#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 0.95 -3.84 3.04 0.00 -1.26 -5.13 120.51 114.27 2awt n ALA 2 Ca 0.00 -1.89 -0.06 0.00 0.00 0.00 0.00 53.44 51.49 2awt n ALA 2 Cb 0.00 0.63 0.02 0.00 0.00 0.00 0.00 19.45 20.09 2awt n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2awt s ASP 3 N -4.05 -0.02 0.74 0.00 2.15 -1.26 -5.07 116.67 109.17 2awt s ASP 3 Ca 0.43 -0.87 -0.11 0.00 0.43 0.00 0.00 52.55 52.42 2awt s ASP 3 Cb -0.03 0.67 0.03 0.00 -0.30 0.00 0.00 42.92 43.29 2awt s ASP 3 CO 0.27 -1.32 1.09 -1.61 -0.17 0.00 0.00 175.17 173.43 2awt s GLU 4 N -2.36 2.58 -0.67 4.34 2.02 -1.26 -5.03 118.70 118.32 2awt s GLU 4 Ca 0.18 0.59 0.05 0.00 0.02 0.00 0.00 54.97 55.82 2awt s GLU 4 Cb -0.04 -1.98 0.24 0.00 0.10 0.00 0.00 34.13 32.45 2awt s GLU 4 CO 0.08 -1.26 0.74 1.63 0.02 0.00 0.00 175.26 176.46 2awt n LYS 5 N -3.19 2.50 -2.20 1.61 4.01 -1.26 -4.72 118.16 114.92 2awt n LYS 5 Ca 0.07 -4.64 -0.42 0.00 -0.51 0.00 0.00 58.31 52.81 2awt n LYS 5 Cb 0.56 -2.28 -0.03 0.00 -0.51 0.00 0.00 35.03 32.78 2awt n LYS 5 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2awt s PRO 6 N -2.33 4.33 -0.08 1.97 0.04 -1.26 -4.92 135.00 132.76 2awt s PRO 6 Ca 0.37 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.44 2awt s PRO 6 Cb 0.11 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 2awt s PRO 6 CO -0.03 -0.42 -0.08 1.63 0.04 0.00 0.00 177.00 178.14 2awt n LYS 7 N 3.96 0.18 -2.43 4.56 4.76 -1.26 -4.91 118.16 123.02 2awt n LYS 7 Ca 0.11 0.05 -0.40 0.00 -2.87 0.00 0.00 58.31 55.20 2awt n LYS 7 Cb 0.43 -1.05 -0.03 0.00 -1.84 0.00 0.00 35.03 32.53 2awt n LYS 7 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2awt s GLU 8 N -2.15 3.10 -1.17 1.97 2.02 -1.26 -4.92 118.70 116.29 2awt s GLU 8 Ca -0.10 -0.17 -0.06 0.00 0.02 0.00 0.00 54.97 54.66 2awt s GLU 8 Cb 0.03 -4.38 0.24 0.00 0.10 0.00 0.00 34.13 30.12 2awt s GLU 8 CO 0.17 -2.32 1.67 0.41 0.02 0.00 0.00 175.26 175.21 2awt n GLY 9 N 5.66 5.00 2.06 -1.39 0.00 -1.26 -4.70 105.19 110.55 2awt n GLY 9 Ca 0.11 -2.41 -0.25 0.00 0.00 0.00 0.00 46.02 43.47 2awt n GLY 9 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2awt n VAL 10 N 2.22 2.59 -3.65 1.61 0.24 -1.26 -5.01 118.33 115.07 2awt n VAL 10 Ca 0.32 -4.17 -0.15 0.00 -2.04 0.00 0.00 64.34 58.30 2awt n VAL 10 Cb 0.34 -1.15 -0.08 0.00 -1.47 0.00 0.00 33.84 31.49 2awt n VAL 10 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2awt s LYS 11 N -3.61 0.81 -0.03 7.34 -2.85 -1.26 -5.18 119.74 114.96 2awt s LYS 11 Ca 0.52 0.18 -0.21 0.00 -1.00 0.00 0.00 55.97 55.46 2awt s LYS 11 Cb 0.42 0.38 0.04 0.00 -2.06 0.00 0.00 37.83 36.60 2awt s LYS 11 CO 0.03 -0.22 0.45 0.95 0.10 0.00 0.00 175.35 176.67 2awt s THR 12 N -0.93 0.03 0.28 3.79 -4.23 -1.26 -5.18 115.64 108.14 2awt s THR 12 Ca -0.10 -0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.15 2awt s THR 12 Cb -0.03 -0.76 0.02 0.00 1.34 0.00 0.00 72.50 73.07 2awt s THR 12 CO 0.06 -0.15 0.17 -1.84 -0.54 0.00 0.00 174.62 172.31 2awt n GLU 13 N 1.19 1.13 -3.13 3.99 0.28 -1.26 -5.08 120.64 117.76 2awt n GLU 13 Ca -0.20 -1.79 -0.45 0.00 -0.16 0.00 0.00 57.16 54.56 2awt n GLU 13 Cb 0.56 0.25 -0.04 0.00 1.43 0.00 0.00 31.44 33.65 2awt n GLU 13 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2awt s ASN 14 N -2.61 6.29 0.00 -1.84 -0.87 -1.26 -4.67 114.94 109.98 2awt s ASN 14 Ca 0.13 -1.66 0.00 0.00 -1.57 0.00 0.00 52.86 49.76 2awt s ASN 14 Cb -0.01 -2.30 0.00 0.00 -0.02 0.00 0.00 41.25 38.92 2awt s ASN 14 CO 0.08 -1.04 0.00 0.59 -2.57 0.00 0.00 177.10 174.16 2awt n ASN 15 N 6.03 0.00 -3.67 -1.22 3.02 -1.26 -5.18 115.26 112.99 2awt n ASN 15 Ca -0.04 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.45 2awt n ASN 15 Cb 0.43 0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.77 2awt n ASN 15 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2awt s ASP 16 N 0.32 -0.27 -0.29 6.41 1.01 -1.26 -4.90 116.67 117.68 2awt s ASP 16 Ca 0.00 -0.28 0.03 0.00 0.71 0.00 0.00 52.55 53.01 2awt s ASP 16 Cb 0.00 0.49 0.20 0.00 1.01 0.00 0.00 42.92 44.62 2awt s ASP 16 CO 0.00 -0.88 0.61 -1.38 0.21 0.00 0.00 175.17 173.73 2awt s HIS 17 N -3.35 -1.72 0.34 4.23 -3.43 -1.26 -4.20 115.29 105.89 2awt s HIS 17 Ca 0.09 1.29 0.03 0.00 -0.80 0.00 0.00 55.06 55.67 2awt s HIS 17 Cb -0.02 0.40 0.03 0.00 -1.43 0.00 0.00 32.58 31.56 2awt s HIS 17 CO -0.02 -0.98 0.22 0.44 -2.00 0.00 0.00 174.74 172.40 2awt n ILE 18 N 5.42 0.00 -4.95 -5.38 -5.35 -0.32 -4.98 119.36 103.80 2awt n ILE 18 Ca 0.03 -1.36 -0.27 0.00 -0.27 0.00 0.00 62.75 60.88 2awt n ILE 18 Cb 0.53 -0.15 -0.16 0.00 -1.74 0.00 0.00 39.64 38.12 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 -2.96 2.35 0.04 7.28 2.47 -1.26 -3.24 114.94 119.62 2awt s ASN 19 Ca 0.17 -0.37 -0.00 0.00 0.42 0.00 0.00 52.86 53.07 2awt s ASN 19 Cb -0.01 -0.44 -0.03 0.00 -1.45 0.00 0.00 41.25 39.32 2awt s ASN 19 CO 0.11 0.21 -0.03 -0.76 -3.72 0.00 0.00 177.10 172.91 2awt s LEU 20 N -0.26 2.39 -0.19 3.21 1.43 -0.37 -3.08 118.68 121.81 2awt s LEU 20 Ca 0.03 -0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 52.30 2awt s LEU 20 Cb -0.10 0.14 0.06 0.00 0.03 0.00 0.00 46.19 46.32 2awt s LEU 20 CO 0.01 -0.47 0.02 -0.54 0.23 0.00 0.00 176.35 175.59 2awt s LYS 21 N -2.96 0.81 -0.91 1.70 1.02 0.11 -0.66 119.74 118.86 2awt s LYS 21 Ca -0.02 -0.46 -0.19 0.00 0.02 0.00 0.00 55.97 55.32 2awt s LYS 21 Cb 0.01 -2.09 0.13 0.00 -0.52 0.00 0.00 37.83 35.36 2awt s LYS 21 CO -0.06 -0.60 1.12 0.08 -0.92 0.00 0.00 175.35 174.97 2awt s VAL 22 N 1.80 4.69 -0.01 3.17 1.01 -0.37 -1.26 120.40 129.43 2awt s VAL 22 Ca -0.01 -1.48 0.07 0.00 0.00 0.00 0.00 61.98 60.56 2awt s VAL 22 Cb -0.17 -4.78 -0.02 0.00 0.00 0.00 0.00 36.38 31.42 2awt s VAL 22 CO -0.08 -1.51 -0.23 0.00 0.00 0.00 0.00 175.10 173.28 2awt s ALA 23 N 2.81 1.95 -0.01 5.51 0.00 -1.24 -1.06 121.76 129.72 2awt s ALA 23 Ca 0.32 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 2awt s ALA 23 Cb -0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 2awt s ALA 23 CO -0.08 0.48 0.10 0.20 0.00 0.00 0.00 175.76 176.45 2awt s GLY 24 N -0.64 2.04 0.64 0.00 0.00 0.18 -0.44 107.32 109.10 2awt s GLY 24 Ca 0.09 -0.84 0.41 0.00 0.00 0.00 0.00 44.72 44.37 2awt s GLY 24 CO -0.00 -0.72 2.25 0.06 0.00 0.00 0.00 173.10 174.69 2awt h GLN 25 N 4.10 0.00 0.00 2.90 3.07 -1.78 -3.11 115.11 120.29 2awt h GLN 25 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 2awt h GLN 25 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 2awt h GLN 25 CO 0.63 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 179.30 2awt n ASP 26 N -2.97 0.00 -2.69 0.06 9.92 -1.26 -4.87 116.55 114.74 2awt n ASP 26 Ca -0.03 0.34 -0.06 0.00 -0.53 0.00 0.00 54.79 54.51 2awt n ASP 26 Cb 0.11 -0.33 0.08 0.00 -0.64 0.00 0.00 41.12 40.34 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 2.09 0.34 3.19 0.44 0.00 -1.20 -4.71 105.19 105.34 2awt n GLY 27 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.83 1.73 -0.30 1.61 0.01 -1.18 -3.25 113.70 111.49 2awt s SER 28 Ca 0.17 -0.68 -0.17 0.00 1.31 0.00 0.00 55.95 56.58 2awt s SER 28 Cb 0.28 -0.05 0.18 0.00 0.21 0.00 0.00 66.02 66.64 2awt s SER 28 CO -0.07 -0.11 1.19 0.54 0.41 0.00 0.00 173.24 175.20 2awt s VAL 29 N -1.58 -0.14 -0.23 3.43 0.11 -1.21 -0.64 120.40 120.13 2awt s VAL 29 Ca 0.01 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.03 2awt s VAL 29 Cb -0.08 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.89 2awt s VAL 29 CO 0.02 0.00 0.35 -0.69 -3.33 0.00 0.00 175.10 171.45 2awt s VAL 30 N 2.78 -0.54 0.28 2.04 1.01 -0.23 -4.93 120.40 120.82 2awt s VAL 30 Ca -0.06 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2awt s VAL 30 Cb -0.07 -0.75 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 2awt s VAL 30 CO -0.10 -0.11 1.02 0.00 0.00 0.00 0.00 175.10 175.92 2awt s GLN 31 N 2.50 4.66 0.13 2.72 -2.07 -1.26 -1.23 119.66 125.11 2awt s GLN 31 Ca 0.10 1.62 -0.13 0.00 -1.82 0.00 0.00 55.36 55.13 2awt s GLN 31 Cb -0.15 -3.12 0.02 0.00 -1.09 0.00 0.00 33.01 28.67 2awt s GLN 31 CO -0.14 0.29 0.33 -0.06 -1.32 0.00 0.00 175.29 174.38 2awt s PHE 32 N -1.26 0.01 0.11 9.60 0.08 0.17 -4.95 117.98 121.73 2awt s PHE 32 Ca 0.45 -0.38 0.08 0.00 0.12 0.00 0.00 56.93 57.21 2awt s PHE 32 Cb -0.28 0.12 -0.04 0.00 -0.57 0.00 0.00 43.02 42.26 2awt s PHE 32 CO 0.35 -0.67 -0.15 -1.59 -0.10 0.00 0.00 175.22 173.05 2awt s LYS 33 N -3.85 1.92 0.06 0.44 -2.85 -1.26 -1.24 119.74 112.96 2awt s LYS 33 Ca 0.06 -1.11 -0.22 0.00 -1.00 0.00 0.00 55.97 53.70 2awt s LYS 33 Cb 0.03 -2.18 0.05 0.00 -2.06 0.00 0.00 37.83 33.67 2awt s LYS 33 CO -0.09 0.50 0.53 -1.50 0.10 0.00 0.00 175.35 174.89 2awt s ILE 34 N -1.15 0.03 0.67 3.79 1.10 -1.20 -5.00 121.20 119.44 2awt s ILE 34 Ca 0.19 -0.22 -0.11 0.00 -0.51 0.00 0.00 60.65 59.99 2awt s ILE 34 Cb -0.11 -0.99 0.17 0.00 0.15 0.00 0.00 42.46 41.68 2awt s ILE 34 CO 0.11 -0.12 0.65 0.29 -2.11 0.00 0.00 174.94 173.75 2awt n LYS 35 N 0.29 -1.95 0.08 3.50 4.01 -1.26 -1.18 118.16 121.66 2awt n LYS 35 Ca -0.18 -1.03 -0.11 0.00 -0.51 0.00 0.00 58.31 56.48 2awt n LYS 35 Cb 0.61 -0.90 -0.08 0.00 -0.51 0.00 0.00 35.03 34.15 2awt n LYS 35 CO 0.00 0.00 0.00 -0.09 -1.11 0.00 0.00 177.40 176.20 2awt h ARG 36 N 0.00 -0.25 -3.55 1.97 2.43 -1.91 -3.39 114.38 109.67 2awt h ARG 36 Ca -0.24 0.02 -0.73 0.00 -0.81 0.00 0.00 59.98 58.22 2awt h ARG 36 Cb 0.71 0.06 -0.32 0.00 -0.42 0.00 0.00 29.97 29.99 2awt h ARG 36 CO 0.16 0.15 -0.09 -3.38 -1.51 0.00 0.00 179.97 175.29 2awt s HIS 37 N -3.71 3.72 -0.04 2.20 -3.43 -1.26 -3.98 115.29 108.79 2awt s HIS 37 Ca -0.13 -2.64 0.01 0.00 -0.80 0.00 0.00 55.06 51.50 2awt s HIS 37 Cb 0.01 -3.42 0.02 0.00 -1.43 0.00 0.00 32.58 27.76 2awt s HIS 37 CO 0.49 -0.86 -0.03 0.99 -2.00 0.00 0.00 174.74 173.33 2awt s THR 38 N -0.52 0.41 -0.16 -5.38 2.01 -1.26 -5.12 115.64 105.63 2awt s THR 38 Ca 0.22 -0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 2awt s THR 38 Cb -0.13 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 2awt s THR 38 CO -0.08 0.19 1.56 -2.16 -0.69 0.00 0.00 174.62 173.45 2awt s PRO 39 N 0.91 4.00 0.63 4.92 0.04 -1.26 -4.86 135.00 139.38 2awt s PRO 39 Ca -0.11 1.83 0.28 0.00 0.04 0.00 0.00 61.00 63.04 2awt s PRO 39 Cb -0.14 -3.97 1.46 0.00 0.04 0.00 0.00 34.50 31.89 2awt s PRO 39 CO -0.00 -1.04 1.85 -0.07 0.04 0.00 0.00 177.00 177.77 2awt h LEU 40 N 10.85 0.00 -0.27 -3.56 3.38 -1.85 -2.43 115.31 121.43 2awt h LEU 40 Ca -0.34 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.67 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 0.98 0.00 -0.55 0.77 0.09 0.00 0.00 178.44 179.73 2awt h SER 41 N 0.00 -1.81 -0.83 -0.43 4.64 -1.89 0.39 113.55 113.62 2awt h SER 41 Ca 0.10 0.23 0.24 0.00 -0.47 0.00 0.00 61.79 61.89 2awt h SER 41 Cb 1.01 0.72 -0.03 0.00 -0.31 0.00 0.00 62.40 63.79 2awt h SER 41 CO -0.00 -0.45 0.62 0.07 -0.87 0.00 0.00 176.83 176.21 2awt h LYS 42 N -0.49 0.00 0.21 4.77 2.10 -1.77 0.13 116.57 121.52 2awt h LYS 42 Ca 0.05 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.69 2awt h LYS 42 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 2awt h LYS 42 CO -0.52 0.00 -0.10 1.25 -2.00 0.00 0.00 179.45 178.08 2awt h LEU 43 N 0.00 -0.24 -0.69 7.07 7.12 -0.48 -3.00 115.31 125.10 2awt h LEU 43 Ca 0.40 0.01 0.12 0.00 0.13 0.00 0.00 57.88 58.54 2awt h LEU 43 Cb 1.64 0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 41.74 2awt h LEU 43 CO -0.00 0.06 0.26 0.00 -0.13 0.00 0.00 178.44 178.62 2awt h MET 44 N -0.74 0.40 -0.18 1.25 -0.00 -0.39 -1.14 114.93 114.13 2awt h MET 44 Ca -0.03 -0.02 0.05 0.00 -0.00 0.00 0.00 59.70 59.70 2awt h MET 44 Cb 0.21 -0.09 -0.07 0.00 -0.00 0.00 0.00 31.60 31.66 2awt h MET 44 CO 0.05 0.27 -0.32 -0.22 -0.00 0.00 0.00 176.91 176.68 2awt h LYS 45 N 0.41 -0.35 -1.00 -0.10 3.64 -0.88 -1.26 116.57 117.03 2awt h LYS 45 Ca 0.37 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.78 2awt h LYS 45 Cb 0.52 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 2awt h LYS 45 CO -0.37 -0.23 0.66 0.00 -2.27 0.00 0.00 179.45 177.24 2awt h ALA 46 N 0.50 1.28 0.05 5.00 0.00 -1.23 -2.92 119.26 121.94 2awt h ALA 46 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2awt h ALA 46 Cb 0.54 -0.40 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2awt h ALA 46 CO -0.39 0.65 -0.52 -0.92 0.00 0.00 0.00 179.25 178.06 2awt h TYR 47 N 1.35 -1.53 -0.78 0.00 5.03 -0.08 -1.58 116.97 119.38 2awt h TYR 47 Ca 0.37 0.05 0.16 0.00 2.58 0.00 0.00 58.73 61.89 2awt h TYR 47 Cb -0.13 0.66 -0.10 0.00 1.55 0.00 0.00 36.73 38.70 2awt h TYR 47 CO -0.00 -0.58 0.30 0.00 -1.32 0.00 0.00 178.16 176.56 2awt h GLU 49 N 0.41 0.33 0.17 0.00 4.57 -1.12 0.25 114.58 119.19 2awt h GLU 49 Ca 0.44 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.59 2awt h GLU 49 Cb 0.71 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2awt h GLU 49 CO -0.44 0.22 -0.08 -0.09 -1.18 0.00 0.00 179.01 177.43 2awt h ARG 50 N 0.34 -0.23 -2.47 1.92 1.12 -0.55 -3.43 114.38 111.09 2awt h ARG 50 Ca 0.41 0.02 -0.59 0.00 -1.11 0.00 0.00 59.98 58.70 2awt h ARG 50 Cb 0.66 0.05 -0.39 0.00 -0.01 0.00 0.00 29.97 30.28 2awt h ARG 50 CO -0.45 -0.15 -0.90 1.04 -3.11 0.00 0.00 179.97 176.40 2awt n GLN 51 N -3.86 0.63 -2.79 0.20 6.02 -0.18 -5.03 117.38 112.36 2awt n GLN 51 Ca -0.03 -3.48 -0.43 0.00 -0.01 0.00 0.00 57.00 53.04 2awt n GLN 51 Cb 0.09 -1.77 0.01 0.00 1.02 0.00 0.00 30.24 29.59 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 2.48 4.65 0.09 1.08 0.00 0.86 -4.56 105.19 109.80 2awt n GLY 52 Ca 0.27 -2.35 -0.03 0.00 0.00 0.00 0.00 46.02 43.91 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 7.09 0.00 -5.00 0.99 4.07 -1.94 -3.44 115.31 117.07 2awt h LEU 53 Ca 0.29 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 58.10 2awt h LEU 53 Cb 0.69 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 42.27 2awt h LEU 53 CO 1.39 0.71 -0.49 -0.94 -1.08 0.00 0.00 178.44 178.03 2awt s SER 54 N -5.89 -1.44 0.18 -0.43 1.04 -1.26 -5.00 113.70 100.90 2awt s SER 54 Ca -0.03 -1.72 0.08 0.00 0.48 0.00 0.00 55.95 54.75 2awt s SER 54 Cb 0.08 1.89 -0.00 0.00 0.10 0.00 0.00 66.02 68.09 2awt s SER 54 CO 0.81 -0.05 1.40 -0.03 0.98 0.00 0.00 173.24 176.36 2awt h MET 55 N 5.00 0.01 0.00 4.02 4.05 -1.93 -3.13 114.93 122.95 2awt h MET 55 Ca 0.06 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 2awt h MET 55 Cb 1.11 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.91 2awt h MET 55 CO 0.01 0.86 -0.11 0.07 0.23 0.00 0.00 176.91 177.98 2awt h ARG 56 N 0.00 0.00 0.00 0.39 0.11 -1.99 -1.88 114.38 111.01 2awt h ARG 56 Ca -0.01 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 2awt h ARG 56 Cb 1.52 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.59 2awt h ARG 56 CO 0.11 0.11 -0.70 1.96 0.10 0.00 0.00 179.97 181.55 2awt h GLN 57 N 0.00 0.00 -6.42 0.08 7.50 -1.86 -3.46 115.11 110.95 2awt h GLN 57 Ca -0.00 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.62 2awt h GLN 57 Cb 0.36 0.00 0.03 0.00 0.05 0.00 0.00 27.48 27.92 2awt h GLN 57 CO 0.01 0.08 1.19 -0.89 -1.50 0.00 0.00 178.83 177.72 2awt n ILE 58 N -2.88 0.62 -3.46 2.54 2.08 -0.71 -4.32 119.36 113.23 2awt n ILE 58 Ca 0.00 -0.11 -0.01 0.00 0.56 0.00 0.00 62.75 63.19 2awt n ILE 58 Cb 0.59 -2.26 -0.04 0.00 -0.75 0.00 0.00 39.64 37.19 2awt n ILE 58 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2awt s ARG 59 N 3.79 0.52 0.15 0.38 0.52 -1.21 -4.96 118.95 118.15 2awt s ARG 59 Ca 0.86 1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 56.95 2awt s ARG 59 Cb -0.45 0.59 -0.08 0.00 0.52 0.00 0.00 34.95 35.54 2awt s ARG 59 CO 0.40 -0.38 1.27 -0.06 0.02 0.00 0.00 175.30 176.55 2awt s PHE 60 N 2.82 3.34 -0.12 -0.53 0.08 -1.26 -1.17 117.98 121.14 2awt s PHE 60 Ca 0.05 1.24 -0.06 0.00 0.12 0.00 0.00 56.93 58.27 2awt s PHE 60 Cb -0.13 -3.54 0.05 0.00 -0.57 0.00 0.00 43.02 38.83 2awt s PHE 60 CO -0.19 -1.68 0.28 0.50 -0.10 0.00 0.00 175.22 174.03 2awt s ARG 61 N 0.34 0.25 0.19 0.44 3.00 0.17 -3.63 118.95 119.71 2awt s ARG 61 Ca 0.58 0.56 0.07 0.00 -1.00 0.00 0.00 55.73 55.94 2awt s ARG 61 Cb -0.34 -0.07 -0.04 0.00 0.00 0.00 0.00 34.95 34.50 2awt s ARG 61 CO 0.34 -0.15 0.04 0.12 0.00 0.00 0.00 175.30 175.65 2awt s PHE 62 N 1.16 2.90 -1.19 5.12 5.36 -1.19 -0.07 117.98 130.07 2awt s PHE 62 Ca -0.08 -0.13 -0.08 0.00 -0.96 0.00 0.00 56.93 55.68 2awt s PHE 62 Cb -0.09 -1.37 -0.09 0.00 -0.34 0.00 0.00 43.02 41.13 2awt s PHE 62 CO -0.08 0.53 2.66 -3.47 -1.46 0.00 0.00 175.22 173.40 2awt n ASP 63 N -0.38 6.88 0.00 6.13 2.03 -1.26 -3.04 116.55 126.91 2awt n ASP 63 Ca -0.09 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 52.77 2awt n ASP 63 Cb 0.56 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 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 3.54 0.04 3.53 0.27 0.00 -1.26 -5.16 105.19 106.15 2awt n GLY 64 Ca 0.61 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.54 2awt n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2awt s GLN 65 N -0.58 0.81 0.92 1.61 -0.21 -1.17 -5.17 119.66 115.87 2awt s GLN 65 Ca 0.00 -0.32 -0.12 0.00 0.02 0.00 0.00 55.36 54.95 2awt s GLN 65 Cb 0.00 0.36 0.14 0.00 1.00 0.00 0.00 33.01 34.51 2awt s GLN 65 CO 0.00 -0.36 1.09 -1.25 -2.12 0.00 0.00 175.29 172.65 2awt s PRO 66 N -3.08 1.08 -0.04 2.91 0.04 -1.26 -3.16 135.00 131.49 2awt s PRO 66 Ca 0.06 0.76 -0.02 0.00 0.04 0.00 0.00 61.00 61.84 2awt s PRO 66 Cb -0.01 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.77 2awt s PRO 66 CO -0.08 -2.35 0.10 0.42 0.04 0.00 0.00 177.00 175.13 2awt s ILE 67 N -2.94 -0.04 0.30 0.56 1.01 -1.24 -4.86 121.20 113.99 2awt s ILE 67 Ca 0.64 0.14 0.04 0.00 0.00 0.00 0.00 60.65 61.47 2awt s ILE 67 Cb -0.18 -0.17 0.04 0.00 0.01 0.00 0.00 42.46 42.16 2awt s ILE 67 CO 0.57 0.06 0.29 0.59 0.00 0.00 0.00 174.94 176.45 2awt n ASN 68 N 3.90 1.66 0.14 3.58 3.02 -1.26 -4.55 115.26 121.74 2awt n ASN 68 Ca -0.23 -1.95 0.03 0.00 -0.03 0.00 0.00 54.58 52.40 2awt n ASN 68 Cb 0.53 -0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.04 3.52 4.11 -2.02 -3.28 114.58 116.96 2awt h GLU 69 Ca -0.17 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.02 2awt h GLU 69 Cb 0.68 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2awt h GLU 69 CO 0.26 0.42 -1.13 0.00 0.07 0.00 0.00 179.01 178.63 2awt h THR 70 N 0.00 1.58 -4.26 -1.06 1.03 -2.02 -3.40 112.91 104.79 2awt h THR 70 Ca -0.02 -3.26 -0.51 0.00 -0.01 0.00 0.00 66.41 62.61 2awt h THR 70 Cb 1.36 2.84 0.14 0.00 -1.07 0.00 0.00 68.15 71.42 2awt h THR 70 CO 0.06 0.92 0.30 -1.81 -0.01 0.00 0.00 175.52 174.97 2awt s ASP 71 N -6.79 4.20 0.14 0.00 1.01 -1.24 -4.99 116.67 109.00 2awt s ASP 71 Ca -0.01 1.77 0.05 0.00 0.71 0.00 0.00 52.55 55.07 2awt s ASP 71 Cb 0.09 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 2awt s ASP 71 CO 0.84 -2.22 -0.10 0.42 0.21 0.00 0.00 175.17 174.31 2awt s THR 72 N -2.89 1.17 -0.74 -1.27 -4.23 -1.26 -4.73 115.64 101.69 2awt s THR 72 Ca 0.62 -2.02 0.19 0.00 -1.18 0.00 0.00 61.69 59.29 2awt s THR 72 Cb -0.18 -1.81 0.18 0.00 1.34 0.00 0.00 72.50 72.04 2awt s THR 72 CO 0.56 -0.72 1.58 -0.81 -0.54 0.00 0.00 174.62 174.69 2awt n PRO 73 N -0.12 0.10 0.09 3.99 -0.04 -1.26 -2.38 135.00 135.37 2awt n PRO 73 Ca -0.11 0.34 -0.02 0.00 -0.04 0.00 0.00 63.50 63.67 2awt n PRO 73 Cb 0.60 -1.69 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 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 2.37 0.56 -0.51 0.55 0.00 -1.89 -2.98 119.26 117.36 2awt h ALA 74 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2awt h ALA 74 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2awt h ALA 74 CO 0.00 0.96 0.00 0.94 0.00 0.00 0.00 179.25 181.15 2awt n GLN 75 N -3.22 3.34 0.00 0.00 -0.06 -1.00 -3.85 117.38 112.59 2awt n GLN 75 Ca -0.02 -2.31 0.00 0.00 -2.00 0.00 0.00 57.00 52.67 2awt n GLN 75 Cb 0.85 -1.83 0.00 0.00 -4.06 0.00 0.00 30.24 25.20 2awt n GLN 75 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2awt n LEU 76 N 0.79 0.63 -3.96 1.69 4.32 -1.22 -4.97 117.00 114.28 2awt n LEU 76 Ca 0.21 -0.63 -0.29 0.00 -0.02 0.00 0.00 56.01 55.27 2awt n LEU 76 Cb 0.78 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.59 2awt n LEU 76 CO 0.20 0.16 -0.00 -0.62 -1.22 0.00 0.00 177.39 175.91 2awt n GLU 77 N -0.06 -4.58 -3.73 3.23 1.02 -1.21 -4.93 120.64 110.38 2awt n GLU 77 Ca 0.00 0.52 -0.36 0.00 -0.02 0.00 0.00 57.16 57.30 2awt n GLU 77 Cb 0.19 -5.21 -0.10 0.00 -0.02 0.00 0.00 31.44 26.30 2awt n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2awt s MET 78 N -6.58 2.47 0.00 3.49 0.23 -1.13 -5.04 119.30 112.75 2awt s MET 78 Ca 0.48 -2.42 0.00 0.00 -1.03 0.00 0.00 55.69 52.72 2awt s MET 78 Cb -0.25 -3.71 0.00 0.00 -1.53 0.00 0.00 34.83 29.35 2awt s MET 78 CO 0.86 -1.16 0.00 0.39 -2.03 0.00 0.00 175.02 173.08 2awt n GLU 79 N 3.66 0.00 -3.15 3.16 1.02 -1.26 -4.80 120.64 119.27 2awt n GLU 79 Ca 0.06 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.06 2awt n GLU 79 Cb 0.38 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.87 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 -1.34 -2.60 -2.79 1.62 2.03 -1.26 -3.47 116.55 108.74 2awt n ASP 80 Ca 0.00 -0.47 -0.12 0.00 0.52 0.00 0.00 54.79 54.72 2awt n ASP 80 Cb 0.00 -4.08 0.06 0.00 -0.72 0.00 0.00 41.12 36.38 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 -3.53 -3.87 -3.31 -0.67 1.02 -1.19 -5.00 120.64 104.09 2awt n GLU 81 Ca -0.19 0.63 -0.38 0.00 -0.02 0.00 0.00 57.16 57.20 2awt n GLU 81 Cb 0.62 -4.89 -0.06 0.00 -0.02 0.00 0.00 31.44 27.08 2awt n GLU 81 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2awt s ASP 82 N -3.78 6.78 -0.42 1.62 1.11 -1.18 -4.87 116.67 115.94 2awt s ASP 82 Ca 0.11 0.93 -0.15 0.00 0.18 0.00 0.00 52.55 53.62 2awt s ASP 82 Cb -0.01 -2.30 0.03 0.00 1.07 0.00 0.00 42.92 41.70 2awt s ASP 82 CO 0.54 0.08 0.31 -0.89 1.18 0.00 0.00 175.17 176.39 2awt s THR 83 N 0.15 5.24 -0.39 -1.27 2.01 -1.26 -0.71 115.64 119.41 2awt s THR 83 Ca 0.27 -0.71 -0.21 0.00 0.31 0.00 0.00 61.69 61.34 2awt s THR 83 Cb -0.16 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.42 2awt s THR 83 CO 0.13 -0.34 0.69 -0.63 -0.69 0.00 0.00 174.62 173.78 2awt s ILE 84 N 1.67 4.80 -0.44 1.82 1.09 -0.39 -4.92 121.20 124.84 2awt s ILE 84 Ca 0.05 0.52 -0.30 0.00 -1.10 0.00 0.00 60.65 59.82 2awt s ILE 84 Cb -0.20 -4.17 -0.09 0.00 -1.06 0.00 0.00 42.46 36.94 2awt s ILE 84 CO 0.10 -0.47 2.34 0.47 -0.10 0.00 0.00 174.94 177.28 2awt n ASP 85 N 6.28 2.26 -4.52 3.58 8.00 0.89 -3.63 116.55 129.42 2awt n ASP 85 Ca 0.00 -0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 2awt n ASP 85 Cb 0.48 -1.41 -0.12 0.00 -0.02 0.00 0.00 41.12 40.05 2awt n ASP 85 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2awt s VAL 86 N 9.55 4.56 0.01 2.53 1.01 0.41 -0.66 120.40 137.81 2awt s VAL 86 Ca 1.06 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.65 2awt s VAL 86 Cb -0.53 -3.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 2awt s VAL 86 CO 0.37 0.36 1.87 0.12 0.00 0.00 0.00 175.10 177.82 2awt s PHE 87 N 1.28 1.51 0.04 5.22 2.19 -0.31 -3.40 117.98 124.50 2awt s PHE 87 Ca 0.05 -0.25 -0.07 0.00 0.33 0.00 0.00 56.93 56.99 2awt s PHE 87 Cb -0.15 -4.14 -0.01 0.00 -1.31 0.00 0.00 43.02 37.42 2awt s PHE 87 CO 0.04 -5.02 0.13 -1.14 1.83 0.00 0.00 175.22 171.06 2awt s GLN 88 N 4.30 0.63 -0.51 10.12 0.74 -1.26 -3.30 119.66 130.39 2awt s GLN 88 Ca 0.84 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 55.56 2awt s GLN 88 Cb -0.40 0.25 0.43 0.00 1.10 0.00 0.00 33.01 34.39 2awt s GLN 88 CO 0.38 -0.17 1.49 0.94 -0.55 0.00 0.00 175.29 177.38 2awt n GLN 89 N 0.72 3.22 -4.05 1.67 -0.06 -1.26 -4.58 117.38 113.04 2awt n GLN 89 Ca -0.19 -3.98 -0.24 0.00 -2.00 0.00 0.00 57.00 50.59 2awt n GLN 89 Cb 0.59 -2.27 -0.04 0.00 -4.06 0.00 0.00 30.24 24.45 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 -3.71 3.09 -0.41 3.69 0.74 -1.26 -5.04 119.66 116.75 2awt s GLN 90 Ca 0.53 -0.85 0.02 0.00 0.05 0.00 0.00 55.36 55.11 2awt s GLN 90 Cb 0.43 -2.72 0.12 0.00 1.10 0.00 0.00 33.01 31.94 2awt s GLN 90 CO -0.12 0.46 0.18 0.99 -0.55 0.00 0.00 175.29 176.25 2awt s THR 91 N -1.88 1.67 0.00 -0.34 2.01 -1.26 -3.22 115.64 112.61 2awt s THR 91 Ca 0.33 -2.43 0.00 0.00 0.31 0.00 0.00 61.69 59.89 2awt s THR 91 Cb -0.09 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.22 2awt s THR 91 CO 0.26 -0.78 0.00 0.61 -0.69 0.00 0.00 174.62 174.01 2awt n GLY 92 N 3.84 0.19 0.04 4.40 0.00 -1.20 -5.07 105.19 107.38 2awt n GLY 92 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 3.96 -1.73 3.76 -0.02 0.00 -1.26 -5.12 105.19 104.78 2awt n GLY 93 Ca 0.00 0.50 -0.40 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.02 4.49 -1.27 1.61 -7.23 -1.26 -4.95 120.40 111.77 2awt s VAL 94 Ca 0.00 1.73 0.10 0.00 -1.81 0.00 0.00 61.98 62.01 2awt s VAL 94 Cb 0.00 -4.16 0.08 0.00 0.56 0.00 0.00 36.38 32.86 2awt s VAL 94 CO 0.00 0.45 0.82 0.00 -0.31 0.00 0.00 175.10 176.06