#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 0.75 -0.28 -5.12 0.00 -1.26 -5.09 121.76 110.77 2awt s ALA 2 Ca 0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 2awt s ALA 2 Cb 0.00 -2.99 0.12 0.00 0.00 0.00 0.00 23.12 20.25 2awt s ALA 2 CO 0.00 -3.26 0.89 0.16 0.00 0.00 0.00 175.76 173.56 2awt s ASP 3 N -3.71 -0.63 0.40 0.00 -4.77 -1.26 -5.17 116.67 101.53 2awt s ASP 3 Ca 0.68 1.07 0.01 0.00 -3.30 0.00 0.00 52.55 51.01 2awt s ASP 3 Cb -0.14 1.20 -0.02 0.00 -1.09 0.00 0.00 42.92 42.88 2awt s ASP 3 CO 0.57 -0.17 0.61 -1.61 0.70 0.00 0.00 175.17 175.27 2awt s GLU 4 N 1.07 3.24 -0.42 2.11 8.01 -1.26 -5.07 118.70 126.38 2awt s GLU 4 Ca -0.06 -0.45 0.07 0.00 0.01 0.00 0.00 54.97 54.55 2awt s GLU 4 Cb -0.04 -2.61 0.24 0.00 -4.31 0.00 0.00 34.13 27.41 2awt s GLU 4 CO -0.13 -0.08 0.59 1.63 0.01 0.00 0.00 175.26 177.28 2awt n LYS 5 N -1.94 0.69 -2.16 1.61 5.02 -1.26 -5.11 118.16 115.01 2awt n LYS 5 Ca -0.01 -2.87 -0.42 0.00 -2.02 0.00 0.00 58.31 52.99 2awt n LYS 5 Cb 0.57 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 34.25 2awt n LYS 5 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2awt s PRO 6 N -0.65 4.21 0.00 1.97 0.04 -1.26 -4.85 135.00 134.47 2awt s PRO 6 Ca 0.34 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2awt s PRO 6 Cb 0.17 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.88 2awt s PRO 6 CO -0.15 -0.75 0.00 0.36 0.04 0.00 0.00 177.00 176.50 2awt n LYS 7 N 6.61 1.32 -1.77 4.56 2.85 -1.26 -5.07 118.16 125.40 2awt n LYS 7 Ca 0.16 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.12 2awt n LYS 7 Cb 0.43 -0.91 0.06 0.00 -0.65 0.00 0.00 35.03 33.96 2awt n LYS 7 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2awt s GLU 8 N -1.83 2.56 0.00 -1.58 -1.05 -1.26 -5.03 118.70 110.51 2awt s GLU 8 Ca 0.00 0.50 0.00 0.00 -0.15 0.00 0.00 54.97 55.32 2awt s GLU 8 Cb 0.00 -1.98 0.00 0.00 -0.44 0.00 0.00 34.13 31.71 2awt s GLU 8 CO 0.00 -1.26 0.00 0.41 0.95 0.00 0.00 175.26 175.36 2awt n GLY 9 N -2.72 0.80 3.24 -3.83 0.00 -1.26 -5.18 105.19 96.25 2awt n GLY 9 Ca 0.07 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 2awt n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2awt s VAL 10 N 0.00 -0.00 0.13 1.61 1.01 -1.26 -5.16 120.40 116.73 2awt s VAL 10 Ca 0.00 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 2awt s VAL 10 Cb 0.00 -0.50 0.07 0.00 0.00 0.00 0.00 36.38 35.95 2awt s VAL 10 CO 0.00 0.00 0.78 -0.75 0.00 0.00 0.00 175.10 175.13 2awt s LYS 11 N 0.28 1.20 -0.01 2.72 2.47 -1.26 -5.17 119.74 119.97 2awt s LYS 11 Ca -0.01 -0.54 0.01 0.00 -1.56 0.00 0.00 55.97 53.88 2awt s LYS 11 Cb -0.03 0.49 0.01 0.00 -1.46 0.00 0.00 37.83 36.84 2awt s LYS 11 CO -0.00 -0.54 -0.03 0.95 0.16 0.00 0.00 175.35 175.89 2awt s THR 12 N -3.49 0.28 0.01 3.43 -4.23 -1.26 -5.13 115.64 105.26 2awt s THR 12 Ca 0.06 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 2awt s THR 12 Cb -0.02 -0.27 -0.00 0.00 1.34 0.00 0.00 72.50 73.55 2awt s THR 12 CO -0.06 0.10 0.02 -0.62 -0.54 0.00 0.00 174.62 173.52 2awt n GLU 13 N 3.31 0.02 0.00 3.99 4.71 -1.26 -5.04 120.64 126.38 2awt n GLU 13 Ca -0.17 -0.14 0.13 0.00 -0.01 0.00 0.00 57.16 56.98 2awt n GLU 13 Cb 0.56 0.12 0.38 0.00 -1.01 0.00 0.00 31.44 31.49 2awt n GLU 13 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 2awt n ASN 14 N -2.59 1.88 -3.01 1.62 2.85 -1.26 -4.92 115.26 109.84 2awt n ASN 14 Ca 0.00 -1.59 -0.07 0.00 -0.11 0.00 0.00 54.58 52.82 2awt n ASN 14 Cb 0.03 0.03 0.02 0.00 1.24 0.00 0.00 39.78 41.09 2awt n ASN 14 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2awt n ASN 15 N 0.42 0.79 -4.89 1.20 4.13 -1.26 -5.11 115.26 110.54 2awt n ASN 15 Ca 0.17 -1.54 -0.29 0.00 1.68 0.00 0.00 54.58 54.60 2awt n ASN 15 Cb 0.42 -0.14 -0.02 0.00 -1.54 0.00 0.00 39.78 38.50 2awt n ASN 15 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2awt s ASP 16 N -2.23 6.44 -0.33 6.41 1.01 -1.26 -5.01 116.67 121.70 2awt s ASP 16 Ca 0.20 1.01 -0.00 0.00 0.71 0.00 0.00 52.55 54.47 2awt s ASP 16 Cb -0.02 -2.27 0.14 0.00 1.01 0.00 0.00 42.92 41.78 2awt s ASP 16 CO 0.13 -0.41 0.26 -1.00 0.21 0.00 0.00 175.17 174.36 2awt s HIS 17 N -2.41 0.05 0.07 4.23 3.76 -1.26 -3.87 115.29 115.85 2awt s HIS 17 Ca 0.49 -0.88 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 2awt s HIS 17 Cb -0.10 -0.65 0.01 0.00 1.11 0.00 0.00 32.58 32.94 2awt s HIS 17 CO 0.34 -0.89 0.09 0.44 -0.85 0.00 0.00 174.74 173.87 2awt n ILE 18 N 4.67 0.00 -4.25 0.60 -5.35 0.83 -4.96 119.36 110.90 2awt n ILE 18 Ca 0.05 -0.20 -0.17 0.00 -0.27 0.00 0.00 62.75 62.16 2awt n ILE 18 Cb 0.43 -1.05 -0.15 0.00 -1.74 0.00 0.00 39.64 37.13 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 -1.40 0.83 0.07 7.28 2.47 -1.26 -3.30 114.94 119.63 2awt s ASN 19 Ca 0.07 -0.13 0.01 0.00 0.42 0.00 0.00 52.86 53.23 2awt s ASN 19 Cb -0.00 -0.11 -0.03 0.00 -1.45 0.00 0.00 41.25 39.65 2awt s ASN 19 CO 0.04 0.08 -0.06 -0.76 -3.72 0.00 0.00 177.10 172.68 2awt s LEU 20 N -0.12 2.41 -0.17 3.21 2.01 -0.86 -3.20 118.68 121.96 2awt s LEU 20 Ca 0.02 -0.82 -0.04 0.00 0.01 0.00 0.00 54.13 53.30 2awt s LEU 20 Cb -0.03 -0.03 0.06 0.00 0.01 0.00 0.00 46.19 46.19 2awt s LEU 20 CO -0.00 -0.40 0.07 -0.54 1.01 0.00 0.00 176.35 176.49 2awt s LYS 21 N -2.97 0.25 -0.49 1.70 1.02 0.17 -1.48 119.74 117.95 2awt s LYS 21 Ca 0.02 -0.16 -0.21 0.00 0.02 0.00 0.00 55.97 55.64 2awt s LYS 21 Cb -0.00 -1.82 0.04 0.00 -0.52 0.00 0.00 37.83 35.53 2awt s LYS 21 CO -0.04 -0.63 0.71 0.08 -0.92 0.00 0.00 175.35 174.55 2awt s VAL 22 N 2.05 4.74 0.06 3.17 1.01 0.89 -0.06 120.40 132.26 2awt s VAL 22 Ca 0.01 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.02 2awt s VAL 22 Cb -0.16 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 2awt s VAL 22 CO -0.08 -0.79 -0.22 0.00 0.00 0.00 0.00 175.10 174.01 2awt s ALA 23 N 3.01 1.85 0.01 5.51 0.00 -1.09 -0.07 121.76 130.98 2awt s ALA 23 Ca 0.22 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 2awt s ALA 23 Cb -0.15 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 2awt s ALA 23 CO 0.17 0.41 0.35 0.20 0.00 0.00 0.00 175.76 176.88 2awt s GLY 24 N -1.35 2.35 0.66 0.00 0.00 -0.39 -1.69 107.32 106.90 2awt s GLY 24 Ca 0.08 -0.39 0.42 0.00 0.00 0.00 0.00 44.72 44.83 2awt s GLY 24 CO 0.02 -0.11 2.31 -1.61 0.00 0.00 0.00 173.10 173.71 2awt h GLN 25 N 4.30 0.00 0.00 2.90 4.15 -0.79 -3.12 115.11 122.55 2awt h GLN 25 Ca -0.51 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.91 2awt h GLN 25 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2awt h GLN 25 CO 0.63 0.00 0.00 -0.40 -1.93 0.00 0.00 178.83 177.13 2awt n ASP 26 N -3.13 0.00 -2.69 -0.69 5.68 -1.26 -4.93 116.55 109.53 2awt n ASP 26 Ca -0.03 0.33 -0.06 0.00 -0.50 0.00 0.00 54.79 54.53 2awt n ASP 26 Cb 0.11 -0.33 0.08 0.00 -1.14 0.00 0.00 41.12 39.85 2awt n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2awt n GLY 27 N 2.17 0.54 3.32 6.12 0.00 -1.20 -4.99 105.19 111.16 2awt n GLY 27 Ca 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 2awt n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2awt s SER 28 N -0.86 2.52 -0.30 1.61 0.15 -1.18 -4.25 113.70 111.39 2awt s SER 28 Ca 0.16 -0.93 -0.15 0.00 0.70 0.00 0.00 55.95 55.74 2awt s SER 28 Cb 0.29 -0.13 0.18 0.00 -1.71 0.00 0.00 66.02 64.64 2awt s SER 28 CO -0.07 -0.12 1.09 0.54 1.20 0.00 0.00 173.24 175.88 2awt s VAL 29 N -2.50 -0.31 0.04 4.45 0.11 -1.25 -1.27 120.40 119.68 2awt s VAL 29 Ca 0.18 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.25 2awt s VAL 29 Cb -0.03 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 2awt s VAL 29 CO 0.06 0.00 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.05 2awt s VAL 30 N 2.68 0.64 -0.04 2.04 1.01 0.90 -4.94 120.40 122.68 2awt s VAL 30 Ca -0.02 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 60.93 2awt s VAL 30 Cb -0.07 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2awt s VAL 30 CO -0.13 -0.33 -0.16 0.00 0.00 0.00 0.00 175.10 174.47 2awt s GLN 31 N -1.54 2.41 0.22 2.72 -2.07 -1.26 -0.07 119.66 120.07 2awt s GLN 31 Ca -0.08 -0.75 -0.11 0.00 -1.82 0.00 0.00 55.36 52.60 2awt s GLN 31 Cb -0.10 -2.31 -0.01 0.00 -1.09 0.00 0.00 33.01 29.50 2awt s GLN 31 CO 0.01 0.61 0.40 -0.06 -1.32 0.00 0.00 175.29 174.92 2awt s PHE 32 N -0.73 0.43 0.09 9.60 0.40 -0.55 -4.99 117.98 122.23 2awt s PHE 32 Ca 0.11 -0.77 0.10 0.00 -0.60 0.00 0.00 56.93 55.77 2awt s PHE 32 Cb -0.10 0.06 -0.03 0.00 0.51 0.00 0.00 43.02 43.45 2awt s PHE 32 CO 0.01 -0.89 -0.26 0.15 0.70 0.00 0.00 175.22 174.93 2awt s LYS 33 N -4.01 1.54 0.18 0.44 1.02 -1.26 -2.04 119.74 115.60 2awt s LYS 33 Ca 0.22 -1.20 -0.17 0.00 0.02 0.00 0.00 55.97 54.84 2awt s LYS 33 Cb 0.01 -1.85 0.03 0.00 -0.52 0.00 0.00 37.83 35.50 2awt s LYS 33 CO 0.07 0.46 0.50 -1.50 -0.92 0.00 0.00 175.35 173.96 2awt s ILE 34 N -0.94 0.03 0.33 2.17 2.07 -1.21 -4.98 121.20 118.67 2awt s ILE 34 Ca 0.12 -0.70 -0.01 0.00 -1.41 0.00 0.00 60.65 58.65 2awt s ILE 34 Cb -0.10 -1.47 0.07 0.00 0.13 0.00 0.00 42.46 41.09 2awt s ILE 34 CO 0.04 -0.15 0.45 0.29 -1.91 0.00 0.00 174.94 173.66 2awt n LYS 35 N -0.32 0.14 0.00 3.50 4.01 -1.26 -0.12 118.16 124.12 2awt n LYS 35 Ca -0.12 -1.10 0.00 0.00 -0.51 0.00 0.00 58.31 56.59 2awt n LYS 35 Cb 0.63 -0.34 0.00 0.00 -0.51 0.00 0.00 35.03 34.81 2awt n LYS 35 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2awt n ARG 36 N -1.86 0.00 -2.98 1.97 0.63 -1.25 -4.36 116.66 108.81 2awt n ARG 36 Ca 0.07 0.31 -0.44 0.00 -0.92 0.00 0.00 57.85 56.86 2awt n ARG 36 Cb 0.25 -1.10 -0.01 0.00 0.45 0.00 0.00 32.46 32.04 2awt n ARG 36 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2awt s HIS 37 N -1.58 3.41 -0.04 -0.14 5.04 -1.26 -4.14 115.29 116.58 2awt s HIS 37 Ca 0.00 -1.87 0.03 0.00 -1.54 0.00 0.00 55.06 51.69 2awt s HIS 37 Cb 0.00 -4.25 0.00 0.00 0.04 0.00 0.00 32.58 28.37 2awt s HIS 37 CO 0.00 -1.39 -0.14 0.99 -2.34 0.00 0.00 174.74 171.87 2awt s THR 38 N 1.78 1.19 -0.32 0.89 2.01 -1.26 -5.10 115.64 114.83 2awt s THR 38 Ca 0.37 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 2awt s THR 38 Cb -0.04 -1.05 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 2awt s THR 38 CO -0.05 0.36 1.68 -2.16 -0.69 0.00 0.00 174.62 173.76 2awt s PRO 39 N 0.23 3.49 0.63 4.92 0.04 -1.26 -4.80 135.00 138.25 2awt s PRO 39 Ca -0.06 1.39 0.28 0.00 0.04 0.00 0.00 61.00 62.64 2awt s PRO 39 Cb -0.12 -4.12 1.46 0.00 0.04 0.00 0.00 34.50 31.76 2awt s PRO 39 CO 0.02 -1.67 1.85 -0.07 0.04 0.00 0.00 177.00 177.17 2awt h LEU 40 N 12.91 0.00 -0.35 -3.56 4.07 -1.93 -2.44 115.31 124.02 2awt h LEU 40 Ca -0.32 0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.68 2awt h LEU 40 Cb 1.15 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.81 2awt h LEU 40 CO 1.03 0.00 -0.54 0.28 -1.08 0.00 0.00 178.44 178.14 2awt h SER 41 N 0.00 -1.78 -0.92 -0.43 0.02 -1.94 0.40 113.55 108.90 2awt h SER 41 Ca 0.10 0.23 0.25 0.00 -0.84 0.00 0.00 61.79 61.54 2awt h SER 41 Cb 1.01 0.73 -0.05 0.00 0.14 0.00 0.00 62.40 64.23 2awt h SER 41 CO -0.00 -0.42 0.64 0.07 -1.14 0.00 0.00 176.83 175.98 2awt h LYS 42 N -0.43 0.13 0.24 3.45 2.10 -1.85 0.24 116.57 120.45 2awt h LYS 42 Ca 0.07 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.70 2awt h LYS 42 Cb 0.62 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 2awt h LYS 42 CO -0.56 0.09 -0.12 1.25 -2.00 0.00 0.00 179.45 178.11 2awt h LEU 43 N 0.13 -0.27 -0.86 7.07 5.85 -0.49 -3.07 115.31 123.67 2awt h LEU 43 Ca 0.46 0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.33 2awt h LEU 43 Cb 1.58 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.59 2awt h LEU 43 CO -0.07 0.04 0.46 0.00 -0.34 0.00 0.00 178.44 178.53 2awt h MET 44 N -0.79 0.65 -0.22 1.25 -0.00 -0.28 -1.74 114.93 113.80 2awt h MET 44 Ca -0.03 -0.04 0.06 0.00 -0.00 0.00 0.00 59.70 59.69 2awt h MET 44 Cb 0.25 -0.15 -0.07 0.00 -0.00 0.00 0.00 31.60 31.63 2awt h MET 44 CO 0.05 0.43 -0.27 -0.22 -0.00 0.00 0.00 176.91 176.91 2awt h LYS 45 N 0.67 -0.27 0.21 -0.10 3.64 -0.64 0.77 116.57 120.85 2awt h LYS 45 Ca 0.47 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.86 2awt h LYS 45 Cb 0.63 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2awt h LYS 45 CO -0.35 -0.18 -0.11 0.00 -2.27 0.00 0.00 179.45 176.54 2awt h ALA 46 N 0.70 -0.30 -0.43 5.00 0.00 -1.24 -2.67 119.26 120.32 2awt h ALA 46 Ca 0.13 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.07 2awt h ALA 46 Cb 0.49 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 2awt h ALA 46 CO -0.39 -0.67 -0.16 -0.92 0.00 0.00 0.00 179.25 177.11 2awt h TYR 47 N -0.30 -0.39 -0.64 0.00 3.20 -0.91 -1.03 116.97 116.90 2awt h TYR 47 Ca -0.02 0.04 0.13 0.00 3.14 0.00 0.00 58.73 62.02 2awt h TYR 47 Cb 0.24 0.24 -0.09 0.00 1.54 0.00 0.00 36.73 38.66 2awt h TYR 47 CO -0.07 -0.25 0.12 0.00 -1.64 0.00 0.00 178.16 176.32 2awt h GLU 49 N 0.24 0.66 0.00 0.00 4.81 -0.85 0.37 114.58 119.82 2awt h GLU 49 Ca 0.34 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2awt h GLU 49 Cb 0.54 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2awt h GLU 49 CO -0.45 0.44 0.00 -2.13 -0.73 0.00 0.00 179.01 176.14 2awt n ARG 50 N -4.83 0.00 -3.47 1.92 3.00 0.04 -4.57 116.66 108.75 2awt n ARG 50 Ca 0.23 0.28 -0.27 0.00 -0.00 0.00 0.00 57.85 58.09 2awt n ARG 50 Cb 0.58 -1.11 -0.09 0.00 0.00 0.00 0.00 32.46 31.84 2awt n ARG 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2awt n GLN 51 N -1.35 1.89 -2.55 -0.14 6.02 -0.97 -5.00 117.38 115.27 2awt n GLN 51 Ca 0.00 -4.27 -0.43 0.00 -0.01 0.00 0.00 57.00 52.29 2awt n GLN 51 Cb 0.00 -2.03 0.00 0.00 1.02 0.00 0.00 30.24 29.23 2awt n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2awt n GLY 52 N 1.31 4.29 0.29 1.08 0.00 0.13 -4.55 105.19 107.74 2awt n GLY 52 Ca 0.26 -2.07 0.07 0.00 0.00 0.00 0.00 46.02 44.29 2awt n GLY 52 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2awt n LEU 53 N 4.48 1.42 -2.76 0.99 -0.00 -1.26 -4.79 117.00 115.08 2awt n LEU 53 Ca 0.39 -0.74 -0.04 0.00 -0.00 0.00 0.00 56.01 55.62 2awt n LEU 53 Cb 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.81 2awt n LEU 53 CO 0.75 0.28 0.13 -1.54 -0.00 0.00 0.00 177.39 177.01 2awt n SER 54 N -0.27 -3.44 0.03 1.45 3.41 -1.26 -5.00 113.62 108.54 2awt n SER 54 Ca 0.06 -2.89 -0.18 0.00 -0.26 0.00 0.00 58.87 55.60 2awt n SER 54 Cb 0.29 1.75 -0.14 0.00 -0.26 0.00 0.00 64.21 65.85 2awt n SER 54 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2awt h MET 55 N 4.99 0.23 -0.59 4.33 2.86 -1.89 -2.89 114.93 121.96 2awt h MET 55 Ca 0.06 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 2awt h MET 55 Cb 1.11 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.92 2awt h MET 55 CO 0.01 1.06 0.00 0.54 1.06 0.00 0.00 176.91 179.58 2awt n ARG 56 N -3.41 2.49 -0.04 1.72 5.12 -1.26 -4.35 116.66 116.94 2awt n ARG 56 Ca -0.23 -2.30 -0.08 0.00 -1.93 0.00 0.00 57.85 53.32 2awt n ARG 56 Cb 1.05 -1.51 -0.03 0.00 -1.16 0.00 0.00 32.46 30.81 2awt n ARG 56 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2awt n GLN 57 N 1.39 0.18 -2.53 5.56 6.02 -1.25 -5.02 117.38 121.72 2awt n GLN 57 Ca 0.21 0.07 -0.40 0.00 -0.01 0.00 0.00 57.00 56.87 2awt n GLN 57 Cb 0.55 -0.90 -0.05 0.00 1.02 0.00 0.00 30.24 30.87 2awt n GLN 57 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2awt s ILE 58 N -2.15 3.64 -0.05 5.09 1.01 -1.09 -4.27 121.20 123.38 2awt s ILE 58 Ca -0.11 1.62 -0.02 0.00 0.00 0.00 0.00 60.65 62.14 2awt s ILE 58 Cb 0.04 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.51 2awt s ILE 58 CO 0.15 0.37 0.12 -0.13 0.00 0.00 0.00 174.94 175.46 2awt s ARG 59 N -1.25 0.07 0.09 2.79 0.52 -1.18 -4.87 118.95 115.12 2awt s ARG 59 Ca 0.44 0.32 -0.31 0.00 -0.52 0.00 0.00 55.73 55.66 2awt s ARG 59 Cb -0.30 -0.17 -0.09 0.00 0.52 0.00 0.00 34.95 34.91 2awt s ARG 59 CO 0.39 -0.15 1.60 -0.06 0.02 0.00 0.00 175.30 177.09 2awt s PHE 60 N 1.05 2.67 0.01 -0.53 0.40 -1.26 -4.05 117.98 116.27 2awt s PHE 60 Ca -0.08 0.47 0.02 0.00 -0.60 0.00 0.00 56.93 56.74 2awt s PHE 60 Cb -0.11 -3.92 -0.01 0.00 0.51 0.00 0.00 43.02 39.49 2awt s PHE 60 CO -0.05 -3.57 -0.07 0.50 0.70 0.00 0.00 175.22 172.73 2awt s ARG 61 N 2.12 0.53 0.26 0.44 3.52 0.16 -3.79 118.95 122.18 2awt s ARG 61 Ca 0.72 -0.37 0.09 0.00 -0.13 0.00 0.00 55.73 56.03 2awt s ARG 61 Cb -0.40 -0.47 -0.04 0.00 -1.56 0.00 0.00 34.95 32.48 2awt s ARG 61 CO 0.31 0.12 0.05 0.12 -0.81 0.00 0.00 175.30 175.09 2awt s PHE 62 N -0.46 2.81 -1.10 5.12 5.36 -1.19 -1.08 117.98 127.45 2awt s PHE 62 Ca -0.00 -0.19 -0.08 0.00 -0.96 0.00 0.00 56.93 55.70 2awt s PHE 62 Cb -0.04 -1.26 -0.10 0.00 -0.34 0.00 0.00 43.02 41.28 2awt s PHE 62 CO -0.00 0.59 2.69 -0.25 -1.46 0.00 0.00 175.22 176.79 2awt n ASP 63 N -0.93 6.69 0.00 6.13 8.00 -1.26 -3.03 116.55 132.14 2awt n ASP 63 Ca -0.07 -2.44 0.00 0.00 0.71 0.00 0.00 54.79 52.99 2awt n ASP 63 Cb 0.58 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 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 3.47 0.03 3.62 0.44 0.00 -1.26 -5.16 105.19 106.33 2awt n GLY 64 Ca 0.59 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 2awt n GLY 64 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2awt s GLN 65 N -0.50 0.15 0.77 1.61 -2.07 -1.17 -5.17 119.66 113.27 2awt s GLN 65 Ca 0.00 -0.05 -0.11 0.00 -1.82 0.00 0.00 55.36 53.39 2awt s GLN 65 Cb 0.00 0.07 0.05 0.00 -1.09 0.00 0.00 33.01 32.04 2awt s GLN 65 CO 0.00 -0.06 1.09 -1.25 -1.32 0.00 0.00 175.29 173.75 2awt s PRO 66 N -2.11 2.28 0.03 9.60 0.04 -1.26 -3.18 135.00 140.40 2awt s PRO 66 Ca 0.10 1.18 0.05 0.00 0.04 0.00 0.00 61.00 62.38 2awt s PRO 66 Cb -0.01 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2awt s PRO 66 CO -0.04 -1.63 -0.09 0.42 0.04 0.00 0.00 177.00 175.70 2awt s ILE 67 N -2.87 3.43 0.46 0.56 1.01 -1.25 -4.92 121.20 117.62 2awt s ILE 67 Ca 0.61 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 2awt s ILE 67 Cb -0.17 -2.51 0.09 0.00 0.01 0.00 0.00 42.46 39.89 2awt s ILE 67 CO 0.55 0.32 0.63 0.59 0.00 0.00 0.00 174.94 177.03 2awt n ASN 68 N 1.37 0.68 -0.02 3.58 4.13 -1.26 -4.93 115.26 118.80 2awt n ASN 68 Ca -0.15 -1.61 -0.14 0.00 1.68 0.00 0.00 54.58 54.36 2awt n ASN 68 Cb 0.52 -0.42 -0.14 0.00 -1.54 0.00 0.00 39.78 38.20 2awt n ASN 68 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2awt n GLU 69 N -2.20 0.69 -1.13 3.52 0.28 -1.26 -4.13 120.64 116.41 2awt n GLU 69 Ca 0.10 0.25 -0.22 0.00 -0.16 0.00 0.00 57.16 57.12 2awt n GLU 69 Cb 0.35 -1.72 0.16 0.00 1.43 0.00 0.00 31.44 31.66 2awt n GLU 69 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2awt n THR 70 N -3.20 3.04 -2.57 3.84 5.66 -1.26 -4.96 114.28 114.83 2awt n THR 70 Ca -0.26 -1.80 -0.24 0.00 -3.05 0.00 0.00 64.05 58.71 2awt n THR 70 Cb 1.06 -0.54 0.12 0.00 -1.55 0.00 0.00 70.33 69.41 2awt n THR 70 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2awt s ASP 71 N -1.12 4.19 0.06 1.09 -4.77 -1.26 -5.13 116.67 109.73 2awt s ASP 71 Ca 0.52 -0.41 -0.08 0.00 -3.30 0.00 0.00 52.55 49.29 2awt s ASP 71 Cb 0.44 0.10 -0.00 0.00 -1.09 0.00 0.00 42.92 42.37 2awt s ASP 71 CO 0.10 -1.98 0.16 0.42 0.70 0.00 0.00 175.17 174.57 2awt s THR 72 N -3.21 0.14 -0.91 2.11 -4.23 -1.26 -4.80 115.64 103.47 2awt s THR 72 Ca 0.68 -1.11 0.16 0.00 -1.18 0.00 0.00 61.69 60.23 2awt s THR 72 Cb -0.04 -1.13 0.14 0.00 1.34 0.00 0.00 72.50 72.80 2awt s THR 72 CO 0.45 -0.62 1.50 -0.81 -0.54 0.00 0.00 174.62 174.60 2awt n PRO 73 N 0.34 0.03 -0.00 3.99 -0.04 -1.26 -2.30 135.00 135.77 2awt n PRO 73 Ca -0.17 0.29 0.05 0.00 -0.04 0.00 0.00 63.50 63.63 2awt n PRO 73 Cb 0.60 -1.56 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 2awt n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2awt n ALA 74 N -1.55 2.34 -0.24 0.55 0.00 -1.26 -3.27 120.51 117.08 2awt n ALA 74 Ca 0.03 -0.64 0.08 0.00 0.00 0.00 0.00 53.44 52.92 2awt n ALA 74 Cb 0.18 -0.74 0.30 0.00 0.00 0.00 0.00 19.45 19.19 2awt n ALA 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2awt n GLN 75 N -2.55 3.24 0.00 0.00 6.02 -0.97 -3.92 117.38 119.20 2awt n GLN 75 Ca -0.10 -2.41 0.00 0.00 -0.01 0.00 0.00 57.00 54.48 2awt n GLN 75 Cb 0.73 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 30.22 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 0.98 0.53 -4.00 1.08 4.77 -1.18 -4.89 117.00 114.29 2awt n LEU 76 Ca 0.22 -0.53 -0.29 0.00 -0.03 0.00 0.00 56.01 55.37 2awt n LEU 76 Cb 0.75 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.83 2awt n LEU 76 CO 0.20 0.13 -0.08 -0.62 -1.33 0.00 0.00 177.39 175.70 2awt n GLU 77 N -0.06 -3.92 -3.49 3.23 1.02 -1.25 -4.90 120.64 111.26 2awt n GLU 77 Ca 0.00 0.46 -0.35 0.00 -0.02 0.00 0.00 57.16 57.25 2awt n GLU 77 Cb 0.21 -4.99 -0.06 0.00 -0.02 0.00 0.00 31.44 26.59 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 -4.45 2.91 -1.41 3.49 0.00 -1.20 -5.02 117.12 111.44 2awt n MET 78 Ca -0.11 -4.54 0.00 0.00 0.00 0.00 0.00 57.70 53.05 2awt n MET 78 Cb 0.59 -2.39 0.00 0.00 0.00 0.00 0.00 33.22 31.42 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 1.80 0.64 -3.38 3.17 4.71 -1.26 -4.70 120.64 121.61 2awt n GLU 79 Ca 0.24 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 57.21 2awt n GLU 79 Cb 0.37 0.00 0.08 0.00 -1.01 0.00 0.00 31.44 30.88 2awt n GLU 79 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2awt n ASP 80 N -1.77 -3.61 -2.84 1.62 8.00 -1.26 -3.07 116.55 113.62 2awt n ASP 80 Ca 0.00 -0.54 -0.13 0.00 0.71 0.00 0.00 54.79 54.84 2awt n ASP 80 Cb 0.00 -4.69 0.07 0.00 -0.02 0.00 0.00 41.12 36.48 2awt n ASP 80 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2awt n GLU 81 N -4.16 -4.78 -3.04 -1.24 1.02 -1.20 -4.99 120.64 102.25 2awt n GLU 81 Ca -0.16 0.65 -0.39 0.00 -0.02 0.00 0.00 57.16 57.24 2awt n GLU 81 Cb 0.62 -5.04 -0.05 0.00 -0.02 0.00 0.00 31.44 26.94 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 -3.98 7.21 -0.36 1.62 2.15 -1.17 -4.86 116.67 117.28 2awt s ASP 82 Ca 0.03 1.44 -0.14 0.00 0.43 0.00 0.00 52.55 54.30 2awt s ASP 82 Cb -0.00 -2.45 -0.01 0.00 -0.30 0.00 0.00 42.92 40.16 2awt s ASP 82 CO 0.55 0.10 0.29 -0.89 -0.17 0.00 0.00 175.17 175.05 2awt s THR 83 N -0.43 5.24 -0.16 1.71 2.01 -1.26 -0.65 115.64 122.10 2awt s THR 83 Ca 0.36 -0.23 -0.21 0.00 0.31 0.00 0.00 61.69 61.92 2awt s THR 83 Cb -0.21 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2awt s THR 83 CO 0.23 -0.10 0.62 -0.63 -0.69 0.00 0.00 174.62 174.05 2awt s ILE 84 N 1.81 5.05 0.50 1.82 1.01 0.91 -4.90 121.20 127.40 2awt s ILE 84 Ca 0.08 1.20 -0.21 0.00 0.00 0.00 0.00 60.65 61.72 2awt s ILE 84 Cb -0.17 -3.94 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 2awt s ILE 84 CO 0.11 0.17 1.10 -1.81 0.00 0.00 0.00 174.94 174.51 2awt s ASP 85 N 1.04 6.05 -0.09 3.58 1.11 -0.24 -2.68 116.67 125.45 2awt s ASP 85 Ca 0.30 2.12 -0.15 0.00 0.18 0.00 0.00 52.55 55.00 2awt s ASP 85 Cb -0.16 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.28 2awt s ASP 85 CO 0.12 -0.99 0.37 -0.69 1.18 0.00 0.00 175.17 175.16 2awt s VAL 86 N -1.78 0.02 0.23 -1.27 1.01 -0.68 -0.67 120.40 117.27 2awt s VAL 86 Ca 0.68 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 2awt s VAL 86 Cb -0.23 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 2awt s VAL 86 CO 0.26 -0.10 0.29 0.72 0.00 0.00 0.00 175.10 176.27 2awt s PHE 87 N -0.44 0.87 0.46 5.22 -0.12 -1.26 -0.07 117.98 122.65 2awt s PHE 87 Ca -0.06 -1.14 0.03 0.00 -0.05 0.00 0.00 56.93 55.71 2awt s PHE 87 Cb -0.04 -0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.08 2awt s PHE 87 CO 0.02 -0.81 0.06 1.14 -0.05 0.00 0.00 175.22 175.58 2awt s GLN 88 N -4.01 2.06 -0.19 1.99 -2.07 -1.26 -3.12 119.66 113.05 2awt s GLN 88 Ca 0.32 -2.28 0.14 0.00 -1.82 0.00 0.00 55.36 51.72 2awt s GLN 88 Cb 0.03 -1.14 0.39 0.00 -1.09 0.00 0.00 33.01 31.21 2awt s GLN 88 CO 0.12 -0.39 1.24 1.04 -1.32 0.00 0.00 175.29 175.98 2awt n GLN 89 N -1.09 1.60 -4.18 9.60 1.13 -1.26 -4.92 117.38 118.26 2awt n GLN 89 Ca -0.13 -3.03 -0.14 0.00 -1.94 0.00 0.00 57.00 51.76 2awt n GLN 89 Cb 0.66 -1.62 -0.08 0.00 0.11 0.00 0.00 30.24 29.32 2awt n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2awt s GLN 90 N -3.10 1.54 0.11 -1.09 0.74 -1.26 -5.06 119.66 111.54 2awt s GLN 90 Ca 0.37 -1.71 0.18 0.00 0.05 0.00 0.00 55.36 54.25 2awt s GLN 90 Cb 0.34 0.35 -0.09 0.00 1.10 0.00 0.00 33.01 34.71 2awt s GLN 90 CO -0.02 -0.57 0.90 1.15 -0.55 0.00 0.00 175.29 176.20 2awt h THR 91 N 2.34 0.38 -3.14 -0.34 2.02 -2.01 -3.45 112.91 108.71 2awt h THR 91 Ca -0.30 -1.75 -0.56 0.00 0.77 0.00 0.00 66.41 64.57 2awt h THR 91 Cb 1.24 1.91 -0.05 0.00 -1.74 0.00 0.00 68.15 69.51 2awt h THR 91 CO 0.43 0.22 1.08 -0.83 0.37 0.00 0.00 175.52 176.80 2awt s GLY 92 N -4.67 1.02 0.17 2.16 0.00 -1.26 -4.94 107.32 99.79 2awt s GLY 92 Ca -0.02 -0.31 -0.24 0.00 0.00 0.00 0.00 44.72 44.15 2awt s GLY 92 CO 0.80 2.79 0.89 -0.32 0.00 0.00 0.00 173.10 177.26 2awt s GLY 93 N 4.15 -0.24 -0.35 0.20 0.00 -1.26 -4.95 107.32 104.87 2awt s GLY 93 Ca 0.59 0.13 -0.06 0.00 0.00 0.00 0.00 44.72 45.38 2awt s GLY 93 CO 0.30 0.02 0.12 -1.34 0.00 0.00 0.00 173.10 172.21 2awt s VAL 94 N -3.42 3.70 0.00 1.40 -7.23 -1.26 -5.14 120.40 108.45 2awt s VAL 94 Ca 0.11 -1.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 2awt s VAL 94 Cb -0.02 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 33.75 2awt s VAL 94 CO 0.02 -0.26 0.48 0.00 -0.31 0.00 0.00 175.10 175.02