.24 33.12 2awt n GLN 57 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2awt s ILE 58 N -1.81 2.20 0.37 1.69 1.01 0.66 -4.79 121.20 120.53 2awt s ILE 58 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 2awt s ILE 58 Cb 0.00 -3.00 0.02 0.00 0.01 0.00 0.00 42.46 39.49 2awt s ILE 58 CO 0.00 0.00 0.59 0.54 0.00 0.00 0.00 174.94 176.07 2awt n ARG 59 N 4.70 0.85 -4.22 2.79 5.12 -1.26 -4.91 116.66 119.74 2awt n ARG 59 Ca 0.17 -2.70 -0.34 0.00 -1.93 0.00 0.00 57.85 53.05 2awt n ARG 59 Cb 0.36 2.79 -0.11 0.00 -1.16 0.00 0.00 32.46 34.34 2awt n ARG 59 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2awt s PHE 60 N -2.64 3.15 -0.16 -1.55 0.08 -1.26 -2.49 117.98 113.11 2awt s PHE 60 Ca 0.26 -0.07 -0.07 0.00 0.12 0.00 0.00 56.93 57.17 2awt s PHE 60 Cb -0.02 -1.99 0.06 0.00 -0.57 0.00 0.00 43.02 40.50 2awt s PHE 60 CO 0.19 0.12 0.35 1.03 -0.10 0.00 0.00 175.22 176.81 2awt s ARG 61 N 0.20 0.30 0.24 0.44 0.52 -0.94 -3.65 118.95 116.05 2awt s ARG 61 Ca 0.01 0.78 0.07 0.00 -0.52 0.00 0.00 55.73 56.07 2awt s ARG 61 Cb -0.13 0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.33 2awt s ARG 61 CO 0.02 -0.20 0.18 0.12 0.02 0.00 0.00 175.30 175.43 2awt s PHE 62 N 1.81 3.10 -1.27 -0.53 5.36 -1.18 -0.77 117.98 124.49 2awt s PHE 62 Ca -0.06 -0.10 -0.08 0.00 -0.96 0.00 0.00 56.93 55.73 2awt s PHE 62 Cb -0.10 -1.41 -0.08 0.00 -0.34 0.00 0.00 43.02 41.09 2awt s PHE 62 CO -0.11 0.52 2.59 -0.25 -1.46 0.00 0.00 175.22 176.52 2awt n ASP 63 N -1.01 6.99 0.00 6.13 8.00 -1.26 -3.04 116.55 132.35 2awt n ASP 63 Ca -0.08 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 52.97 2awt n ASP 63 Cb 0.57 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 2awt n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2awt n GLY 64 N 3.63 0.05 3.53 0.44 0.00 -1.26 -5.16 105.19 106.42 2awt n GLY 64 Ca 0.63 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.55 2awt n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2awt s GLN 65 N -0.62 0.71 1.20 1.61 -0.21 -1.17 -5.18 119.66 116.00 2awt s GLN 65 Ca 0.00 -0.27 -0.19 0.00 0.02 0.00 0.00 55.36 54.92 2awt s GLN 65 Cb 0.00 0.33 0.28 0.00 1.00 0.00 0.00 33.01 34.62 2awt s GLN 65 CO 0.00 -0.31 1.11 -1.25 -2.12 0.00 0.00 175.29 172.72 2awt s PRO 66 N -2.97 -1.20 -0.07 2.91 0.04 -1.26 -3.12 135.00 129.33 2awt s PRO 66 Ca 0.06 -0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.05 2awt s PRO 66 Cb -0.01 -1.60 0.02 0.00 0.04 0.00 0.00 34.50 32.95 2awt s PRO 66 CO -0.08 -3.70 -0.07 0.42 0.04 0.00 0.00 177.00 173.62 2awt s ILE 67 N -3.00 0.79 0.09 0.56 -1.09 -1.24 -4.83 121.20 112.48 2awt s ILE 67 Ca 0.71 -0.22 0.01 0.00 -2.23 0.00 0.00 60.65 58.92 2awt s ILE 67 Cb -0.10 -0.80 -0.04 0.00 -1.58 0.00 0.00 42.46 39.94 2awt s ILE 67 CO 0.56 0.30 0.22 0.20 -1.23 0.00 0.00 174.94 174.99 2awt s ASN 68 N 1.20 6.31 0.43 3.58 0.01 -1.26 -4.84 114.94 120.38 2awt s ASN 68 Ca -0.06 0.23 0.14 0.00 -0.71 0.00 0.00 52.86 52.46 2awt s ASN 68 Cb -0.14 -1.92 1.02 0.00 0.41 0.00 0.00 41.25 40.62 2awt s ASN 68 CO -0.02 0.14 1.98 1.05 -1.51 0.00 0.00 177.10 178.74 2awt h GLU 69 N 2.83 0.41 -0.97 -0.60 4.11 -2.00 0.36 114.58 118.71 2awt h GLU 69 Ca -0.46 -0.02 -0.39 0.00 0.07 0.00 0.00 59.36 58.56 2awt h GLU 69 Cb 1.17 -0.09 -0.23 0.00 0.50 0.00 0.00 28.75 30.10 2awt h GLU 69 CO 0.73 0.27 0.49 -2.37 0.07 0.00 0.00 179.01 178.20 2awt n THR 70 N -4.47 2.77 -4.93 -1.06 5.66 -1.26 -4.88 114.28 106.10 2awt n THR 70 Ca 0.10 -1.54 -0.33 0.00 -3.05 0.00 0.00 64.05 59.23 2awt n THR 70 Cb 0.36 -0.54 -0.13 0.00 -1.55 0.00 0.00 70.33 68.47 2awt n THR 70 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2awt s ASP 71 N -0.87 3.92 0.26 1.09 -1.08 0.11 -5.13 116.67 114.97 2awt s ASP 71 Ca 0.47 -0.23 0.10 0.00 -0.52 0.00 0.00 52.55 52.36 2awt s ASP 71 Cb 0.39 -0.82 -0.04 0.00 -1.46 0.00 0.00 42.92 40.99 2awt s ASP 71 CO 0.09 0.34 -0.02 0.42 0.52 0.00 0.00 175.17 176.52 2awt s THR 72 N -0.68 3.37 0.19 1.71 -4.23 -1.26 -4.79 115.64 109.94 2awt s THR 72 Ca 0.10 -1.93 0.27 0.00 -1.18 0.00 0.00 61.69 58.96 2awt s THR 72 Cb -0.11 -2.79 0.28 0.00 1.34 0.00 0.00 72.50 71.23 2awt s THR 72 CO 0.01 -0.36 1.92 1.55 -0.54 0.00 0.00 174.62 177.19 2awt h PRO 73 N 1.98 0.00 0.00 3.99 0.13 -1.86 -2.77 132.00 133.47 2awt h PRO 73 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 2awt h PRO 73 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2awt h PRO 73 CO 0.60 0.15 -0.50 0.00 -0.23 0.00 0.00 178.00 178.02 2awt h ALA 74 N 1.85 0.88 -0.64 -0.56 0.00 -1.85 -2.70 119.26 116.24 2awt h ALA 74 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2awt h ALA 74 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2awt h ALA 74 CO 0.02 0.63 0.00 1.04 0.00 0.00 0.00 179.25 180.94 2awt n GLN 75 N -3.53 2.76 0.00 0.00 6.02 -1.05 -3.96 117.38 117.61 2awt n GLN 75 Ca -0.00 -2.41 0.00 0.00 -0.01 0.00 0.00 57.00 54.58 2awt n GLN 75 Cb 0.60 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.27 2awt n GLN 75 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2awt n LEU 76 N 1.31 0.52 -3.93 1.08 4.32 -1.11 -4.95 117.00 114.25 2awt n LEU 76 Ca 0.22 -0.65 -0.29 0.00 -0.02 0.00 0.00 56.01 55.27 2awt n LEU 76 Cb 0.62 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.43 2awt n LEU 76 CO 0.17 0.13 0.02 -0.62 -1.22 0.00 0.00 177.39 175.86 2awt n GLU 77 N -0.26 -4.81 -3.21 3.23 1.02 -1.04 -4.90 120.64 110.68 2awt n GLU 77 Ca 0.00 0.55 -0.37 0.00 -0.02 0.00 0.00 57.16 57.32 2awt n GLU 77 Cb 0.04 -5.26 -0.03 0.00 -0.02 0.00 0.00 31.44 26.17 2awt n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2awt n MET 78 N -4.53 3.64 -1.32 3.49 0.00 -1.17 -5.01 117.12 112.23 2awt n MET 78 Ca -0.06 -4.59 0.00 0.00 0.00 0.00 0.00 57.70 53.05 2awt n MET 78 Cb 0.57 -2.42 0.00 0.00 0.00 0.00 0.00 33.22 31.37 2awt n MET 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2awt n GLU 79 N 1.26 2.17 -3.02 3.17 1.02 -1.26 -4.57 120.64 119.41 2awt n GLU 79 Ca 0.27 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.29 2awt n GLU 79 Cb 0.36 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.85 2awt n GLU 79 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2awt n ASP 80 N -0.91 -2.10 -3.00 1.62 2.03 -1.26 -3.29 116.55 109.64 2awt n ASP 80 Ca 0.00 -0.45 -0.17 0.00 0.52 0.00 0.00 54.79 54.70 2awt n ASP 80 Cb 0.00 -3.82 0.07 0.00 -0.72 0.00 0.00 41.12 36.65 2awt n ASP 80 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2awt n GLU 81 N -3.23 -5.98 -2.26 -0.67 1.02 -1.23 -4.95 120.64 103.34 2awt n GLU 81 Ca -0.20 0.68 -0.41 0.00 -0.02 0.00 0.00 57.16 57.21 2awt n GLU 81 Cb 0.62 -5.25 -0.03 0.00 -0.02 0.00 0.00 31.44 26.76 2awt n GLU 81 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2awt s ASP 82 N -3.66 6.95 -0.36 1.62 2.15 -1.15 -4.73 116.67 117.49 2awt s ASP 82 Ca 0.25 2.38 -0.10 0.00 0.43 0.00 0.00 52.55 55.51 2awt s ASP 82 Cb -0.11 -2.61 0.02 0.00 -0.30 0.00 0.00 42.92 39.92 2awt s ASP 82 CO 0.59 -0.47 0.19 -0.89 -0.17 0.00 0.00 175.17 174.42 2awt s THR 83 N -0.10 4.50 -0.40 1.71 2.01 -1.26 -0.02 115.64 122.08 2awt s THR 83 Ca 0.54 -0.81 -0.16 0.00 0.31 0.00 0.00 61.69 61.58 2awt s THR 83 Cb -0.36 -3.47 0.01 0.00 0.01 0.00 0.00 72.50 68.69 2awt s THR 83 CO 0.39 -0.18 0.37 -0.63 -0.69 0.00 0.00 174.62 173.88 2awt s ILE 84 N 1.55 5.17 -0.07 1.82 1.09 -0.30 -4.70 121.20 125.77 2awt s ILE 84 Ca 0.02 -0.39 -0.29 0.00 -1.10 0.00 0.00 60.65 58.89 2awt s ILE 84 Cb -0.19 -3.95 -0.08 0.00 -1.06 0.00 0.00 42.46 37.19 2awt s ILE 84 CO 0.06 -0.31 2.08 0.47 -0.10 0.00 0.00 174.94 177.13 2awt n ASP 85 N 5.39 3.80 -4.91 3.58 8.00 0.05 -3.61 116.55 128.86 2awt n ASP 85 Ca -0.09 0.63 -0.31 0.00 0.71 0.00 0.00 54.79 55.73 2awt n ASP 85 Cb 0.48 -1.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.00 2awt n ASP 85 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2awt s VAL 86 N 5.99 5.23 0.14 2.53 0.11 -1.18 -2.21 120.40 131.01 2awt s VAL 86 Ca 0.94 -0.14 -0.08 0.00 -2.93 0.00 0.00 61.98 59.77 2awt s VAL 86 Cb -0.40 -3.64 -0.06 0.00 -1.53 0.00 0.00 36.38 30.74 2awt s VAL 86 CO 0.40 0.03 0.44 0.12 -3.33 0.00 0.00 175.10 172.75 2awt s PHE 87 N -1.66 3.50 0.03 1.54 2.19 -1.04 -3.41 117.98 119.13 2awt s PHE 87 Ca 0.39 0.75 -0.20 0.00 0.33 0.00 0.00 56.93 58.19 2awt s PHE 87 Cb -0.12 -2.14 0.04 0.00 -1.31 0.00 0.00 43.02 39.49 2awt s PHE 87 CO 0.26 0.42 0.46 -1.14 1.83 0.00 0.00 175.22 177.05 2awt s GLN 88 N -2.41 0.94 -0.18 10.12 0.74 -1.26 -4.12 119.66 123.48 2awt s GLN 88 Ca 0.40 -0.24 0.16 0.00 0.05 0.00 0.00 55.36 55.73 2awt s GLN 88 Cb -0.13 0.42 0.43 0.00 1.10 0.00 0.00 33.01 34.84 2awt s GLN 88 CO 0.21 -0.32 1.32 0.94 -0.55 0.00 0.00 175.29 176.89 2awt n GLN 89 N 0.61 2.08 -3.68 1.67 7.27 -1.26 -4.97 117.38 119.11 2awt n GLN 89 Ca -0.19 -2.84 -0.06 0.00 0.07 0.00 0.00 57.00 53.98 2awt n GLN 89 Cb 0.59 -1.70 -0.02 0.00 2.41 0.00 0.00 30.24 31.52 2awt n GLN 89 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2awt s GLN 90 N -2.94 1.20 -0.22 3.69 0.74 -1.26 -5.00 119.66 115.86 2awt s GLN 90 Ca 0.39 -0.60 -0.20 0.00 0.05 0.00 0.00 55.36 54.99 2awt s GLN 90 Cb 0.33 0.45 -0.02 0.00 1.10 0.00 0.00 33.01 34.87 2awt s GLN 90 CO 0.04 -0.54 0.61 -0.08 -0.55 0.00 0.00 175.29 174.77 2awt s THR 91 N -3.38 5.01 -0.04 -0.34 -1.32 -1.26 -4.78 115.64 109.53 2awt s THR 91 Ca 0.09 1.13 0.07 0.00 -1.21 0.00 0.00 61.69 61.77 2awt s THR 91 Cb -0.02 -3.93 -0.10 0.00 -1.51 0.00 0.00 72.50 66.94 2awt s THR 91 CO -0.01 0.08 0.09 0.61 -2.21 0.00 0.00 174.62 173.18 2awt n GLY 92 N 3.98 -0.35 0.00 6.08 0.00 -1.25 -5.09 105.19 108.56 2awt n GLY 92 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2awt n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2awt n GLY 93 N 2.34 0.88 3.19 -0.02 0.00 0.52 -5.02 105.19 107.08 2awt n GLY 93 Ca -0.07 0.41 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 2awt n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2awt s VAL 94 N 2.08 0.75 -2.92 1.61 -7.23 0.66 -4.78 120.40 110.57 2awt s VAL 94 Ca 0.00 -1.96 0.23 0.00 -1.81 0.00 0.00 61.98 58.44 2awt s VAL 94 Cb 0.00 -1.79 0.19 0.00 0.56 0.00 0.00 36.38 35.34 2awt s VAL 94 CO 0.00 -0.78 1.24 0.00 -0.31 0.00 0.00 175.10 175.25