#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 2.85 -0.25 3.04 0.00 -1.26 -5.15 121.76 120.99 2awt s ALA 2 Ca 0.00 -1.30 -0.27 0.00 0.00 0.00 0.00 51.96 50.38 2awt s ALA 2 Cb 0.00 0.77 0.16 0.00 0.00 0.00 0.00 23.12 24.05 2awt s ALA 2 CO 0.00 -0.35 1.22 0.16 0.00 0.00 0.00 175.76 176.79 2awt s ASP 3 N -3.59 -0.22 0.48 0.00 1.47 -1.26 -5.18 116.67 108.36 2awt s ASP 3 Ca 0.25 0.33 0.08 0.00 1.18 0.00 0.00 52.55 54.39 2awt s ASP 3 Cb 0.03 0.30 0.02 0.00 -0.34 0.00 0.00 42.92 42.93 2awt s ASP 3 CO 0.15 -0.14 0.49 -1.61 0.68 0.00 0.00 175.17 174.75 2awt s GLU 4 N -0.50 2.47 -0.44 2.11 2.02 -1.26 -5.09 118.70 118.01 2awt s GLU 4 Ca 0.04 -1.62 0.04 0.00 0.02 0.00 0.00 54.97 53.46 2awt s GLU 4 Cb -0.03 -2.43 0.27 0.00 0.10 0.00 0.00 34.13 32.04 2awt s GLU 4 CO -0.07 -0.43 1.05 0.36 0.02 0.00 0.00 175.26 176.19 2awt n LYS 5 N -1.78 0.64 -2.04 1.61 -0.00 -1.26 -5.10 118.16 110.23 2awt n LYS 5 Ca 0.06 -1.47 -0.36 0.00 -0.00 0.00 0.00 58.31 56.53 2awt n LYS 5 Cb 0.62 -1.02 -0.03 0.00 -0.00 0.00 0.00 35.03 34.60 2awt n LYS 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2awt s PRO 6 N 0.44 2.61 -0.48 -1.58 0.04 -1.26 -4.85 135.00 129.91 2awt s PRO 6 Ca 0.28 0.46 0.08 0.00 0.04 0.00 0.00 61.00 61.87 2awt s PRO 6 Cb 0.24 -4.50 0.32 0.00 0.04 0.00 0.00 34.50 30.60 2awt s PRO 6 CO -0.17 -2.85 0.79 1.63 0.04 0.00 0.00 177.00 176.44 2awt n LYS 7 N 9.13 2.01 -4.11 4.56 4.01 -1.26 -5.05 118.16 127.45 2awt n LYS 7 Ca 0.24 -4.09 -0.33 0.00 -0.51 0.00 0.00 58.31 53.62 2awt n LYS 7 Cb 0.51 -1.92 -0.16 0.00 -0.51 0.00 0.00 35.03 32.95 2awt n LYS 7 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2awt s GLU 8 N -2.70 2.78 0.00 1.97 0.41 -1.26 -4.92 118.70 114.97 2awt s GLU 8 Ca 0.43 -0.97 0.01 0.00 -0.41 0.00 0.00 54.97 54.03 2awt s GLU 8 Cb 0.28 -2.65 0.02 0.00 -1.78 0.00 0.00 34.13 29.99 2awt s GLU 8 CO -0.10 -0.31 0.72 0.41 -0.49 0.00 0.00 175.26 175.49 2awt n GLY 9 N 4.57 0.81 3.19 -1.39 0.00 -1.26 -5.13 105.19 105.98 2awt n GLY 9 Ca -0.19 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 0.08 -0.30 1.61 -7.23 -1.26 -5.15 120.40 108.14 2awt s VAL 10 Ca 0.01 -0.63 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 2awt s VAL 10 Cb 0.01 -0.65 0.16 0.00 0.56 0.00 0.00 36.38 36.46 2awt s VAL 10 CO -0.01 -0.35 0.81 -1.59 -0.31 0.00 0.00 175.10 173.65 2awt s LYS 11 N -1.68 0.43 0.13 4.82 -2.85 -1.26 -5.17 119.74 114.16 2awt s LYS 11 Ca -0.12 1.03 0.06 0.00 -1.00 0.00 0.00 55.97 55.94 2awt s LYS 11 Cb -0.05 0.61 -0.04 0.00 -2.06 0.00 0.00 37.83 36.30 2awt s LYS 11 CO 0.01 -0.22 -0.15 -0.08 0.10 0.00 0.00 175.35 175.02 2awt s THR 12 N 2.72 1.41 0.08 3.79 -1.32 -1.26 -5.15 115.64 115.92 2awt s THR 12 Ca -0.01 -1.74 -0.27 0.00 -1.21 0.00 0.00 61.69 58.46 2awt s THR 12 Cb -0.10 -1.58 0.09 0.00 -1.51 0.00 0.00 72.50 69.40 2awt s THR 12 CO -0.18 -0.39 1.13 -1.83 -2.21 0.00 0.00 174.62 171.13 2awt s GLU 13 N -2.67 0.85 0.12 7.08 -1.05 -1.26 -5.03 118.70 116.73 2awt s GLU 13 Ca 0.10 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 2awt s GLU 13 Cb -0.05 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 2awt s GLU 13 CO 0.04 -0.39 0.00 -1.71 0.95 0.00 0.00 175.26 174.15 2awt n ASN 14 N -0.67 -0.55 -0.08 0.83 5.15 -1.26 -5.01 115.26 113.67 2awt n ASN 14 Ca -0.06 0.21 -0.08 0.00 -0.60 0.00 0.00 54.58 54.06 2awt n ASN 14 Cb 0.61 0.68 -0.03 0.00 -0.53 0.00 0.00 39.78 40.52 2awt n ASN 14 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2awt n ASN 15 N -2.82 1.86 -3.89 1.20 5.15 -1.26 -5.09 115.26 110.40 2awt n ASN 15 Ca 0.00 0.41 -0.08 0.00 -0.60 0.00 0.00 54.58 54.32 2awt n ASN 15 Cb 0.00 -0.77 -0.03 0.00 -0.53 0.00 0.00 39.78 38.45 2awt n ASN 15 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2awt s ASP 16 N -5.81 -0.19 -0.28 1.20 1.01 -1.26 -5.01 116.67 106.33 2awt s ASP 16 Ca -0.24 -0.74 -0.16 0.00 0.71 0.00 0.00 52.55 52.12 2awt s ASP 16 Cb 0.03 0.68 0.09 0.00 1.01 0.00 0.00 42.92 44.73 2awt s ASP 16 CO 0.36 -1.28 0.72 -1.38 0.21 0.00 0.00 175.17 173.80 2awt s HIS 17 N -3.93 -1.02 0.32 4.23 -3.43 -1.26 -3.43 115.29 106.78 2awt s HIS 17 Ca 0.15 2.04 0.03 0.00 -0.80 0.00 0.00 55.06 56.48 2awt s HIS 17 Cb -0.04 0.60 -0.01 0.00 -1.43 0.00 0.00 32.58 31.70 2awt s HIS 17 CO 0.08 -0.50 0.11 0.44 -2.00 0.00 0.00 174.74 172.87 2awt n ILE 18 N 4.22 0.00 -4.31 -5.38 -5.35 0.11 -4.91 119.36 103.74 2awt n ILE 18 Ca -0.20 -1.85 -0.20 0.00 -0.27 0.00 0.00 62.75 60.23 2awt n ILE 18 Cb 0.59 0.66 -0.16 0.00 -1.74 0.00 0.00 39.64 38.98 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 -2.95 1.13 0.09 7.28 2.47 -1.26 -3.04 114.94 118.65 2awt s ASN 19 Ca 0.16 -0.17 0.05 0.00 0.42 0.00 0.00 52.86 53.31 2awt s ASN 19 Cb 0.01 -0.45 -0.03 0.00 -1.45 0.00 0.00 41.25 39.33 2awt s ASN 19 CO 0.11 0.01 -0.12 -0.76 -3.72 0.00 0.00 177.10 172.61 2awt s LEU 20 N 0.57 2.34 -0.13 3.21 1.43 0.53 -2.99 118.68 123.63 2awt s LEU 20 Ca -0.09 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.28 2awt s LEU 20 Cb -0.12 -0.43 0.05 0.00 0.03 0.00 0.00 46.19 45.72 2awt s LEU 20 CO 0.01 -0.15 0.05 -0.54 0.23 0.00 0.00 176.35 175.95 2awt s LYS 21 N -2.20 0.29 -1.02 1.70 1.02 -0.07 0.01 119.74 119.48 2awt s LYS 21 Ca 0.01 -0.05 -0.18 0.00 0.02 0.00 0.00 55.97 55.78 2awt s LYS 21 Cb -0.07 -1.50 0.14 0.00 -0.52 0.00 0.00 37.83 35.88 2awt s LYS 21 CO 0.02 -0.53 1.23 0.08 -0.92 0.00 0.00 175.35 175.23 2awt s VAL 22 N 2.04 4.77 -0.71 3.17 1.01 0.96 0.12 120.40 131.76 2awt s VAL 22 Ca 0.02 -1.84 -0.22 0.00 0.00 0.00 0.00 61.98 59.94 2awt s VAL 22 Cb -0.15 -4.83 0.08 0.00 0.00 0.00 0.00 36.38 31.48 2awt s VAL 22 CO -0.07 -1.56 1.00 0.00 0.00 0.00 0.00 175.10 174.47 2awt s ALA 23 N 2.50 3.14 0.13 5.51 0.00 -0.91 -2.41 121.76 129.72 2awt s ALA 23 Ca 0.36 -1.99 -0.31 0.00 0.00 0.00 0.00 51.96 50.03 2awt s ALA 23 Cb -0.04 -3.91 -0.09 0.00 0.00 0.00 0.00 23.12 19.09 2awt s ALA 23 CO -0.07 -2.83 1.44 0.20 0.00 0.00 0.00 175.76 174.50 2awt s GLY 24 N 3.71 1.86 0.55 0.00 0.00 0.16 -3.19 107.32 110.41 2awt s GLY 24 Ca 0.24 1.19 0.23 0.00 0.00 0.00 0.00 44.72 46.38 2awt s GLY 24 CO 0.07 2.42 2.11 -1.61 0.00 0.00 0.00 173.10 176.10 2awt h GLN 25 N 6.78 0.00 0.00 2.90 4.15 -1.22 -3.12 115.11 124.61 2awt h GLN 25 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.00 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 0.88 0.00 0.00 -3.47 -1.93 0.00 0.00 178.83 174.31 2awt n ASP 26 N -4.26 0.00 -2.69 -0.69 2.03 -1.26 -4.92 116.55 104.76 2awt n ASP 26 Ca 0.01 0.47 -0.06 0.00 0.52 0.00 0.00 54.79 55.73 2awt n ASP 26 Cb 0.27 -0.47 0.07 0.00 -0.72 0.00 0.00 41.12 40.28 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 2.02 0.53 3.39 0.27 0.00 -1.21 -4.54 105.19 105.65 2awt n GLY 27 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.84 2.98 0.00 1.61 0.15 -1.18 -2.56 113.70 113.86 2awt s SER 28 Ca 0.16 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 55.81 2awt s SER 28 Cb 0.28 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 2awt s SER 28 CO -0.07 -0.07 0.00 0.55 1.20 0.00 0.00 173.24 174.86 2awt n VAL 29 N -0.37 0.00 -4.61 4.45 3.14 -1.09 -0.66 118.33 119.19 2awt n VAL 29 Ca -0.08 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.08 2awt n VAL 29 Cb 0.60 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.23 2awt n VAL 29 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2awt s VAL 30 N 0.00 1.19 0.10 1.55 1.01 -1.01 -4.94 120.40 118.30 2awt s VAL 30 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2awt s VAL 30 Cb 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2awt s VAL 30 CO 0.00 0.25 0.25 -1.10 0.00 0.00 0.00 175.10 174.50 2awt s GLN 31 N -0.58 3.45 0.03 2.72 -0.21 -1.26 -0.03 119.66 123.79 2awt s GLN 31 Ca 0.05 -0.47 -0.06 0.00 0.02 0.00 0.00 55.36 54.90 2awt s GLN 31 Cb -0.06 -2.99 -0.01 0.00 1.00 0.00 0.00 33.01 30.94 2awt s GLN 31 CO 0.00 0.56 0.11 -0.06 -2.12 0.00 0.00 175.29 173.79 2awt s PHE 32 N -1.62 0.16 -0.10 0.91 0.40 0.10 -4.97 117.98 112.86 2awt s PHE 32 Ca 0.35 -0.42 -0.04 0.00 -0.60 0.00 0.00 56.93 56.23 2awt s PHE 32 Cb -0.12 -0.11 0.05 0.00 0.51 0.00 0.00 43.02 43.35 2awt s PHE 32 CO 0.28 -0.36 0.21 0.15 0.70 0.00 0.00 175.22 176.20 2awt s LYS 33 N -2.40 0.11 0.29 0.44 1.02 -1.26 -0.35 119.74 117.59 2awt s LYS 33 Ca -0.07 0.61 -0.20 0.00 0.02 0.00 0.00 55.97 56.33 2awt s LYS 33 Cb -0.02 -0.15 0.03 0.00 -0.52 0.00 0.00 37.83 37.17 2awt s LYS 33 CO -0.03 -0.26 0.75 -1.50 -0.92 0.00 0.00 175.35 173.38 2awt s ILE 34 N 2.08 0.00 1.24 2.17 2.07 -1.17 -4.91 121.20 122.68 2awt s ILE 34 Ca -0.01 -0.97 -0.18 0.00 -1.41 0.00 0.00 60.65 58.07 2awt s ILE 34 Cb -0.12 -2.16 0.27 0.00 0.13 0.00 0.00 42.46 40.59 2awt s ILE 34 CO -0.07 0.00 0.60 2.29 -1.91 0.00 0.00 174.94 175.85 2awt n LYS 35 N -0.48 -3.33 0.00 3.50 2.85 -1.22 0.04 118.16 119.52 2awt n LYS 35 Ca -0.05 -0.98 0.13 0.00 -1.05 0.00 0.00 58.31 56.36 2awt n LYS 35 Cb 0.59 -1.77 0.34 0.00 -0.65 0.00 0.00 35.03 33.55 2awt n LYS 35 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2awt n ARG 36 N -3.88 0.36 -2.46 -1.58 1.74 -1.26 -4.09 116.66 105.48 2awt n ARG 36 Ca 0.08 -0.20 -0.27 0.00 -0.77 0.00 0.00 57.85 56.69 2awt n ARG 36 Cb 0.51 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 2awt n ARG 36 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2awt n HIS 37 N -1.15 3.41 -4.17 -1.55 -0.00 -1.26 -3.28 115.22 107.21 2awt n HIS 37 Ca 0.09 -3.09 -0.35 0.00 0.46 0.00 0.00 57.72 54.83 2awt n HIS 37 Cb 0.34 -0.12 -0.10 0.00 -0.12 0.00 0.00 29.99 29.99 2awt n HIS 37 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2awt s THR 38 N -5.52 4.55 -0.19 3.57 2.01 -1.26 -5.07 115.64 113.74 2awt s THR 38 Ca 0.48 -0.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 2awt s THR 38 Cb 0.40 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 2awt s THR 38 CO -0.20 0.52 1.59 -2.16 -0.69 0.00 0.00 174.62 173.68 2awt s PRO 39 N -0.13 3.91 0.62 4.92 0.04 -1.26 -4.74 135.00 138.36 2awt s PRO 39 Ca 0.06 1.76 0.28 0.00 0.04 0.00 0.00 61.00 63.13 2awt s PRO 39 Cb -0.12 -4.00 1.44 0.00 0.04 0.00 0.00 34.50 31.86 2awt s PRO 39 CO 0.02 -1.16 1.84 -0.07 0.04 0.00 0.00 177.00 177.67 2awt h LEU 40 N 11.24 0.00 -0.20 -3.56 4.07 -1.89 -2.17 115.31 122.80 2awt h LEU 40 Ca -0.34 0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.67 2awt h LEU 40 Cb 1.15 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.82 2awt h LEU 40 CO 0.99 0.00 -0.46 0.28 -1.08 0.00 0.00 178.44 178.17 2awt h SER 41 N 0.00 -1.46 -0.54 -0.43 0.02 -1.90 0.32 113.55 109.55 2awt h SER 41 Ca 0.15 0.19 0.16 0.00 -0.84 0.00 0.00 61.79 61.45 2awt h SER 41 Cb 1.13 0.60 -0.02 0.00 0.14 0.00 0.00 62.40 64.25 2awt h SER 41 CO -0.00 -0.43 0.51 0.07 -1.14 0.00 0.00 176.83 175.84 2awt h LYS 42 N -0.48 0.00 0.06 3.45 2.10 -1.80 0.32 116.57 120.23 2awt h LYS 42 Ca 0.08 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2awt h LYS 42 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2awt h LYS 42 CO -0.45 0.00 -0.03 1.25 -2.00 0.00 0.00 179.45 178.22 2awt h LEU 43 N 0.00 -0.07 -1.44 7.07 5.85 -0.54 -3.11 115.31 123.07 2awt h LEU 43 Ca 0.25 0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.09 2awt h LEU 43 Cb 1.27 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 2awt h LEU 43 CO -0.00 0.01 0.50 0.00 -0.34 0.00 0.00 178.44 178.60 2awt h MET 44 N -0.19 0.59 0.13 1.25 -0.00 -0.95 -0.66 114.93 115.10 2awt h MET 44 Ca -0.01 -0.04 0.01 0.00 -0.00 0.00 0.00 59.70 59.66 2awt h MET 44 Cb 0.06 -0.13 -0.03 0.00 -0.00 0.00 0.00 31.60 31.49 2awt h MET 44 CO 0.01 0.39 -0.41 -0.22 -0.00 0.00 0.00 176.91 176.69 2awt h LYS 45 N 0.61 -0.59 -0.49 -0.10 3.64 -0.47 -0.01 116.57 119.16 2awt h LYS 45 Ca 0.36 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.72 2awt h LYS 45 Cb 0.55 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2awt h LYS 45 CO -0.13 -0.39 0.10 0.00 -2.27 0.00 0.00 179.45 176.76 2awt h ALA 46 N -0.81 0.65 -0.01 5.00 0.00 -1.41 -2.51 119.26 120.17 2awt h ALA 46 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2awt h ALA 46 Cb 0.60 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2awt h ALA 46 CO -0.20 0.36 -0.06 -0.92 0.00 0.00 0.00 179.25 178.43 2awt h TYR 47 N 0.68 -0.19 -1.00 0.00 5.03 -0.85 -1.77 116.97 118.88 2awt h TYR 47 Ca 0.15 0.01 0.21 0.00 2.58 0.00 0.00 58.73 61.68 2awt h TYR 47 Cb 0.37 0.08 -0.11 0.00 1.55 0.00 0.00 36.73 38.62 2awt h TYR 47 CO 0.03 -0.07 0.61 0.00 -1.32 0.00 0.00 178.16 177.41 2awt h GLU 49 N 0.67 0.03 0.02 0.00 4.57 -0.86 0.70 114.58 119.71 2awt h GLU 49 Ca 0.59 -0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 58.40 2awt h GLU 49 Cb 1.04 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.56 2awt h GLU 49 CO -0.38 0.02 -2.23 2.89 -1.18 0.00 0.00 179.01 178.13 2awt n ARG 50 N -4.27 0.68 -1.77 1.92 1.85 0.88 -4.40 116.66 111.54 2awt n ARG 50 Ca 0.20 0.15 -0.33 0.00 -1.00 0.00 0.00 57.85 56.87 2awt n ARG 50 Cb 1.01 -1.60 0.05 0.00 -1.05 0.00 0.00 32.46 30.86 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 -3.11 3.01 -1.01 2.89 10.64 -0.28 -4.87 117.38 124.65 2awt n GLN 51 Ca -0.34 -3.70 -0.29 0.00 -1.83 0.00 0.00 57.00 50.84 2awt n GLN 51 Cb 1.06 -2.28 -0.03 0.00 -0.86 0.00 0.00 30.24 28.13 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 -0.73 3.61 0.03 2.61 0.00 0.23 -3.92 105.19 107.03 2awt n GLY 52 Ca 0.54 -1.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 2awt n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2awt n LEU 53 N 3.79 1.37 -2.98 0.99 4.77 -1.26 -4.95 117.00 118.73 2awt n LEU 53 Ca 0.60 -0.02 -0.04 0.00 -0.03 0.00 0.00 56.01 56.53 2awt n LEU 53 Cb 0.22 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 2awt n LEU 53 CO 0.74 0.35 0.08 -0.44 -1.33 0.00 0.00 177.39 176.79 2awt s SER 54 N -4.11 -1.26 0.51 -1.43 0.01 -1.25 -4.99 113.70 101.18 2awt s SER 54 Ca -0.06 -1.42 0.28 0.00 1.31 0.00 0.00 55.95 56.06 2awt s SER 54 Cb 0.02 1.78 1.33 0.00 0.21 0.00 0.00 66.02 69.36 2awt s SER 54 CO 0.19 -0.11 2.00 0.00 0.41 0.00 0.00 173.24 175.73 2awt h MET 55 N 5.88 0.00 0.00 12.44 -0.00 -1.92 -2.03 114.93 129.29 2awt h MET 55 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.75 2awt h MET 55 Cb 1.13 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.72 2awt h MET 55 CO 0.07 0.14 -0.07 0.00 -0.00 0.00 0.00 176.91 177.05 2awt h ARG 56 N 0.00 0.00 0.07 -0.10 3.08 -1.99 -3.06 114.38 112.37 2awt h ARG 56 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 2awt h ARG 56 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 2awt h ARG 56 CO 0.02 0.07 -1.94 0.94 -1.07 0.00 0.00 179.97 177.99 2awt n GLN 57 N -3.19 0.70 -1.96 0.04 -0.06 -0.79 -4.87 117.38 107.25 2awt n GLN 57 Ca 0.00 0.26 -0.42 0.00 -2.00 0.00 0.00 57.00 54.84 2awt n GLN 57 Cb 0.34 -1.72 -0.03 0.00 -4.06 0.00 0.00 30.24 24.77 2awt n GLN 57 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2awt s ILE 58 N -2.57 3.49 -0.22 1.69 -1.09 -1.06 -4.33 121.20 117.11 2awt s ILE 58 Ca -0.16 0.61 -0.08 0.00 -2.23 0.00 0.00 60.65 58.79 2awt s ILE 58 Cb 0.07 -3.40 0.10 0.00 -1.58 0.00 0.00 42.46 37.65 2awt s ILE 58 CO 0.78 -0.05 0.47 -0.13 -1.23 0.00 0.00 174.94 174.78 2awt s ARG 59 N 4.02 0.38 0.00 2.79 0.52 -1.25 -4.95 118.95 120.46 2awt s ARG 59 Ca 0.75 1.11 -0.30 0.00 -0.52 0.00 0.00 55.73 56.77 2awt s ARG 59 Cb -0.35 0.42 -0.04 0.00 0.52 0.00 0.00 34.95 35.51 2awt s ARG 59 CO 0.31 -0.24 1.07 -0.06 0.02 0.00 0.00 175.30 176.40 2awt s PHE 60 N 2.60 3.54 -0.15 -0.53 0.08 -1.26 -3.24 117.98 119.02 2awt s PHE 60 Ca -0.03 1.53 -0.09 0.00 0.12 0.00 0.00 56.93 58.46 2awt s PHE 60 Cb -0.12 -3.24 0.05 0.00 -0.57 0.00 0.00 43.02 39.14 2awt s PHE 60 CO -0.14 -0.52 0.36 0.50 -0.10 0.00 0.00 175.22 175.32 2awt s ARG 61 N 1.23 0.36 0.27 0.44 6.06 -0.18 -4.27 118.95 122.85 2awt s ARG 61 Ca 0.54 0.67 0.06 0.00 -2.50 0.00 0.00 55.73 54.50 2awt s ARG 61 Cb -0.24 0.00 -0.03 0.00 0.06 0.00 0.00 34.95 34.75 2awt s ARG 61 CO 0.27 -0.14 0.30 0.12 -2.50 0.00 0.00 175.30 173.35 2awt s PHE 62 N 1.11 3.22 -0.99 5.12 5.36 -1.19 -0.70 117.98 129.91 2awt s PHE 62 Ca -0.07 -0.11 -0.07 0.00 -0.96 0.00 0.00 56.93 55.71 2awt s PHE 62 Cb -0.08 -1.57 -0.11 0.00 -0.34 0.00 0.00 43.02 40.92 2awt s PHE 62 CO -0.09 0.40 2.70 -3.47 -1.46 0.00 0.00 175.22 173.29 2awt n ASP 63 N -1.34 6.39 0.00 6.13 2.03 -1.26 -3.02 116.55 125.48 2awt n ASP 63 Ca -0.07 -2.42 0.00 0.00 0.52 0.00 0.00 54.79 52.82 2awt n ASP 63 Cb 0.58 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 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 3.40 0.03 3.65 0.27 0.00 -1.26 -5.16 105.19 106.11 2awt n GLY 64 Ca 0.57 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.53 0.02 0.70 1.61 -2.07 -1.17 -5.18 119.66 113.04 2awt s GLN 65 Ca 0.00 -0.01 -0.12 0.00 -1.82 0.00 0.00 55.36 53.42 2awt s GLN 65 Cb 0.00 0.01 0.17 0.00 -1.09 0.00 0.00 33.01 32.10 2awt s GLN 65 CO 0.00 -0.01 0.62 -0.35 -1.32 0.00 0.00 175.29 174.23 2awt n PRO 66 N 0.08 -2.24 -3.89 9.60 -0.04 -1.26 -3.17 135.00 134.08 2awt n PRO 66 Ca 0.05 -0.99 -0.12 0.00 -0.04 0.00 0.00 63.50 62.40 2awt n PRO 66 Cb 0.57 -0.93 -0.14 0.00 -0.04 0.00 0.00 33.50 32.96 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 -2.12 0.02 0.19 0.52 1.01 -1.26 -4.86 121.20 114.71 2awt s ILE 67 Ca 0.40 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.95 2awt s ILE 67 Cb -0.04 -0.05 0.02 0.00 0.01 0.00 0.00 42.46 42.40 2awt s ILE 67 CO 0.31 -0.06 0.18 0.59 0.00 0.00 0.00 174.94 175.96 2awt n ASN 68 N 2.88 1.36 0.08 3.58 3.02 -1.26 -5.00 115.26 119.92 2awt n ASN 68 Ca -0.14 -1.62 0.05 0.00 -0.03 0.00 0.00 54.58 52.84 2awt n ASN 68 Cb 0.59 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 2awt n ASN 68 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2awt h GLU 69 N 0.00 0.00 -0.93 3.52 9.09 -2.03 -3.33 114.58 120.89 2awt h GLU 69 Ca -0.11 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.74 2awt h GLU 69 Cb 0.44 0.00 -0.29 0.00 -1.65 0.00 0.00 28.75 27.25 2awt h GLU 69 CO 0.17 0.18 0.62 -2.37 0.05 0.00 0.00 179.01 177.66 2awt n THR 70 N -2.85 3.30 -4.61 -1.06 5.66 -1.26 -4.87 114.28 108.58 2awt n THR 70 Ca -0.04 -2.50 -0.28 0.00 -3.05 0.00 0.00 64.05 58.18 2awt n THR 70 Cb 0.70 -0.77 -0.11 0.00 -1.55 0.00 0.00 70.33 68.61 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 -1.72 3.71 0.06 1.09 -1.08 -1.25 -5.17 116.67 112.31 2awt s ASP 71 Ca 0.59 -1.41 -0.05 0.00 -0.52 0.00 0.00 52.55 51.17 2awt s ASP 71 Cb 0.48 -0.25 -0.02 0.00 -1.46 0.00 0.00 42.92 41.67 2awt s ASP 71 CO 0.05 -0.52 0.08 0.42 0.52 0.00 0.00 175.17 175.72 2awt s THR 72 N -2.80 0.18 -1.14 1.71 -4.23 -1.26 -4.69 115.64 103.40 2awt s THR 72 Ca 0.32 -1.46 0.14 0.00 -1.18 0.00 0.00 61.69 59.51 2awt s THR 72 Cb 0.09 -1.37 0.16 0.00 1.34 0.00 0.00 72.50 72.72 2awt s THR 72 CO 0.16 -0.81 1.44 -0.81 -0.54 0.00 0.00 174.62 174.06 2awt n PRO 73 N 0.11 0.07 0.16 3.99 -0.04 -1.26 -2.33 135.00 135.70 2awt n PRO 73 Ca -0.15 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 2awt n PRO 73 Cb 0.61 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.63 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 2.56 0.74 -0.25 0.55 0.00 -1.95 -3.06 119.26 117.84 2awt h ALA 74 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2awt h ALA 74 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2awt h ALA 74 CO 0.00 0.51 0.00 1.04 0.00 0.00 0.00 179.25 180.80 2awt n GLN 75 N -3.21 2.80 -0.00 0.00 6.02 -0.99 -4.45 117.38 117.55 2awt n GLN 75 Ca 0.02 -2.26 0.02 0.00 -0.01 0.00 0.00 57.00 54.77 2awt n GLN 75 Cb 0.69 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 30.50 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 -0.05 0.05 -1.44 1.08 7.99 -1.17 -4.98 117.00 118.48 2awt n LEU 76 Ca 0.13 -0.15 -0.16 0.00 -0.01 0.00 0.00 56.01 55.82 2awt n LEU 76 Cb 0.56 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.82 2awt n LEU 76 CO 0.09 0.01 -0.17 -0.62 -1.51 0.00 0.00 177.39 175.19 2awt n GLU 77 N -1.46 -1.18 -2.42 3.23 1.02 -1.16 -4.90 120.64 113.77 2awt n GLU 77 Ca -0.00 0.98 -0.43 0.00 -0.02 0.00 0.00 57.16 57.69 2awt n GLU 77 Cb 0.08 -5.24 0.00 0.00 -0.02 0.00 0.00 31.44 26.27 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 -2.54 3.59 -1.51 3.49 0.00 -1.25 -4.90 117.12 114.01 2awt n MET 78 Ca -0.17 -3.57 0.00 0.00 0.00 0.00 0.00 57.70 53.95 2awt n MET 78 Cb 0.57 -2.94 0.00 0.00 0.00 0.00 0.00 33.22 30.85 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 4.10 0.00 -3.17 3.17 1.02 -1.26 -4.80 120.64 119.71 2awt n GLU 79 Ca 0.39 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.39 2awt n GLU 79 Cb 0.37 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.86 2awt n GLU 79 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2awt n ASP 80 N -2.23 -2.57 -3.52 1.62 8.00 -1.26 -3.03 116.55 113.57 2awt n ASP 80 Ca 0.00 -0.48 -0.20 0.00 0.71 0.00 0.00 54.79 54.82 2awt n ASP 80 Cb 0.00 -4.14 0.08 0.00 -0.02 0.00 0.00 41.12 37.04 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 -3.56 -7.15 -1.96 -1.24 1.02 -1.16 -4.98 120.64 101.60 2awt n GLU 81 Ca -0.19 0.83 -0.32 0.00 -0.02 0.00 0.00 57.16 57.46 2awt n GLU 81 Cb 0.62 -5.85 0.01 0.00 -0.02 0.00 0.00 31.44 26.20 2awt n GLU 81 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2awt s ASP 82 N -3.89 5.99 -0.29 1.62 -4.77 -1.17 -4.86 116.67 109.30 2awt s ASP 82 Ca 0.27 1.61 0.00 0.00 -3.30 0.00 0.00 52.55 51.13 2awt s ASP 82 Cb -0.12 -2.50 0.06 0.00 -1.09 0.00 0.00 42.92 39.27 2awt s ASP 82 CO 0.73 -1.03 -0.03 -0.89 0.70 0.00 0.00 175.17 174.66 2awt s THR 83 N -2.82 2.68 -0.20 2.11 2.01 -1.26 -0.89 115.64 117.26 2awt s THR 83 Ca 0.59 -1.56 -0.21 0.00 0.31 0.00 0.00 61.69 60.82 2awt s THR 83 Cb -0.13 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 2awt s THR 83 CO 0.44 -0.13 0.64 -0.63 -0.69 0.00 0.00 174.62 174.25 2awt s ILE 84 N 1.17 5.01 0.06 1.82 1.09 0.12 -4.75 121.20 125.72 2awt s ILE 84 Ca -0.05 1.21 -0.30 0.00 -1.10 0.00 0.00 60.65 60.41 2awt s ILE 84 Cb -0.20 -3.96 -0.05 0.00 -1.06 0.00 0.00 42.46 37.20 2awt s ILE 84 CO -0.03 0.10 1.06 -1.81 -0.10 0.00 0.00 174.94 174.16 2awt s ASP 85 N 1.22 7.28 -0.01 3.58 1.11 0.12 -2.13 116.67 127.84 2awt s ASP 85 Ca 0.29 1.85 0.01 0.00 0.18 0.00 0.00 52.55 54.89 2awt s ASP 85 Cb -0.16 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.25 2awt s ASP 85 CO 0.10 -0.29 -0.04 -0.69 1.18 0.00 0.00 175.17 175.43 2awt s VAL 86 N 0.70 0.32 -0.25 -1.27 1.01 -1.19 -1.01 120.40 118.71 2awt s VAL 86 Ca 0.53 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 62.10 2awt s VAL 86 Cb -0.25 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.84 2awt s VAL 86 CO 0.30 0.10 0.90 0.12 0.00 0.00 0.00 175.10 176.52 2awt s PHE 87 N 0.06 3.29 0.34 5.22 2.19 -1.20 -0.70 117.98 127.18 2awt s PHE 87 Ca -0.00 1.19 0.08 0.00 0.33 0.00 0.00 56.93 58.53 2awt s PHE 87 Cb -0.03 -3.19 -0.05 0.00 -1.31 0.00 0.00 43.02 38.44 2awt s PHE 87 CO -0.00 -0.48 0.10 -0.65 1.83 0.00 0.00 175.22 176.02 2awt s GLN 88 N 3.03 2.26 -0.02 10.12 -1.52 -1.26 -3.08 119.66 129.18 2awt s GLN 88 Ca 0.38 -1.64 0.02 0.00 -1.95 0.00 0.00 55.36 52.17 2awt s GLN 88 Cb -0.15 -2.07 -0.03 0.00 -0.22 0.00 0.00 33.01 30.54 2awt s GLN 88 CO 0.08 0.11 0.02 0.94 -0.25 0.00 0.00 175.29 176.19 2awt n GLN 89 N -1.08 3.02 -4.17 2.91 -0.06 -1.26 -4.60 117.38 112.13 2awt n GLN 89 Ca -0.03 -0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.72 2awt n GLN 89 Cb 0.62 -1.06 -0.06 0.00 -4.06 0.00 0.00 30.24 25.68 2awt n GLN 89 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 2awt s GLN 90 N -2.08 2.66 0.29 3.69 2.00 -1.26 -5.06 119.66 119.90 2awt s GLN 90 Ca -0.01 -1.13 0.06 0.00 -2.00 0.00 0.00 55.36 52.28 2awt s GLN 90 Cb 0.01 -2.43 -0.02 0.00 0.80 0.00 0.00 33.01 31.37 2awt s GLN 90 CO 0.10 0.42 0.41 0.95 -0.50 0.00 0.00 175.29 176.67 2awt s THR 91 N -2.04 4.56 0.00 -0.34 -4.23 -1.26 -4.29 115.64 108.04 2awt s THR 91 Ca 0.31 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 2awt s THR 91 Cb -0.08 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.17 2awt s THR 91 CO 0.22 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 2awt n GLY 92 N -1.53 0.33 0.00 3.99 0.00 -1.06 -5.02 105.19 101.90 2awt n GLY 92 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.17 3.06 -0.02 0.00 -1.24 -5.08 105.19 102.07 2awt n GLY 93 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.40 -2.48 1.61 -7.23 -1.26 -5.04 120.40 106.40 2awt s VAL 94 Ca 0.00 -1.22 0.20 0.00 -1.81 0.00 0.00 61.98 59.15 2awt s VAL 94 Cb 0.00 -0.74 0.16 0.00 0.56 0.00 0.00 36.38 36.36 2awt s VAL 94 CO 0.00 -0.54 1.13 0.00 -0.31 0.00 0.00 175.10 175.37