#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2awt n ALA 2 N 0.00 0.52 -2.59 3.17 0.00 -1.26 -5.18 120.51 115.16 2awt n ALA 2 Ca 0.00 -1.57 -0.13 0.00 0.00 0.00 0.00 53.44 51.74 2awt n ALA 2 Cb 0.00 1.18 -0.07 0.00 0.00 0.00 0.00 19.45 20.55 2awt n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2awt s ASP 3 N -2.89 0.57 0.31 0.00 1.01 -1.26 -5.19 116.67 109.24 2awt s ASP 3 Ca 0.25 -1.39 0.03 0.00 0.71 0.00 0.00 52.55 52.15 2awt s ASP 3 Cb 0.01 0.53 -0.06 0.00 1.01 0.00 0.00 42.92 44.41 2awt s ASP 3 CO 0.18 -1.06 0.08 -1.61 0.21 0.00 0.00 175.17 172.97 2awt s GLU 4 N -3.72 1.60 -0.42 8.23 0.41 -1.26 -5.11 118.70 118.42 2awt s GLU 4 Ca 0.34 -1.89 0.07 0.00 -0.41 0.00 0.00 54.97 53.07 2awt s GLU 4 Cb 0.03 -0.63 0.22 0.00 -1.78 0.00 0.00 34.13 31.97 2awt s GLU 4 CO 0.16 -0.25 0.54 1.63 -0.49 0.00 0.00 175.26 176.85 2awt n LYS 5 N -0.63 0.56 -2.10 1.61 5.02 -1.26 -5.10 118.16 116.26 2awt n LYS 5 Ca -0.02 -2.89 -0.43 0.00 -2.02 0.00 0.00 58.31 52.95 2awt n LYS 5 Cb 0.66 -1.39 -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 -0.40 3.52 -0.25 1.97 0.04 -1.26 -4.87 135.00 133.75 2awt s PRO 6 Ca 0.34 1.41 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 2awt s PRO 6 Cb 0.13 -4.12 -0.11 0.00 0.04 0.00 0.00 34.50 30.44 2awt s PRO 6 CO -0.15 -1.63 -0.31 1.63 0.04 0.00 0.00 177.00 176.58 2awt n LYS 7 N 8.13 0.57 -1.10 4.56 5.02 -1.26 -5.00 118.16 129.08 2awt n LYS 7 Ca 0.20 0.28 -0.30 0.00 -2.02 0.00 0.00 58.31 56.48 2awt n LYS 7 Cb 0.46 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 34.20 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 -2.58 -0.85 0.00 1.97 2.02 -1.26 -5.06 118.70 112.94 2awt s GLU 8 Ca -0.35 0.07 0.00 0.00 0.02 0.00 0.00 54.97 54.70 2awt s GLU 8 Cb 0.12 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.72 2awt s GLU 8 CO 0.48 -3.49 0.00 0.41 0.02 0.00 0.00 175.26 172.67 2awt n GLY 9 N -0.98 1.49 3.04 -1.39 0.00 -1.26 -5.18 105.19 100.92 2awt n GLY 9 Ca 0.11 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 0.09 -0.08 1.61 1.01 -1.26 -5.15 120.40 116.61 2awt s VAL 10 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2awt s VAL 10 Cb 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 36.06 2awt s VAL 10 CO 0.00 -0.40 -0.08 -0.54 0.00 0.00 0.00 175.10 174.08 2awt s LYS 11 N -1.31 1.36 -0.46 2.72 3.01 -1.26 -5.09 119.74 118.71 2awt s LYS 11 Ca -0.14 -0.24 0.03 0.00 -1.01 0.00 0.00 55.97 54.61 2awt s LYS 11 Cb -0.08 -1.33 0.13 0.00 -1.01 0.00 0.00 37.83 35.53 2awt s LYS 11 CO 0.00 -0.14 0.22 0.95 0.51 0.00 0.00 175.35 176.89 2awt s THR 12 N 1.26 1.97 -0.01 2.17 -4.23 -1.26 -4.87 115.64 110.67 2awt s THR 12 Ca -0.04 -2.79 0.17 0.00 -1.18 0.00 0.00 61.69 57.84 2awt s THR 12 Cb -0.14 -2.39 0.29 0.00 1.34 0.00 0.00 72.50 71.60 2awt s THR 12 CO -0.03 -0.81 1.12 -1.84 -0.54 0.00 0.00 174.62 172.52 2awt n GLU 13 N 3.51 0.05 -2.73 3.99 -0.00 -1.26 -4.97 120.64 119.24 2awt n GLU 13 Ca 0.06 -1.69 -0.39 0.00 -0.00 0.00 0.00 57.16 55.14 2awt n GLU 13 Cb 0.35 0.14 0.01 0.00 -0.00 0.00 0.00 31.44 31.93 2awt n GLU 13 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2awt n ASN 14 N 0.28 6.80 -2.27 -1.84 5.15 -1.26 -4.97 115.26 117.16 2awt n ASN 14 Ca -0.06 -3.66 -0.10 0.00 -0.60 0.00 0.00 54.58 50.16 2awt n ASN 14 Cb 0.99 -1.08 -0.03 0.00 -0.53 0.00 0.00 39.78 39.13 2awt n ASN 14 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2awt n ASN 15 N 0.06 -0.74 -3.00 1.20 4.13 -1.26 -5.10 115.26 110.55 2awt n ASN 15 Ca 0.42 -2.22 -0.17 0.00 1.68 0.00 0.00 54.58 54.29 2awt n ASN 15 Cb 0.29 1.44 -0.06 0.00 -1.54 0.00 0.00 39.78 39.91 2awt n ASN 15 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2awt n ASP 16 N -1.92 0.27 -3.18 6.41 -0.08 -1.26 -4.98 116.55 111.81 2awt n ASP 16 Ca 0.02 -2.68 -0.02 0.00 -1.51 0.00 0.00 54.79 50.59 2awt n ASP 16 Cb 0.37 1.05 -0.02 0.00 2.34 0.00 0.00 41.12 44.86 2awt n ASP 16 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2awt s HIS 17 N -2.89 -1.48 0.09 -0.67 -3.43 -1.26 -3.78 115.29 101.86 2awt s HIS 17 Ca 0.24 -0.02 0.01 0.00 -0.80 0.00 0.00 55.06 54.48 2awt s HIS 17 Cb 0.01 0.20 0.01 0.00 -1.43 0.00 0.00 32.58 31.38 2awt s HIS 17 CO 0.17 -1.16 0.12 0.44 -2.00 0.00 0.00 174.74 172.31 2awt n ILE 18 N 4.21 0.00 -4.80 -5.38 -5.35 0.82 -4.93 119.36 103.93 2awt n ILE 18 Ca 0.12 -0.27 -0.25 0.00 -0.27 0.00 0.00 62.75 62.08 2awt n ILE 18 Cb 0.55 -0.98 -0.16 0.00 -1.74 0.00 0.00 39.64 37.32 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 -1.53 2.00 0.00 7.28 2.47 -1.26 -3.17 114.94 120.74 2awt s ASN 19 Ca 0.09 -0.31 -0.09 0.00 0.42 0.00 0.00 52.86 52.97 2awt s ASN 19 Cb -0.01 -0.33 0.01 0.00 -1.45 0.00 0.00 41.25 39.47 2awt s ASN 19 CO 0.06 0.19 0.17 -0.22 -3.72 0.00 0.00 177.10 173.58 2awt s LEU 20 N -0.25 1.41 -0.15 3.21 2.96 -0.98 -3.35 118.68 121.53 2awt s LEU 20 Ca 0.03 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.73 2awt s LEU 20 Cb -0.08 0.80 0.07 0.00 0.50 0.00 0.00 46.19 47.48 2awt s LEU 20 CO 0.00 -0.39 0.32 -1.59 -1.32 0.00 0.00 176.35 173.37 2awt s LYS 21 N -1.39 0.21 -0.25 1.98 -2.85 -0.97 -0.77 119.74 115.70 2awt s LYS 21 Ca -0.14 0.85 -0.19 0.00 -1.00 0.00 0.00 55.97 55.49 2awt s LYS 21 Cb -0.07 0.10 -0.03 0.00 -2.06 0.00 0.00 37.83 35.77 2awt s LYS 21 CO 0.02 -0.27 0.55 0.08 0.10 0.00 0.00 175.35 175.83 2awt s VAL 22 N 2.46 5.05 -0.07 1.79 1.01 -0.06 -0.69 120.40 129.90 2awt s VAL 22 Ca -0.00 0.98 -0.00 0.00 0.00 0.00 0.00 61.98 62.95 2awt s VAL 22 Cb -0.12 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.42 2awt s VAL 22 CO -0.10 0.09 -0.04 0.00 0.00 0.00 0.00 175.10 175.05 2awt s ALA 23 N 2.23 0.85 0.27 5.51 0.00 -0.81 0.04 121.76 129.85 2awt s ALA 23 Ca 0.23 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.70 2awt s ALA 23 Cb -0.16 -0.66 -0.09 0.00 0.00 0.00 0.00 23.12 22.21 2awt s ALA 23 CO 0.09 -0.27 0.95 0.20 0.00 0.00 0.00 175.76 176.73 2awt s GLY 24 N 1.50 3.03 0.63 0.00 0.00 0.29 -3.06 107.32 109.71 2awt s GLY 24 Ca -0.01 0.60 0.41 0.00 0.00 0.00 0.00 44.72 45.72 2awt s GLY 24 CO -0.04 1.14 2.26 -1.61 0.00 0.00 0.00 173.10 174.85 2awt h GLN 25 N 3.85 0.00 0.00 2.90 5.75 -1.86 -3.10 115.11 122.65 2awt h GLN 25 Ca -0.46 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2awt h GLN 25 Cb 1.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.75 2awt h GLN 25 CO 0.67 0.00 0.00 -0.25 -2.65 0.00 0.00 178.83 176.60 2awt n ASP 26 N -2.97 0.00 -2.70 -0.69 8.00 -1.26 -2.53 116.55 114.41 2awt n ASP 26 Ca -0.03 0.35 -0.06 0.00 0.71 0.00 0.00 54.79 55.76 2awt n ASP 26 Cb 0.09 -0.33 0.08 0.00 -0.02 0.00 0.00 41.12 40.94 2awt n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2awt n GLY 27 N 2.06 0.24 3.08 0.44 0.00 -1.20 -4.59 105.19 105.22 2awt n GLY 27 Ca 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.86 1.02 -0.30 1.61 0.01 -1.18 -4.91 113.70 109.09 2awt s SER 28 Ca 0.18 -0.55 -0.15 0.00 1.31 0.00 0.00 55.95 56.74 2awt s SER 28 Cb 0.29 0.02 0.17 0.00 0.21 0.00 0.00 66.02 66.70 2awt s SER 28 CO -0.08 -0.17 1.03 0.54 0.41 0.00 0.00 173.24 174.96 2awt s VAL 29 N -1.33 -0.43 0.00 3.43 0.11 -1.24 -0.54 120.40 120.40 2awt s VAL 29 Ca -0.08 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.98 2awt s VAL 29 Cb -0.10 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 2awt s VAL 29 CO 0.01 0.00 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.06 2awt s VAL 30 N 2.50 0.21 -0.08 2.04 1.01 0.11 -4.95 120.40 121.23 2awt s VAL 30 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 2awt s VAL 30 Cb -0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 2awt s VAL 30 CO -0.16 -0.04 -0.03 -1.10 0.00 0.00 0.00 175.10 173.76 2awt s GLN 31 N -0.34 2.86 0.20 2.72 -0.21 -1.26 -0.88 119.66 122.76 2awt s GLN 31 Ca -0.02 -0.48 -0.11 0.00 0.02 0.00 0.00 55.36 54.77 2awt s GLN 31 Cb -0.03 -2.69 -0.00 0.00 1.00 0.00 0.00 33.01 31.29 2awt s GLN 31 CO -0.00 0.68 0.38 -0.06 -2.12 0.00 0.00 175.29 174.17 2awt s PHE 32 N -0.85 0.38 -0.02 0.91 0.40 0.05 -4.99 117.98 113.86 2awt s PHE 32 Ca 0.13 -0.73 0.03 0.00 -0.60 0.00 0.00 56.93 55.76 2awt s PHE 32 Cb -0.11 0.06 -0.00 0.00 0.51 0.00 0.00 43.02 43.48 2awt s PHE 32 CO 0.02 -0.85 -0.09 -1.59 0.70 0.00 0.00 175.22 173.41 2awt s LYS 33 N -3.99 0.89 0.20 0.44 -2.85 -1.26 -2.31 119.74 110.86 2awt s LYS 33 Ca 0.20 -0.32 -0.23 0.00 -1.00 0.00 0.00 55.97 54.62 2awt s LYS 33 Cb 0.01 -0.84 0.05 0.00 -2.06 0.00 0.00 37.83 34.99 2awt s LYS 33 CO 0.04 0.15 0.70 -1.50 0.10 0.00 0.00 175.35 174.84 2awt s ILE 34 N 0.02 0.00 0.02 3.79 2.07 -1.19 -5.02 121.20 120.89 2awt s ILE 34 Ca -0.00 -0.50 -0.00 0.00 -1.41 0.00 0.00 60.65 58.73 2awt s ILE 34 Cb -0.07 -1.53 0.00 0.00 0.13 0.00 0.00 42.46 41.00 2awt s ILE 34 CO 0.00 0.00 0.01 2.29 -1.91 0.00 0.00 174.94 175.34 2awt n LYS 35 N -0.41 -1.12 -0.10 3.50 2.85 -1.25 -0.12 118.16 121.51 2awt n LYS 35 Ca -0.10 -0.02 -0.20 0.00 -1.05 0.00 0.00 58.31 56.94 2awt n LYS 35 Cb 0.62 -0.02 -0.11 0.00 -0.65 0.00 0.00 35.03 34.86 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 0.00 -2.80 -1.58 3.08 -1.94 -3.40 114.38 107.74 2awt h ARG 36 Ca -0.01 0.00 -0.77 0.00 0.07 0.00 0.00 59.98 59.28 2awt h ARG 36 Cb 0.02 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 29.88 2awt h ARG 36 CO 0.00 0.95 1.81 1.58 -1.07 0.00 0.00 179.97 183.25 2awt n HIS 37 N -4.47 2.65 -4.44 3.04 -0.00 -1.26 -3.58 115.22 107.17 2awt n HIS 37 Ca -0.27 -2.72 -0.34 0.00 0.46 0.00 0.00 57.72 54.85 2awt n HIS 37 Cb 0.62 -1.65 -0.10 0.00 -0.12 0.00 0.00 29.99 28.75 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 -1.67 4.08 -0.29 3.57 -1.32 -1.26 -5.07 115.64 113.68 2awt s THR 38 Ca 0.44 -0.40 -0.29 0.00 -1.21 0.00 0.00 61.69 60.24 2awt s THR 38 Cb 0.15 -2.72 -0.02 0.00 -1.51 0.00 0.00 72.50 68.39 2awt s THR 38 CO -0.05 0.55 1.66 -2.16 -2.21 0.00 0.00 174.62 172.41 2awt s PRO 39 N -1.00 3.58 0.59 7.08 0.04 -1.26 -4.82 135.00 139.20 2awt s PRO 39 Ca 0.14 1.46 0.29 0.00 0.04 0.00 0.00 61.00 62.94 2awt s PRO 39 Cb -0.11 -4.10 1.43 0.00 0.04 0.00 0.00 34.50 31.76 2awt s PRO 39 CO 0.04 -1.56 1.84 -0.07 0.04 0.00 0.00 177.00 177.29 2awt h LEU 40 N 12.56 0.00 -0.16 -3.56 3.38 -1.92 -1.95 115.31 123.66 2awt h LEU 40 Ca -0.33 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.69 2awt h LEU 40 Cb 1.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 2awt h LEU 40 CO 1.03 0.00 -0.44 0.28 0.09 0.00 0.00 178.44 179.39 2awt h SER 41 N 0.00 -1.39 -0.69 -0.43 0.02 -1.96 0.25 113.55 109.35 2awt h SER 41 Ca 0.27 0.18 0.20 0.00 -0.84 0.00 0.00 61.79 61.60 2awt h SER 41 Cb 1.42 0.57 -0.03 0.00 0.14 0.00 0.00 62.40 64.50 2awt h SER 41 CO -0.00 -0.43 0.56 0.07 -1.14 0.00 0.00 176.83 175.89 2awt h LYS 42 N -0.49 0.00 0.20 3.45 2.10 -1.76 0.89 116.57 120.97 2awt h LYS 42 Ca 0.08 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.72 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 -0.43 0.00 -0.10 1.25 -2.00 0.00 0.00 179.45 178.18 2awt h LEU 43 N 0.00 -0.23 -0.52 7.07 5.85 -0.67 -2.91 115.31 123.90 2awt h LEU 43 Ca 0.33 0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.15 2awt h LEU 43 Cb 1.44 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.46 2awt h LEU 43 CO -0.00 0.08 0.08 0.00 -0.34 0.00 0.00 178.44 178.26 2awt h MET 44 N -0.76 0.20 -0.25 1.25 -0.00 -0.61 -0.29 114.93 114.47 2awt h MET 44 Ca -0.03 -0.01 0.06 0.00 -0.00 0.00 0.00 59.70 59.72 2awt h MET 44 Cb 0.21 -0.05 -0.07 0.00 -0.00 0.00 0.00 31.60 31.69 2awt h MET 44 CO 0.05 0.13 -0.26 -0.22 -0.00 0.00 0.00 176.91 176.60 2awt h LYS 45 N 0.21 -0.26 -0.86 -0.10 3.64 -0.97 -1.08 116.57 117.15 2awt h LYS 45 Ca 0.26 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2awt h LYS 45 Cb 0.37 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 2awt h LYS 45 CO -0.36 -0.17 0.51 0.00 -2.27 0.00 0.00 179.45 177.15 2awt h ALA 46 N 0.74 1.28 0.04 5.00 0.00 -1.18 -2.92 119.26 122.22 2awt h ALA 46 Ca 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2awt h ALA 46 Cb 0.48 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2awt h ALA 46 CO -0.40 0.61 -0.43 -0.92 0.00 0.00 0.00 179.25 178.11 2awt h TYR 47 N 1.18 -1.25 -0.83 0.00 5.03 0.22 -1.70 116.97 119.62 2awt h TYR 47 Ca 0.31 0.04 0.17 0.00 2.58 0.00 0.00 58.73 61.82 2awt h TYR 47 Cb -0.04 0.54 -0.10 0.00 1.55 0.00 0.00 36.73 38.68 2awt h TYR 47 CO 0.01 -0.47 0.37 0.00 -1.32 0.00 0.00 178.16 176.75 2awt h GLU 49 N 0.49 0.35 0.00 0.00 4.81 -1.13 0.26 114.58 119.37 2awt h GLU 49 Ca 0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2awt h GLU 49 Cb 0.77 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2awt h GLU 49 CO -0.43 0.23 -0.16 -2.13 -0.73 0.00 0.00 179.01 175.79 2awt n ARG 50 N -4.52 0.10 -2.85 1.92 0.00 0.61 -4.73 116.66 107.20 2awt n ARG 50 Ca 0.22 0.17 -0.34 0.00 -0.00 0.00 0.00 57.85 57.89 2awt n ARG 50 Cb 0.81 -0.82 -0.01 0.00 0.00 0.00 0.00 32.46 32.44 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 -2.84 4.27 -1.98 -0.14 6.02 0.88 -4.94 117.38 118.65 2awt n GLN 51 Ca -0.02 -4.75 -0.42 0.00 -0.01 0.00 0.00 57.00 51.80 2awt n GLN 51 Cb 0.08 -2.36 0.00 0.00 1.02 0.00 0.00 30.24 28.98 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 0.03 4.58 0.12 1.08 0.00 0.92 -4.53 105.19 107.39 2awt n GLY 52 Ca 0.38 -1.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.41 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 9.03 0.32 -5.43 0.99 3.38 -1.92 -3.45 115.31 118.23 2awt h LEU 53 Ca 0.50 -0.72 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 2awt h LEU 53 Cb 0.63 -0.11 -0.18 0.00 0.09 0.00 0.00 40.66 41.10 2awt h LEU 53 CO 1.78 1.64 -0.48 -0.44 0.09 0.00 0.00 178.44 181.02 2awt s SER 54 N -6.82 -1.41 0.60 -0.43 0.01 -1.26 -4.99 113.70 99.40 2awt s SER 54 Ca -0.17 -1.38 0.32 0.00 1.31 0.00 0.00 55.95 56.03 2awt s SER 54 Cb 0.07 1.88 1.89 0.00 0.21 0.00 0.00 66.02 70.07 2awt s SER 54 CO 0.79 -0.10 2.26 0.00 0.41 0.00 0.00 173.24 176.59 2awt h MET 55 N 5.83 0.00 -0.53 12.44 -0.00 -1.92 0.19 114.93 130.95 2awt h MET 55 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 2awt h MET 55 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.73 2awt h MET 55 CO 0.05 0.00 0.00 0.54 -0.00 0.00 0.00 176.91 177.50 2awt n ARG 56 N -3.73 2.38 0.00 -0.10 1.74 -1.26 -4.09 116.66 111.60 2awt n ARG 56 Ca -0.03 -1.64 0.00 0.00 -0.77 0.00 0.00 57.85 55.41 2awt n ARG 56 Cb 0.10 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 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 0.65 0.13 -1.68 5.56 7.27 0.55 -5.03 117.38 124.82 2awt n GLN 57 Ca 0.15 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.80 2awt n GLN 57 Cb 0.50 -0.86 -0.03 0.00 2.41 0.00 0.00 30.24 32.26 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 -1.71 3.05 0.03 1.69 -1.09 -0.40 -4.47 121.20 118.30 2awt s ILE 58 Ca 0.00 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.50 2awt s ILE 58 Cb 0.00 -3.04 -0.02 0.00 -1.58 0.00 0.00 42.46 37.82 2awt s ILE 58 CO 0.00 -0.01 -0.07 -0.60 -1.23 0.00 0.00 174.94 173.03 2awt s ARG 59 N 4.90 0.47 -0.26 2.79 3.52 -1.18 -4.93 118.95 124.26 2awt s ARG 59 Ca 0.90 -0.56 -0.22 0.00 -0.13 0.00 0.00 55.73 55.72 2awt s ARG 59 Cb -0.40 -0.30 -0.01 0.00 -1.56 0.00 0.00 34.95 32.68 2awt s ARG 59 CO 0.39 0.06 0.72 -0.06 -0.81 0.00 0.00 175.30 175.61 2awt s PHE 60 N -0.98 3.27 -0.05 5.12 0.08 -1.26 -0.28 117.98 123.88 2awt s PHE 60 Ca -0.07 0.91 0.00 0.00 0.12 0.00 0.00 56.93 57.90 2awt s PHE 60 Cb -0.07 -2.98 0.02 0.00 -0.57 0.00 0.00 43.02 39.42 2awt s PHE 60 CO 0.00 -0.40 -0.02 1.03 -0.10 0.00 0.00 175.22 175.73 2awt s ARG 61 N 2.70 0.68 0.31 0.44 0.52 0.94 -3.80 118.95 120.75 2awt s ARG 61 Ca 0.30 -0.01 0.06 0.00 -0.52 0.00 0.00 55.73 55.57 2awt s ARG 61 Cb -0.15 -0.84 -0.02 0.00 0.52 0.00 0.00 34.95 34.46 2awt s ARG 61 CO 0.09 -0.17 0.43 0.12 0.02 0.00 0.00 175.30 175.79 2awt s PHE 62 N 1.30 3.17 -1.12 -0.53 5.36 -1.19 -1.89 117.98 123.09 2awt s PHE 62 Ca -0.05 -0.18 -0.08 0.00 -0.96 0.00 0.00 56.93 55.66 2awt s PHE 62 Cb -0.13 -1.88 -0.09 0.00 -0.34 0.00 0.00 43.02 40.57 2awt s PHE 62 CO -0.02 0.11 2.65 -3.47 -1.46 0.00 0.00 175.22 173.03 2awt n ASP 63 N -1.57 6.66 0.00 6.13 2.03 -1.26 -3.03 116.55 125.51 2awt n ASP 63 Ca -0.02 -2.43 0.00 0.00 0.52 0.00 0.00 54.79 52.85 2awt n ASP 63 Cb 0.58 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 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 3.50 0.04 0.00 0.27 0.00 -1.26 -5.16 105.19 102.58 2awt n GLY 64 Ca 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.42 0.00 -0.39 1.61 10.64 -1.17 -5.18 117.38 122.47 2awt n GLN 65 Ca 0.00 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 2awt n GLN 65 Cb 0.00 0.00 0.09 0.00 -0.86 0.00 0.00 30.24 29.47 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 -0.00 -1.83 -4.18 2.61 -0.04 -1.26 -3.17 135.00 127.13 2awt n PRO 66 Ca 0.00 -0.66 -0.19 0.00 -0.04 0.00 0.00 63.50 62.61 2awt n PRO 66 Cb 0.00 -0.62 -0.16 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.74 0.53 0.21 0.52 1.01 -1.25 -4.85 121.20 115.62 2awt s ILE 67 Ca 0.27 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.81 2awt s ILE 67 Cb -0.03 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.89 2awt s ILE 67 CO 0.20 0.21 0.10 0.59 0.00 0.00 0.00 174.94 176.05 2awt n ASN 68 N 3.89 0.62 -2.49 3.58 3.02 -1.26 -4.82 115.26 117.80 2awt n ASN 68 Ca -0.24 -2.17 -0.05 0.00 -0.03 0.00 0.00 54.58 52.09 2awt n ASN 68 Cb 0.52 0.67 -0.00 0.00 -0.61 0.00 0.00 39.78 40.35 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 -0.44 -2.70 -3.69 3.52 0.28 -1.26 -0.54 120.64 115.81 2awt n GLU 69 Ca -0.01 0.23 -0.26 0.00 -0.16 0.00 0.00 57.16 56.96 2awt n GLU 69 Cb 0.33 -4.77 -0.04 0.00 1.43 0.00 0.00 31.44 28.39 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 -2.85 -0.20 -1.31 3.84 5.66 -1.26 -4.82 114.28 113.35 2awt n THR 70 Ca -0.06 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.58 2awt n THR 70 Cb 0.54 -0.60 0.06 0.00 -1.55 0.00 0.00 70.33 68.78 2awt n THR 70 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2awt n ASP 71 N -2.13 -1.49 -4.92 1.09 8.00 0.30 -4.83 116.55 112.57 2awt n ASP 71 Ca 0.06 0.62 -0.26 0.00 0.71 0.00 0.00 54.79 55.92 2awt n ASP 71 Cb 0.48 -1.16 -0.01 0.00 -0.02 0.00 0.00 41.12 40.41 2awt n ASP 71 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2awt s THR 72 N -1.87 4.98 -1.13 -3.53 -4.23 -1.26 -4.93 115.64 103.67 2awt s THR 72 Ca 0.65 -0.03 0.14 0.00 -1.18 0.00 0.00 61.69 61.27 2awt s THR 72 Cb -0.38 -3.86 0.16 0.00 1.34 0.00 0.00 72.50 69.76 2awt s THR 72 CO 0.58 -0.72 1.44 -0.81 -0.54 0.00 0.00 174.62 174.58 2awt n PRO 73 N -2.02 0.06 0.11 3.99 -0.04 -1.26 -2.67 135.00 133.16 2awt n PRO 73 Ca -0.01 0.22 -0.21 0.00 -0.04 0.00 0.00 63.50 63.46 2awt n PRO 73 Cb 0.55 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.36 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 2.55 0.04 -0.42 0.55 0.00 -1.92 -3.12 119.26 116.94 2awt h ALA 74 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2awt h ALA 74 Cb 0.21 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2awt h ALA 74 CO 0.00 0.91 0.00 1.04 0.00 0.00 0.00 179.25 181.20 2awt n GLN 75 N -3.59 3.23 0.00 0.00 6.02 -1.09 -3.72 117.38 118.22 2awt n GLN 75 Ca -0.16 -2.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.80 2awt n GLN 75 Cb 1.07 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 30.48 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 0.57 0.55 -3.49 1.08 4.32 -1.21 -4.96 117.00 113.87 2awt n LEU 76 Ca 0.18 -0.66 -0.21 0.00 -0.02 0.00 0.00 56.01 55.30 2awt n LEU 76 Cb 0.76 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.59 2awt n LEU 76 CO 0.19 0.14 0.01 -0.62 -1.22 0.00 0.00 177.39 175.89 2awt n GLU 77 N -0.22 -1.46 -2.86 3.23 1.02 -1.21 -4.95 120.64 114.20 2awt n GLU 77 Ca 0.00 0.79 -0.22 0.00 -0.02 0.00 0.00 57.16 57.71 2awt n GLU 77 Cb 0.04 -4.53 -0.02 0.00 -0.02 0.00 0.00 31.44 26.91 2awt n GLU 77 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2awt n MET 78 N -3.31 2.37 -1.28 3.49 2.81 -1.18 -5.07 117.12 114.94 2awt n MET 78 Ca -0.10 -4.15 0.00 0.00 -1.81 0.00 0.00 57.70 51.64 2awt n MET 78 Cb 0.59 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 2awt n MET 78 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2awt n GLU 79 N -0.14 2.24 -3.23 0.03 1.02 -1.26 -4.39 120.64 114.92 2awt n GLU 79 Ca 0.28 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.27 2awt n GLU 79 Cb 0.59 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 32.08 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 -1.15 -2.77 -3.02 1.62 2.03 -1.26 -2.95 116.55 109.05 2awt n ASP 80 Ca 0.00 -0.50 -0.18 0.00 0.52 0.00 0.00 54.79 54.63 2awt n ASP 80 Cb 0.00 -4.31 0.07 0.00 -0.72 0.00 0.00 41.12 36.16 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 -3.72 -6.20 -2.33 -0.67 1.02 -1.23 -4.95 120.64 102.55 2awt n GLU 81 Ca -0.19 0.68 -0.41 0.00 -0.02 0.00 0.00 57.16 57.22 2awt n GLU 81 Cb 0.62 -5.27 -0.03 0.00 -0.02 0.00 0.00 31.44 26.74 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 -3.52 7.03 -0.44 1.62 2.15 -1.15 -4.87 116.67 117.49 2awt s ASP 82 Ca 0.33 2.25 -0.18 0.00 0.43 0.00 0.00 52.55 55.39 2awt s ASP 82 Cb -0.15 -2.60 0.03 0.00 -0.30 0.00 0.00 42.92 39.90 2awt s ASP 82 CO 0.60 -0.44 0.47 -0.89 -0.17 0.00 0.00 175.17 174.74 2awt s THR 83 N 0.20 5.06 -0.33 1.71 2.01 -1.26 -2.30 115.64 120.72 2awt s THR 83 Ca 0.55 -0.39 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 2awt s THR 83 Cb -0.33 -4.09 -0.00 0.00 0.01 0.00 0.00 72.50 68.09 2awt s THR 83 CO 0.36 -0.49 0.67 -0.63 -0.69 0.00 0.00 174.62 173.84 2awt s ILE 84 N 2.20 4.88 0.32 1.82 -1.09 0.13 -4.86 121.20 124.60 2awt s ILE 84 Ca 0.12 0.80 -0.27 0.00 -2.23 0.00 0.00 60.65 59.08 2awt s ILE 84 Cb -0.18 -4.07 -0.09 0.00 -1.58 0.00 0.00 42.46 36.54 2awt s ILE 84 CO 0.13 -0.25 1.02 -1.81 -1.23 0.00 0.00 174.94 172.80 2awt s ASP 85 N 1.72 7.19 0.28 3.58 1.11 -0.79 -1.93 116.67 127.82 2awt s ASP 85 Ca 0.27 2.05 0.04 0.00 0.18 0.00 0.00 52.55 55.09 2awt s ASP 85 Cb -0.14 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.22 2awt s ASP 85 CO 0.14 -0.19 0.42 0.54 1.18 0.00 0.00 175.17 177.26 2awt s VAL 86 N -1.41 5.04 -0.26 -1.27 0.11 -1.17 -0.04 120.40 121.39 2awt s VAL 86 Ca 0.49 -0.88 -0.02 0.00 -2.93 0.00 0.00 61.98 58.64 2awt s VAL 86 Cb -0.25 -3.79 0.02 0.00 -1.53 0.00 0.00 36.38 30.83 2awt s VAL 86 CO 0.32 -0.35 -0.03 0.12 -3.33 0.00 0.00 175.10 171.82 2awt s PHE 87 N -2.09 3.09 0.13 1.54 5.36 0.61 -4.41 117.98 122.22 2awt s PHE 87 Ca 0.37 -1.47 0.01 0.00 -0.96 0.00 0.00 56.93 54.89 2awt s PHE 87 Cb -0.09 -2.09 0.01 0.00 -0.34 0.00 0.00 43.02 40.51 2awt s PHE 87 CO 0.31 -0.70 0.11 1.04 -1.46 0.00 0.00 175.22 174.51 2awt n GLN 88 N 4.70 1.27 -0.04 10.12 6.02 -1.26 -3.12 117.38 135.06 2awt n GLN 88 Ca -0.16 -0.83 0.01 0.00 -0.01 0.00 0.00 57.00 56.01 2awt n GLN 88 Cb 0.47 0.08 -0.13 0.00 1.02 0.00 0.00 30.24 31.68 2awt n GLN 88 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2awt n GLN 89 N -0.85 0.98 -2.31 -1.09 -0.06 -1.26 -4.87 117.38 107.92 2awt n GLN 89 Ca -0.00 -0.08 -0.39 0.00 -2.00 0.00 0.00 57.00 54.52 2awt n GLN 89 Cb 0.15 -1.40 -0.03 0.00 -4.06 0.00 0.00 30.24 24.91 2awt n GLN 89 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2awt s GLN 90 N -2.77 2.94 -0.25 3.69 -1.52 -1.26 -4.97 119.66 115.52 2awt s GLN 90 Ca -0.07 0.10 -0.04 0.00 -1.95 0.00 0.00 55.36 53.41 2awt s GLN 90 Cb 0.08 -4.34 0.01 0.00 -0.22 0.00 0.00 33.01 28.54 2awt s GLN 90 CO 0.66 -2.45 -0.02 -0.08 -0.25 0.00 0.00 175.29 173.15 2awt s THR 91 N 7.32 3.31 0.00 -0.19 -1.32 -1.26 -4.89 115.64 118.60 2awt s THR 91 Ca 0.51 -0.73 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 2awt s THR 91 Cb -0.10 -2.61 0.00 0.00 -1.51 0.00 0.00 72.50 68.28 2awt s THR 91 CO 0.16 0.27 0.00 0.61 -2.21 0.00 0.00 174.62 173.45 2awt n GLY 92 N 4.76 -1.99 1.92 6.08 0.00 -1.26 -5.16 105.19 109.55 2awt n GLY 92 Ca -0.17 0.59 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.03 -1.85 2.69 -0.02 0.00 -1.26 -5.07 105.19 98.65 2awt n GLY 93 Ca 0.00 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 2awt n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2awt s VAL 94 N -2.31 0.63 -0.05 1.61 1.01 -1.26 -5.02 120.40 115.02 2awt s VAL 94 Ca 0.38 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2awt s VAL 94 Cb -0.02 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.90 2awt s VAL 94 CO 0.28 -0.65 0.51 -1.22 0.00 0.00 0.00 175.10 174.02