#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 3.41 -0.07 3.04 0.00 -1.26 -5.02 121.76 121.87 2awt s ALA 2 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 2awt s ALA 2 Cb 0.00 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.70 2awt s ALA 2 CO 0.00 -1.55 0.30 0.16 0.00 0.00 0.00 175.76 174.67 2awt s ASP 3 N 1.87 -0.25 0.25 0.00 1.47 -1.26 -5.17 116.67 113.57 2awt s ASP 3 Ca 0.35 0.36 0.06 0.00 1.18 0.00 0.00 52.55 54.49 2awt s ASP 3 Cb -0.13 0.48 -0.05 0.00 -0.34 0.00 0.00 42.92 42.88 2awt s ASP 3 CO 0.18 -0.27 -0.07 -1.61 0.68 0.00 0.00 175.17 174.09 2awt s GLU 4 N -0.55 1.44 -0.45 2.11 8.01 -1.26 -5.10 118.70 122.89 2awt s GLU 4 Ca -0.07 -1.71 0.07 0.00 0.01 0.00 0.00 54.97 53.28 2awt s GLU 4 Cb -0.04 -1.01 0.24 0.00 -4.31 0.00 0.00 34.13 29.02 2awt s GLU 4 CO 0.02 0.04 0.74 1.63 0.01 0.00 0.00 175.26 177.70 2awt n LYS 5 N -0.49 0.75 -2.16 1.61 5.02 -1.26 -5.12 118.16 116.50 2awt n LYS 5 Ca -0.06 -2.34 -0.42 0.00 -2.02 0.00 0.00 58.31 53.47 2awt n LYS 5 Cb 0.63 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 34.24 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 -0.05 4.23 0.00 1.97 0.04 -1.26 -4.86 135.00 135.07 2awt s PRO 6 Ca 0.33 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2awt s PRO 6 Cb 0.20 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2awt s PRO 6 CO -0.19 -0.70 0.00 1.63 0.04 0.00 0.00 177.00 177.78 2awt n LYS 7 N 6.21 1.86 -2.84 4.56 5.02 -1.26 -5.06 118.16 126.65 2awt n LYS 7 Ca 0.15 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.16 2awt n LYS 7 Cb 0.43 -0.95 -0.02 0.00 -0.02 0.00 0.00 35.03 34.48 2awt n LYS 7 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2awt s GLU 8 N -1.89 3.63 0.00 1.97 8.01 -1.26 -4.90 118.70 124.25 2awt s GLU 8 Ca 0.00 0.23 0.00 0.00 0.01 0.00 0.00 54.97 55.21 2awt s GLU 8 Cb 0.00 -2.43 0.00 0.00 -4.31 0.00 0.00 34.13 27.39 2awt s GLU 8 CO 0.00 -0.07 0.00 0.41 0.01 0.00 0.00 175.26 175.61 2awt n GLY 9 N -1.75 -1.90 2.86 -1.39 0.00 -1.26 -5.14 105.19 96.62 2awt n GLY 9 Ca 0.01 0.63 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 -0.02 0.24 1.61 -7.23 -1.26 -5.14 120.40 108.60 2awt s VAL 10 Ca 0.00 0.08 -0.02 0.00 -1.81 0.00 0.00 61.98 60.23 2awt s VAL 10 Cb 0.00 -0.07 -0.03 0.00 0.56 0.00 0.00 36.38 36.84 2awt s VAL 10 CO 0.00 0.03 0.26 -0.54 -0.31 0.00 0.00 175.10 174.54 2awt s LYS 11 N 0.43 1.42 0.19 4.82 -0.14 -1.26 -5.16 119.74 120.04 2awt s LYS 11 Ca -0.03 -1.62 -0.11 0.00 -1.36 0.00 0.00 55.97 52.85 2awt s LYS 11 Cb -0.05 0.34 -0.00 0.00 -1.68 0.00 0.00 37.83 36.44 2awt s LYS 11 CO -0.01 -0.52 0.37 0.95 -0.76 0.00 0.00 175.35 175.37 2awt s THR 12 N -3.92 0.04 0.29 2.17 -4.23 -1.26 -5.15 115.64 103.58 2awt s THR 12 Ca 0.35 -1.31 -0.07 0.00 -1.18 0.00 0.00 61.69 59.48 2awt s THR 12 Cb 0.04 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 72.00 2awt s THR 12 CO 0.14 -0.18 0.50 -0.62 -0.54 0.00 0.00 174.62 173.93 2awt n GLU 13 N -0.28 0.72 -0.02 3.99 -0.58 -1.26 -5.03 120.64 118.18 2awt n GLU 13 Ca -0.06 -1.90 -0.03 0.00 -0.42 0.00 0.00 57.16 54.75 2awt n GLU 13 Cb 0.63 2.10 -0.02 0.00 -0.57 0.00 0.00 31.44 33.58 2awt n GLU 13 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2awt n ASN 14 N -1.55 3.68 -0.01 1.62 4.13 -1.26 -4.88 115.26 117.00 2awt n ASN 14 Ca -0.04 -0.02 -0.00 0.00 1.68 0.00 0.00 54.58 56.20 2awt n ASN 14 Cb 0.45 -0.06 -0.00 0.00 -1.54 0.00 0.00 39.78 38.63 2awt n ASN 14 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 2awt h ASN 15 N -0.00 0.00 -5.34 6.41 -1.24 -2.03 -3.50 115.58 109.88 2awt h ASN 15 Ca -0.09 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.77 2awt h ASN 15 Cb 1.13 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.11 2awt h ASN 15 CO -0.01 0.12 -0.11 -1.81 -1.29 0.00 0.00 177.43 174.33 2awt s ASP 16 N -3.63 0.37 -0.32 1.15 1.01 -1.26 -5.00 116.67 108.99 2awt s ASP 16 Ca -0.00 -1.21 0.06 0.00 0.71 0.00 0.00 52.55 52.11 2awt s ASP 16 Cb 0.00 0.65 0.19 0.00 1.01 0.00 0.00 42.92 44.77 2awt s ASP 16 CO 0.00 -1.28 0.59 -1.38 0.21 0.00 0.00 175.17 173.31 2awt s HIS 17 N -3.37 -1.78 0.63 4.23 -3.43 -1.26 -3.59 115.29 106.71 2awt s HIS 17 Ca 0.25 0.86 0.06 0.00 -0.80 0.00 0.00 55.06 55.43 2awt s HIS 17 Cb -0.01 0.29 0.10 0.00 -1.43 0.00 0.00 32.58 31.53 2awt s HIS 17 CO 0.14 -1.10 0.86 0.96 -2.00 0.00 0.00 174.74 173.60 2awt s ILE 18 N 2.59 2.12 -0.01 -5.38 -4.36 0.11 -4.91 121.20 111.36 2awt s ILE 18 Ca 0.11 -0.87 0.07 0.00 -0.26 0.00 0.00 60.65 59.70 2awt s ILE 18 Cb -0.09 -2.25 -0.03 0.00 1.25 0.00 0.00 42.46 41.35 2awt s ILE 18 CO -0.22 0.00 -0.21 0.21 0.24 0.00 0.00 174.94 174.96 2awt s ASN 19 N -4.70 3.48 0.01 4.36 2.47 -1.26 -3.23 114.94 116.06 2awt s ASN 19 Ca 0.64 -0.41 -0.06 0.00 0.42 0.00 0.00 52.86 53.45 2awt s ASN 19 Cb -0.05 -0.52 -0.00 0.00 -1.45 0.00 0.00 41.25 39.22 2awt s ASN 19 CO 0.41 0.31 0.12 -0.22 -3.72 0.00 0.00 177.10 173.99 2awt s LEU 20 N -0.90 1.65 -0.21 3.21 2.96 -0.90 -3.38 118.68 121.11 2awt s LEU 20 Ca 0.12 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.70 2awt s LEU 20 Cb -0.10 0.63 0.07 0.00 0.50 0.00 0.00 46.19 47.28 2awt s LEU 20 CO 0.01 -0.40 0.07 -0.54 -1.32 0.00 0.00 176.35 174.17 2awt s LYS 21 N -1.65 0.41 -0.74 1.98 1.02 -0.60 -2.09 119.74 118.08 2awt s LYS 21 Ca -0.13 -0.38 -0.20 0.00 0.02 0.00 0.00 55.97 55.28 2awt s LYS 21 Cb -0.07 -1.89 0.10 0.00 -0.52 0.00 0.00 37.83 35.45 2awt s LYS 21 CO 0.00 -0.73 0.95 0.08 -0.92 0.00 0.00 175.35 174.74 2awt s VAL 22 N 1.96 4.60 -0.15 3.17 1.01 0.11 -0.81 120.40 130.29 2awt s VAL 22 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2awt s VAL 22 Cb -0.17 -4.67 0.03 0.00 0.00 0.00 0.00 36.38 31.58 2awt s VAL 22 CO -0.13 -1.39 -0.11 0.00 0.00 0.00 0.00 175.10 173.47 2awt s ALA 23 N 3.20 1.71 0.31 5.51 0.00 -1.06 -0.13 121.76 131.30 2awt s ALA 23 Ca 0.23 -0.87 -0.28 0.00 0.00 0.00 0.00 51.96 51.04 2awt s ALA 23 Cb -0.14 -1.07 -0.09 0.00 0.00 0.00 0.00 23.12 21.81 2awt s ALA 23 CO 0.02 -0.53 1.13 0.20 0.00 0.00 0.00 175.76 176.59 2awt s GLY 24 N 1.54 3.00 0.56 0.00 0.00 -0.40 -3.12 107.32 108.90 2awt s GLY 24 Ca 0.03 0.94 0.37 0.00 0.00 0.00 0.00 44.72 46.07 2awt s GLY 24 CO -0.09 1.53 2.14 -1.61 0.00 0.00 0.00 173.10 175.07 2awt h GLN 25 N 3.48 0.00 0.00 2.90 4.15 -1.87 -3.10 115.11 120.67 2awt h GLN 25 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2awt h GLN 25 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2awt h GLN 25 CO 0.66 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.31 2awt n ASP 26 N -2.81 0.00 -2.70 -0.69 9.92 -1.26 -4.33 116.55 114.68 2awt n ASP 26 Ca -0.02 0.36 -0.06 0.00 -0.53 0.00 0.00 54.79 54.53 2awt n ASP 26 Cb 0.06 -0.33 0.09 0.00 -0.64 0.00 0.00 41.12 40.30 2awt n ASP 26 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2awt n GLY 27 N 2.01 0.17 3.08 0.44 0.00 -1.20 -2.77 105.19 106.92 2awt n GLY 27 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.87 0.84 -0.30 1.61 0.01 -1.17 -4.13 113.70 109.68 2awt s SER 28 Ca 0.19 -0.67 -0.13 0.00 1.31 0.00 0.00 55.95 56.65 2awt s SER 28 Cb 0.29 0.06 0.15 0.00 0.21 0.00 0.00 66.02 66.74 2awt s SER 28 CO -0.09 -0.29 0.87 0.54 0.41 0.00 0.00 173.24 174.68 2awt s VAL 29 N -2.02 -0.67 -0.01 3.43 0.11 -1.25 -1.28 120.40 118.71 2awt s VAL 29 Ca -0.05 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.93 2awt s VAL 29 Cb -0.06 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 2awt s VAL 29 CO -0.01 0.00 0.14 -0.69 -3.33 0.00 0.00 175.10 171.21 2awt s VAL 30 N 2.61 0.06 -0.04 2.04 1.01 0.81 -4.93 120.40 121.97 2awt s VAL 30 Ca -0.03 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2awt s VAL 30 Cb -0.08 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 2awt s VAL 30 CO -0.18 -0.29 -0.11 -1.10 0.00 0.00 0.00 175.10 173.42 2awt s GLN 31 N -1.04 2.56 0.05 2.72 -0.21 -1.26 0.04 119.66 122.53 2awt s GLN 31 Ca -0.11 -0.67 -0.15 0.00 0.02 0.00 0.00 55.36 54.45 2awt s GLN 31 Cb -0.06 -2.46 0.02 0.00 1.00 0.00 0.00 33.01 31.51 2awt s GLN 31 CO 0.01 0.63 0.34 -0.06 -2.12 0.00 0.00 175.29 174.09 2awt s PHE 32 N -0.82 -0.15 -0.02 0.91 0.40 -0.89 -4.89 117.98 112.52 2awt s PHE 32 Ca 0.13 0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.51 2awt s PHE 32 Cb -0.11 0.13 -0.00 0.00 0.51 0.00 0.00 43.02 43.55 2awt s PHE 32 CO 0.02 -0.53 -0.08 0.15 0.70 0.00 0.00 175.22 175.48 2awt s LYS 33 N -2.60 0.79 0.24 0.44 1.02 -1.26 -2.12 119.74 116.25 2awt s LYS 33 Ca -0.05 -0.29 -0.21 0.00 0.02 0.00 0.00 55.97 55.45 2awt s LYS 33 Cb -0.01 -0.76 0.03 0.00 -0.52 0.00 0.00 37.83 36.58 2awt s LYS 33 CO -0.03 0.14 0.67 -1.50 -0.92 0.00 0.00 175.35 173.70 2awt s ILE 34 N 0.01 0.00 0.55 2.17 2.07 -1.20 -4.99 121.20 119.82 2awt s ILE 34 Ca 0.00 -0.76 -0.09 0.00 -1.41 0.00 0.00 60.65 58.39 2awt s ILE 34 Cb -0.06 -1.73 0.14 0.00 0.13 0.00 0.00 42.46 40.94 2awt s ILE 34 CO -0.00 -0.01 0.44 2.29 -1.91 0.00 0.00 174.94 175.76 2awt n LYS 35 N -0.43 -2.26 0.06 3.50 2.85 -1.24 0.05 118.16 120.69 2awt n LYS 35 Ca -0.07 -0.72 -0.20 0.00 -1.05 0.00 0.00 58.31 56.26 2awt n LYS 35 Cb 0.61 -0.73 -0.15 0.00 -0.65 0.00 0.00 35.03 34.11 2awt n LYS 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2awt h ARG 36 N 0.00 0.32 -2.59 -1.58 3.08 -1.95 -3.39 114.38 108.26 2awt h ARG 36 Ca -0.17 -0.54 -0.76 0.00 0.07 0.00 0.00 59.98 58.57 2awt h ARG 36 Cb 0.55 0.20 -0.31 0.00 0.08 0.00 0.00 29.97 30.49 2awt h ARG 36 CO 0.11 1.21 0.54 1.58 -1.07 0.00 0.00 179.97 182.34 2awt n HIS 37 N -3.51 2.71 -4.64 3.04 -0.00 -1.26 -3.57 115.22 107.99 2awt n HIS 37 Ca -0.23 -2.91 -0.31 0.00 0.46 0.00 0.00 57.72 54.73 2awt n HIS 37 Cb 1.06 -1.08 -0.12 0.00 -0.12 0.00 0.00 29.99 29.73 2awt n HIS 37 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 2awt s THR 38 N -3.27 3.07 -0.36 3.57 -1.32 -1.26 -5.08 115.64 110.99 2awt s THR 38 Ca 0.36 -1.00 -0.28 0.00 -1.21 0.00 0.00 61.69 59.55 2awt s THR 38 Cb 0.12 -2.29 -0.01 0.00 -1.51 0.00 0.00 72.50 68.80 2awt s THR 38 CO 0.01 0.39 1.70 -2.16 -2.21 0.00 0.00 174.62 172.36 2awt s PRO 39 N -1.34 3.37 0.54 7.08 0.04 -1.26 -4.86 135.00 138.58 2awt s PRO 39 Ca 0.15 1.28 0.33 0.00 0.04 0.00 0.00 61.00 62.79 2awt s PRO 39 Cb -0.11 -4.16 1.50 0.00 0.04 0.00 0.00 34.50 31.77 2awt s PRO 39 CO 0.05 -1.81 1.87 -0.07 0.04 0.00 0.00 177.00 177.08 2awt h LEU 40 N 13.39 0.00 -0.55 -3.56 3.38 -1.85 -0.54 115.31 125.59 2awt h LEU 40 Ca -0.32 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.76 2awt h LEU 40 Cb 1.15 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 2awt h LEU 40 CO 1.05 0.00 0.03 0.28 0.09 0.00 0.00 178.44 179.89 2awt h SER 41 N 0.00 -0.19 -0.84 -0.43 0.02 -1.89 0.23 113.55 110.45 2awt h SER 41 Ca 0.45 0.13 0.24 0.00 -0.84 0.00 0.00 61.79 61.77 2awt h SER 41 Cb 1.82 0.22 -0.03 0.00 0.14 0.00 0.00 62.40 64.54 2awt h SER 41 CO -0.00 -0.07 0.64 0.07 -1.14 0.00 0.00 176.83 176.33 2awt h LYS 42 N 0.14 0.00 0.23 3.45 5.09 -1.49 0.12 116.57 124.11 2awt h LYS 42 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 61.01 2awt h LYS 42 Cb 0.44 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.77 2awt h LYS 42 CO -0.45 0.00 -0.11 1.25 -2.09 0.00 0.00 179.45 178.06 2awt h LEU 43 N 0.00 -0.26 -0.61 7.07 7.12 -0.67 -2.96 115.31 125.00 2awt h LEU 43 Ca 0.40 0.01 0.11 0.00 0.13 0.00 0.00 57.88 58.53 2awt h LEU 43 Cb 1.68 0.07 -0.08 0.00 -0.53 0.00 0.00 40.66 41.80 2awt h LEU 43 CO -0.00 0.05 0.18 0.00 -0.13 0.00 0.00 178.44 178.54 2awt h MET 44 N -0.78 0.33 -0.41 1.25 -0.00 -1.12 0.10 114.93 114.30 2awt h MET 44 Ca -0.03 -0.02 0.08 0.00 -0.00 0.00 0.00 59.70 59.73 2awt h MET 44 Cb 0.23 -0.07 -0.08 0.00 -0.00 0.00 0.00 31.60 31.68 2awt h MET 44 CO 0.05 0.22 -0.14 -0.22 -0.00 0.00 0.00 176.91 176.82 2awt h LYS 45 N 0.34 -0.05 -0.52 -0.10 3.64 -0.91 -1.38 116.57 117.59 2awt h LYS 45 Ca 0.32 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.58 2awt h LYS 45 Cb 0.44 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2awt h LYS 45 CO -0.36 -0.03 -0.15 0.00 -2.27 0.00 0.00 179.45 176.64 2awt h ALA 46 N 1.31 0.76 0.00 5.00 0.00 -1.15 -2.75 119.26 122.42 2awt h ALA 46 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2awt h ALA 46 Cb 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2awt h ALA 46 CO -0.45 0.67 -0.02 -0.92 0.00 0.00 0.00 179.25 178.54 2awt h TYR 47 N 0.89 -0.05 -0.95 0.00 5.03 0.24 -1.80 116.97 120.33 2awt h TYR 47 Ca 0.13 0.00 0.20 0.00 2.58 0.00 0.00 58.73 61.65 2awt h TYR 47 Cb 0.71 0.02 -0.08 0.00 1.55 0.00 0.00 36.73 38.94 2awt h TYR 47 CO 0.05 -0.02 0.61 0.00 -1.32 0.00 0.00 178.16 177.48 2awt h GLU 49 N 0.52 0.29 0.00 0.00 4.81 -1.02 0.76 114.58 119.93 2awt h GLU 49 Ca 0.51 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.71 2awt h GLU 49 Cb 1.12 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 2awt h GLU 49 CO -0.24 0.19 -1.86 2.89 -0.73 0.00 0.00 179.01 179.25 2awt n ARG 50 N -4.46 0.58 -3.16 1.92 1.85 0.46 -4.69 116.66 109.16 2awt n ARG 50 Ca 0.20 -0.16 -0.21 0.00 -1.00 0.00 0.00 57.85 56.68 2awt n ARG 50 Cb 0.81 -1.44 -0.05 0.00 -1.05 0.00 0.00 32.46 30.73 2awt n ARG 50 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2awt n GLN 51 N -2.17 0.82 -2.14 2.89 10.64 0.45 -5.01 117.38 122.86 2awt n GLN 51 Ca -0.04 -3.18 -0.41 0.00 -1.83 0.00 0.00 57.00 51.54 2awt n GLN 51 Cb 0.51 -1.40 0.00 0.00 -0.86 0.00 0.00 30.24 28.49 2awt n GLN 51 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2awt n GLY 52 N 0.98 5.28 0.01 2.61 0.00 0.25 -4.32 105.19 110.00 2awt n GLY 52 Ca 0.22 -2.14 0.04 0.00 0.00 0.00 0.00 46.02 44.13 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 1.74 0.00 -2.93 0.99 -0.00 -1.26 -4.87 117.00 110.67 2awt n LEU 53 Ca 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.48 2awt n LEU 53 Cb 0.26 0.03 -0.02 0.00 -0.00 0.00 0.00 43.42 43.69 2awt n LEU 53 CO 0.68 0.03 0.01 -0.94 -0.00 0.00 0.00 177.39 177.17 2awt s SER 54 N -3.18 -0.73 0.49 1.45 1.04 -1.26 -4.98 113.70 106.53 2awt s SER 54 Ca -0.03 -2.06 0.27 0.00 0.48 0.00 0.00 55.95 54.61 2awt s SER 54 Cb 0.05 1.31 1.22 0.00 0.10 0.00 0.00 66.02 68.71 2awt s SER 54 CO 0.38 -0.08 1.96 0.00 0.98 0.00 0.00 173.24 176.47 2awt h MET 55 N 5.19 0.00 -0.65 4.02 -0.00 -1.89 -2.11 114.93 119.49 2awt h MET 55 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.81 2awt h MET 55 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.66 2awt h MET 55 CO 0.10 0.16 0.00 0.54 -0.00 0.00 0.00 176.91 177.71 2awt n ARG 56 N -3.47 3.20 -0.80 -0.10 1.74 -1.26 -3.88 116.66 112.09 2awt n ARG 56 Ca -0.01 -2.04 0.04 0.00 -0.77 0.00 0.00 57.85 55.07 2awt n ARG 56 Cb 0.33 -1.83 0.08 0.00 -1.02 0.00 0.00 32.46 30.01 2awt n ARG 56 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2awt n GLN 57 N 0.60 0.56 -4.46 5.56 7.27 -0.79 -5.04 117.38 121.07 2awt n GLN 57 Ca 0.18 -2.11 -0.32 0.00 0.07 0.00 0.00 57.00 54.82 2awt n GLN 57 Cb 0.75 -0.73 -0.16 0.00 2.41 0.00 0.00 30.24 32.50 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 -1.18 2.00 0.02 1.69 -1.09 -1.25 -4.26 121.20 117.13 2awt s ILE 58 Ca 0.25 -0.93 -0.17 0.00 -2.23 0.00 0.00 60.65 57.57 2awt s ILE 58 Cb 0.26 -1.79 0.03 0.00 -1.58 0.00 0.00 42.46 39.39 2awt s ILE 58 CO -0.07 0.54 0.38 -0.13 -1.23 0.00 0.00 174.94 174.43 2awt s ARG 59 N 1.00 0.82 -0.26 2.79 1.81 -1.26 -5.00 118.95 118.86 2awt s ARG 59 Ca -0.03 -0.28 -0.05 0.00 -1.72 0.00 0.00 55.73 53.65 2awt s ARG 59 Cb -0.15 0.37 -0.00 0.00 -0.45 0.00 0.00 34.95 34.72 2awt s ARG 59 CO -0.06 -0.26 0.02 -0.06 -0.68 0.00 0.00 175.30 174.27 2awt s PHE 60 N -1.99 3.06 -0.14 -0.53 0.08 -1.26 -3.31 117.98 113.89 2awt s PHE 60 Ca -0.09 -0.89 -0.13 0.00 0.12 0.00 0.00 56.93 55.95 2awt s PHE 60 Cb -0.02 -2.18 0.04 0.00 -0.57 0.00 0.00 43.02 40.28 2awt s PHE 60 CO 0.01 -0.53 0.38 1.03 -0.10 0.00 0.00 175.22 176.01 2awt s ARG 61 N 1.50 0.44 0.49 0.44 0.52 -1.03 -3.02 118.95 118.30 2awt s ARG 61 Ca 0.04 0.54 0.04 0.00 -0.52 0.00 0.00 55.73 55.84 2awt s ARG 61 Cb -0.16 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.50 2awt s ARG 61 CO 0.00 -0.06 0.13 -0.59 0.02 0.00 0.00 175.30 174.80 2awt s PHE 62 N 0.26 2.02 -1.14 -0.53 -0.71 -1.20 -1.55 117.98 115.12 2awt s PHE 62 Ca -0.00 -0.83 -0.12 0.00 -1.04 0.00 0.00 56.93 54.93 2awt s PHE 62 Cb -0.03 -1.76 -0.07 0.00 -1.21 0.00 0.00 43.02 39.95 2awt s PHE 62 CO -0.00 0.09 2.27 -3.47 -1.34 0.00 0.00 175.22 172.77 2awt n ASP 63 N -1.34 4.93 0.00 1.98 2.03 -1.26 -3.08 116.55 119.81 2awt n ASP 63 Ca -0.10 -2.57 0.00 0.00 0.52 0.00 0.00 54.79 52.64 2awt n ASP 63 Cb 0.66 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 2awt n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2awt n GLY 64 N 3.99 0.09 0.00 0.27 0.00 -1.26 -5.16 105.19 103.12 2awt n GLY 64 Ca 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2awt n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2awt n GLN 65 N -0.72 0.00 -0.41 1.61 10.64 -1.18 -5.18 117.38 122.14 2awt n GLN 65 Ca 0.00 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.05 2awt n GLN 65 Cb 0.00 0.00 0.10 0.00 -0.86 0.00 0.00 30.24 29.48 2awt n GLN 65 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 2awt n PRO 66 N -0.02 -1.87 -3.95 2.61 -0.04 -1.26 -3.26 135.00 127.22 2awt n PRO 66 Ca 0.00 -0.70 -0.10 0.00 -0.04 0.00 0.00 63.50 62.67 2awt n PRO 66 Cb 0.00 -0.65 -0.11 0.00 -0.04 0.00 0.00 33.50 32.70 2awt n PRO 66 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2awt s ILE 67 N -1.79 0.09 0.02 0.52 1.01 -1.17 -4.87 121.20 115.02 2awt s ILE 67 Ca 0.28 -0.76 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 2awt s ILE 67 Cb -0.03 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.18 2awt s ILE 67 CO 0.22 -0.41 0.02 0.59 0.00 0.00 0.00 174.94 175.35 2awt n ASN 68 N 1.76 0.02 -0.04 3.58 3.02 -1.26 -4.85 115.26 117.49 2awt n ASN 68 Ca -0.22 -1.02 0.03 0.00 -0.03 0.00 0.00 54.58 53.34 2awt n ASN 68 Cb 0.56 -0.01 -0.16 0.00 -0.61 0.00 0.00 39.78 39.55 2awt n ASN 68 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2awt n GLU 69 N -1.04 0.67 -1.70 3.52 0.28 -1.26 -4.41 120.64 116.70 2awt n GLU 69 Ca 0.00 -0.12 -0.22 0.00 -0.16 0.00 0.00 57.16 56.66 2awt n GLU 69 Cb 0.01 -1.53 0.06 0.00 1.43 0.00 0.00 31.44 31.41 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 -2.45 2.72 -3.55 3.84 5.66 -1.26 -4.62 114.28 114.61 2awt n THR 70 Ca -0.15 -3.79 -0.21 0.00 -3.05 0.00 0.00 64.05 56.85 2awt n THR 70 Cb 0.79 -1.02 -0.02 0.00 -1.55 0.00 0.00 70.33 68.54 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 -3.16 5.01 0.06 1.09 2.15 -1.26 -5.07 116.67 115.48 2awt s ASP 71 Ca 0.52 -0.82 -0.03 0.00 0.43 0.00 0.00 52.55 52.65 2awt s ASP 71 Cb 0.43 -0.34 -0.03 0.00 -0.30 0.00 0.00 42.92 42.67 2awt s ASP 71 CO 0.02 -0.79 0.02 0.42 -0.17 0.00 0.00 175.17 174.67 2awt s THR 72 N -2.53 0.20 -0.88 1.71 -4.23 -1.26 -4.48 115.64 104.15 2awt s THR 72 Ca 0.47 -1.61 0.16 0.00 -1.18 0.00 0.00 61.69 59.53 2awt s THR 72 Cb -0.03 -1.40 0.15 0.00 1.34 0.00 0.00 72.50 72.55 2awt s THR 72 CO 0.28 -0.89 1.51 -0.81 -0.54 0.00 0.00 174.62 174.17 2awt n PRO 73 N 0.18 0.04 -0.06 3.99 -0.04 -1.25 -2.76 135.00 135.09 2awt n PRO 73 Ca -0.15 0.29 -0.09 0.00 -0.04 0.00 0.00 63.50 63.52 2awt n PRO 73 Cb 0.61 -1.58 0.07 0.00 -0.04 0.00 0.00 33.50 32.56 2awt n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2awt h ALA 74 N 2.44 0.80 -0.25 0.55 0.00 -1.94 -2.46 119.26 118.40 2awt h ALA 74 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2awt h ALA 74 Cb 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2awt h ALA 74 CO 0.00 0.65 0.00 1.04 0.00 0.00 0.00 179.25 180.94 2awt n GLN 75 N -4.07 2.81 -0.01 0.00 6.02 -1.12 -4.45 117.38 116.57 2awt n GLN 75 Ca -0.01 -2.65 0.01 0.00 -0.01 0.00 0.00 57.00 54.34 2awt n GLN 75 Cb 0.49 -1.70 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 2awt n GLN 75 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2awt n LEU 76 N -0.38 0.00 -3.03 1.08 7.94 -1.11 -4.99 117.00 116.51 2awt n LEU 76 Ca 0.19 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.92 2awt n LEU 76 Cb 0.77 0.02 0.07 0.00 0.53 0.00 0.00 43.42 44.81 2awt n LEU 76 CO 0.13 0.02 0.15 -0.62 -1.11 0.00 0.00 177.39 175.95 2awt n GLU 77 N -1.74 -6.01 -2.61 1.96 1.02 -0.93 -4.95 120.64 107.38 2awt n GLU 77 Ca -0.02 0.69 -0.34 0.00 -0.02 0.00 0.00 57.16 57.48 2awt n GLU 77 Cb 0.21 -5.29 -0.00 0.00 -0.02 0.00 0.00 31.44 26.34 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 -3.89 4.00 -1.53 3.49 0.00 -1.25 -5.00 117.12 112.95 2awt n MET 78 Ca -0.12 -4.54 0.00 0.00 0.00 0.00 0.00 57.70 53.04 2awt n MET 78 Cb 0.60 -2.33 0.00 0.00 0.00 0.00 0.00 33.22 31.49 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 -0.26 1.96 -3.30 3.17 1.02 -1.26 -4.56 120.64 117.40 2awt n GLU 79 Ca 0.41 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.39 2awt n GLU 79 Cb 0.36 0.00 0.07 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 -1.08 -3.43 -2.98 1.62 2.03 -1.26 -2.93 116.55 108.51 2awt n ASP 80 Ca 0.00 -0.50 -0.16 0.00 0.52 0.00 0.00 54.79 54.64 2awt n ASP 80 Cb 0.00 -4.43 0.07 0.00 -0.72 0.00 0.00 41.12 36.04 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 -3.93 -5.83 -2.60 -0.67 1.02 -1.23 -4.96 120.64 102.43 2awt n GLU 81 Ca -0.15 0.68 -0.43 0.00 -0.02 0.00 0.00 57.16 57.24 2awt n GLU 81 Cb 0.61 -5.23 -0.02 0.00 -0.02 0.00 0.00 31.44 26.78 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 -3.73 7.16 -0.52 1.62 2.15 -1.15 -4.84 116.67 117.36 2awt s ASP 82 Ca 0.21 1.60 -0.18 0.00 0.43 0.00 0.00 52.55 54.61 2awt s ASP 82 Cb -0.09 -2.55 0.07 0.00 -0.30 0.00 0.00 42.92 40.05 2awt s ASP 82 CO 0.59 -0.53 0.59 -0.89 -0.17 0.00 0.00 175.17 174.76 2awt s THR 83 N 2.30 4.94 -0.12 1.71 2.01 -1.26 -1.55 115.64 123.68 2awt s THR 83 Ca 0.50 -0.72 -0.20 0.00 0.31 0.00 0.00 61.69 61.58 2awt s THR 83 Cb -0.20 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 2awt s THR 83 CO 0.17 -0.82 0.57 -0.63 -0.69 0.00 0.00 174.62 173.22 2awt s ILE 84 N 2.42 5.12 0.08 1.82 1.01 0.01 -4.86 121.20 126.80 2awt s ILE 84 Ca 0.12 1.13 -0.31 0.00 0.00 0.00 0.00 60.65 61.60 2awt s ILE 84 Cb -0.21 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.29 2awt s ILE 84 CO 0.10 0.27 1.22 -1.81 0.00 0.00 0.00 174.94 174.72 2awt s ASP 85 N 0.78 7.05 0.14 3.58 1.01 -0.60 -2.56 116.67 126.07 2awt s ASP 85 Ca 0.30 2.07 0.07 0.00 0.71 0.00 0.00 52.55 55.71 2awt s ASP 85 Cb -0.16 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 2awt s ASP 85 CO 0.13 -0.49 -0.08 0.54 0.21 0.00 0.00 175.17 175.48 2awt s VAL 86 N 0.99 3.41 -0.32 -1.27 0.11 -1.18 -2.46 120.40 119.67 2awt s VAL 86 Ca 0.59 -1.39 -0.17 0.00 -2.93 0.00 0.00 61.98 58.08 2awt s VAL 86 Cb -0.31 -2.64 -0.01 0.00 -1.53 0.00 0.00 36.38 31.89 2awt s VAL 86 CO 0.30 0.02 0.46 0.12 -3.33 0.00 0.00 175.10 172.67 2awt s PHE 87 N -1.43 3.21 0.00 1.54 2.19 -1.21 -3.80 117.98 118.48 2awt s PHE 87 Ca 0.23 0.24 0.00 0.00 0.33 0.00 0.00 56.93 57.73 2awt s PHE 87 Cb -0.10 -2.80 0.00 0.00 -1.31 0.00 0.00 43.02 38.81 2awt s PHE 87 CO 0.15 -0.44 0.00 0.94 1.83 0.00 0.00 175.22 177.70 2awt n GLN 88 N 5.59 0.00 -2.11 10.12 7.27 -1.26 -4.26 117.38 132.72 2awt n GLN 88 Ca -0.06 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.83 2awt n GLN 88 Cb 0.49 -0.35 -0.03 0.00 2.41 0.00 0.00 30.24 32.76 2awt n GLN 88 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2awt n GLN 89 N -2.69 -1.73 -3.19 3.69 1.13 -1.26 -4.96 117.38 108.37 2awt n GLN 89 Ca 0.00 0.91 -0.24 0.00 -1.94 0.00 0.00 57.00 55.73 2awt n GLN 89 Cb 0.29 -5.45 -0.00 0.00 0.11 0.00 0.00 30.24 25.18 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 -4.52 3.37 -0.34 -1.09 2.00 -1.26 -5.05 119.66 112.78 2awt s GLN 90 Ca 0.00 -0.33 -0.28 0.00 -2.00 0.00 0.00 55.36 52.76 2awt s GLN 90 Cb 0.00 -2.60 0.02 0.00 0.80 0.00 0.00 33.01 31.22 2awt s GLN 90 CO 0.00 -0.00 1.02 0.95 -0.50 0.00 0.00 175.29 176.76 2awt s THR 91 N -2.43 4.53 0.00 -0.34 -4.23 -1.26 -4.69 115.64 107.22 2awt s THR 91 Ca 0.43 1.54 0.00 0.00 -1.18 0.00 0.00 61.69 62.48 2awt s THR 91 Cb -0.10 -4.39 0.00 0.00 1.34 0.00 0.00 72.50 69.36 2awt s THR 91 CO 0.37 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 2awt n GLY 92 N 4.07 0.15 0.00 3.99 0.00 -1.26 -5.12 105.19 107.02 2awt n GLY 92 Ca 0.10 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 4.20 2.93 -0.02 0.00 -1.26 -5.07 105.19 105.97 2awt n GLY 93 Ca 0.00 -1.88 -0.15 0.00 0.00 0.00 0.00 46.02 43.98 2awt n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2awt s VAL 94 N 2.18 0.32 0.00 1.61 0.11 -1.26 -4.58 120.40 118.78 2awt s VAL 94 Ca 0.00 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 2awt s VAL 94 Cb 0.00 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 2awt s VAL 94 CO 0.00 0.10 0.00 -1.22 -3.33 0.00 0.00 175.10 170.65