#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 -1.19 -2.72 -5.12 0.00 -1.26 -4.96 120.51 105.27 2awt n ALA 2 Ca 0.00 0.18 -0.35 0.00 0.00 0.00 0.00 53.44 53.26 2awt n ALA 2 Cb 0.00 -3.99 -0.09 0.00 0.00 0.00 0.00 19.45 15.38 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 -3.08 5.43 -0.19 0.00 1.11 -1.26 -5.10 116.67 113.58 2awt s ASP 3 Ca 0.56 0.19 -0.08 0.00 0.18 0.00 0.00 52.55 53.40 2awt s ASP 3 Cb -0.28 -1.59 -0.04 0.00 1.07 0.00 0.00 42.92 42.08 2awt s ASP 3 CO 0.69 0.37 0.08 -1.61 1.18 0.00 0.00 175.17 175.88 2awt s GLU 4 N -0.85 4.00 -0.50 8.23 8.01 -1.26 -5.02 118.70 131.31 2awt s GLU 4 Ca 0.13 -0.33 0.06 0.00 0.01 0.00 0.00 54.97 54.85 2awt s GLU 4 Cb -0.11 -3.26 0.22 0.00 -4.31 0.00 0.00 34.13 26.66 2awt s GLU 4 CO 0.03 0.25 0.82 0.36 0.01 0.00 0.00 175.26 176.73 2awt n LYS 5 N 3.61 0.69 -2.21 1.61 2.85 -1.26 -5.14 118.16 118.31 2awt n LYS 5 Ca -0.16 -1.87 -0.42 0.00 -1.05 0.00 0.00 58.31 54.80 2awt n LYS 5 Cb 0.52 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 33.40 2awt n LYS 5 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2awt s PRO 6 N 0.74 4.34 -0.37 -1.58 0.04 -1.26 -4.96 135.00 131.95 2awt s PRO 6 Ca 0.31 2.03 0.14 0.00 0.04 0.00 0.00 61.00 63.52 2awt s PRO 6 Cb 0.14 -3.26 0.43 0.00 0.04 0.00 0.00 34.50 31.85 2awt s PRO 6 CO -0.17 -0.40 0.94 0.36 0.04 0.00 0.00 177.00 177.77 2awt n LYS 7 N 3.87 1.66 -4.36 4.56 2.85 -1.26 -5.09 118.16 120.38 2awt n LYS 7 Ca 0.11 -3.60 -0.18 0.00 -1.05 0.00 0.00 58.31 53.59 2awt n LYS 7 Cb 0.43 -1.57 -0.10 0.00 -0.65 0.00 0.00 35.03 33.14 2awt n LYS 7 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2awt s GLU 8 N -3.10 1.48 0.00 -1.58 0.41 -1.26 -5.17 118.70 109.48 2awt s GLU 8 Ca 0.34 -1.80 0.00 0.00 -0.41 0.00 0.00 54.97 53.10 2awt s GLU 8 Cb 0.42 -0.52 0.00 0.00 -1.78 0.00 0.00 34.13 32.25 2awt s GLU 8 CO -0.03 -0.23 0.00 0.41 -0.49 0.00 0.00 175.26 174.91 2awt n GLY 9 N -0.54 5.37 3.06 -1.39 0.00 -1.26 -5.17 105.19 105.27 2awt n GLY 9 Ca -0.01 -1.33 -0.21 0.00 0.00 0.00 0.00 46.02 44.47 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 0.02 0.92 0.19 1.61 1.01 -1.26 -5.15 120.40 117.74 2awt s VAL 10 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2awt s VAL 10 Cb 0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 2awt s VAL 10 CO 0.00 0.26 -0.01 -0.54 0.00 0.00 0.00 175.10 174.82 2awt s LYS 11 N -0.19 1.19 -0.08 2.72 3.01 -1.26 -5.16 119.74 119.97 2awt s LYS 11 Ca 0.03 -1.58 -0.04 0.00 -1.01 0.00 0.00 55.97 53.37 2awt s LYS 11 Cb -0.05 -0.42 0.04 0.00 -1.01 0.00 0.00 37.83 36.38 2awt s LYS 11 CO -0.00 -0.10 0.18 0.95 0.51 0.00 0.00 175.35 176.89 2awt s THR 12 N -3.54 -0.04 0.14 2.17 -4.23 -1.26 -5.16 115.64 103.72 2awt s THR 12 Ca 0.25 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.88 2awt s THR 12 Cb 0.06 -0.28 0.01 0.00 1.34 0.00 0.00 72.50 73.62 2awt s THR 12 CO 0.05 0.06 0.21 -0.62 -0.54 0.00 0.00 174.62 173.79 2awt n GLU 13 N 4.04 0.31 0.00 3.99 1.02 -1.26 -5.11 120.64 123.62 2awt n GLU 13 Ca -0.24 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 2awt n GLU 13 Cb 0.53 1.02 0.00 0.00 -0.02 0.00 0.00 31.44 32.98 2awt n GLU 13 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2awt n ASN 14 N -1.74 0.00 -3.61 1.62 4.13 -1.26 -4.96 115.26 109.43 2awt n ASN 14 Ca -0.01 0.38 -0.17 0.00 1.68 0.00 0.00 54.58 56.46 2awt n ASN 14 Cb 0.22 -0.29 0.10 0.00 -1.54 0.00 0.00 39.78 38.27 2awt n ASN 14 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2awt n ASN 15 N -1.36 0.70 -4.82 6.41 4.13 -1.26 -5.08 115.26 113.98 2awt n ASN 15 Ca 0.00 -1.66 -0.31 0.00 1.68 0.00 0.00 54.58 54.29 2awt n ASN 15 Cb 0.00 -0.50 0.04 0.00 -1.54 0.00 0.00 39.78 37.78 2awt n ASN 15 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2awt s ASP 16 N -3.90 5.47 -0.31 6.41 1.01 -1.26 -5.06 116.67 119.03 2awt s ASP 16 Ca 0.47 1.65 0.05 0.00 0.71 0.00 0.00 52.55 55.43 2awt s ASP 16 Cb -0.02 -2.50 0.19 0.00 1.01 0.00 0.00 42.92 41.59 2awt s ASP 16 CO 0.31 -1.38 0.54 -1.38 0.21 0.00 0.00 175.17 173.48 2awt s HIS 17 N -2.94 -1.60 0.30 4.23 -3.43 -1.26 -3.68 115.29 106.91 2awt s HIS 17 Ca 0.59 0.74 0.05 0.00 -0.80 0.00 0.00 55.06 55.63 2awt s HIS 17 Cb -0.14 0.18 0.05 0.00 -1.43 0.00 0.00 32.58 31.24 2awt s HIS 17 CO 0.52 -1.07 0.41 0.44 -2.00 0.00 0.00 174.74 173.04 2awt n ILE 18 N 5.24 0.00 -4.03 -5.38 -5.35 0.12 -4.93 119.36 105.03 2awt n ILE 18 Ca 0.05 -0.97 -0.15 0.00 -0.27 0.00 0.00 62.75 61.41 2awt n ILE 18 Cb 0.53 -0.78 -0.15 0.00 -1.74 0.00 0.00 39.64 37.51 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 -2.84 0.41 0.02 7.28 2.47 -1.26 -3.31 114.94 117.71 2awt s ASN 19 Ca 0.31 -0.06 -0.05 0.00 0.42 0.00 0.00 52.86 53.49 2awt s ASN 19 Cb -0.02 -0.09 -0.01 0.00 -1.45 0.00 0.00 41.25 39.68 2awt s ASN 19 CO 0.20 0.01 0.08 -0.76 -3.72 0.00 0.00 177.10 172.91 2awt s LEU 20 N 0.15 1.81 -0.24 3.21 1.02 -1.11 -2.13 118.68 121.39 2awt s LEU 20 Ca -0.01 -0.40 -0.03 0.00 0.02 0.00 0.00 54.13 53.71 2awt s LEU 20 Cb -0.04 0.51 0.13 0.00 0.02 0.00 0.00 46.19 46.81 2awt s LEU 20 CO -0.00 -0.41 0.36 -1.59 0.02 0.00 0.00 176.35 174.73 2awt s LYS 21 N -1.87 0.33 -0.34 1.70 -2.85 0.41 -0.64 119.74 116.48 2awt s LYS 21 Ca -0.11 0.47 -0.20 0.00 -1.00 0.00 0.00 55.97 55.13 2awt s LYS 21 Cb -0.06 -0.55 -0.00 0.00 -2.06 0.00 0.00 37.83 35.16 2awt s LYS 21 CO -0.01 -0.67 0.60 0.14 0.10 0.00 0.00 175.35 175.51 2awt s VAL 22 N 2.52 4.94 -0.09 1.79 -7.23 0.62 -0.73 120.40 122.21 2awt s VAL 22 Ca 0.12 0.63 0.01 0.00 -1.81 0.00 0.00 61.98 60.92 2awt s VAL 22 Cb -0.15 -4.02 0.02 0.00 0.56 0.00 0.00 36.38 32.79 2awt s VAL 22 CO -0.16 -0.23 -0.09 0.00 -0.31 0.00 0.00 175.10 174.31 2awt s ALA 23 N 2.60 1.25 0.28 1.32 0.00 0.12 -0.02 121.76 127.30 2awt s ALA 23 Ca 0.23 -0.46 -0.28 0.00 0.00 0.00 0.00 51.96 51.45 2awt s ALA 23 Cb -0.15 -0.75 -0.09 0.00 0.00 0.00 0.00 23.12 22.13 2awt s ALA 23 CO 0.13 -0.20 0.95 0.20 0.00 0.00 0.00 175.76 176.85 2awt s GLY 24 N 1.28 2.99 0.66 0.00 0.00 -0.19 -3.15 107.32 108.92 2awt s GLY 24 Ca -0.03 0.60 0.42 0.00 0.00 0.00 0.00 44.72 45.71 2awt s GLY 24 CO -0.03 1.13 2.28 -1.61 0.00 0.00 0.00 173.10 174.87 2awt h GLN 25 N 3.74 0.00 0.00 2.90 5.75 -1.82 -3.12 115.11 122.56 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 -3.02 0.00 -2.69 -0.69 9.92 -1.26 -4.93 116.55 113.87 2awt n ASP 26 Ca -0.03 0.33 -0.06 0.00 -0.53 0.00 0.00 54.79 54.50 2awt n ASP 26 Cb 0.12 -0.30 0.08 0.00 -0.64 0.00 0.00 41.12 40.37 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 2.06 0.42 3.24 0.44 0.00 -1.20 -4.61 105.19 105.55 2awt n GLY 27 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 2.03 -0.30 1.61 0.01 -1.18 -4.09 113.70 110.94 2awt s SER 28 Ca 0.16 -0.77 -0.16 0.00 1.31 0.00 0.00 55.95 56.49 2awt s SER 28 Cb 0.28 -0.08 0.18 0.00 0.21 0.00 0.00 66.02 66.61 2awt s SER 28 CO -0.07 -0.11 1.10 0.54 0.41 0.00 0.00 173.24 175.10 2awt s VAL 29 N -1.92 -0.34 -0.11 3.43 0.11 -1.24 -1.02 120.40 119.31 2awt s VAL 29 Ca 0.07 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.08 2awt s VAL 29 Cb -0.06 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.84 2awt s VAL 29 CO 0.03 0.00 0.22 -0.69 -3.33 0.00 0.00 175.10 171.34 2awt s VAL 30 N 2.36 -0.25 0.14 2.04 1.01 0.97 -4.95 120.40 121.72 2awt s VAL 30 Ca -0.01 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.25 2awt s VAL 30 Cb -0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 2awt s VAL 30 CO -0.16 0.11 0.22 0.00 0.00 0.00 0.00 175.10 175.26 2awt s GLN 31 N 1.99 3.25 0.24 2.72 0.00 -1.26 -0.28 119.66 126.32 2awt s GLN 31 Ca -0.02 -0.66 -0.12 0.00 -0.00 0.00 0.00 55.36 54.56 2awt s GLN 31 Cb -0.12 -2.87 -0.01 0.00 0.00 0.00 0.00 33.01 30.02 2awt s GLN 31 CO -0.08 0.53 0.45 -0.06 0.00 0.00 0.00 175.29 176.13 2awt s PHE 32 N -1.69 0.39 -0.10 9.60 0.40 0.19 -4.97 117.98 121.79 2awt s PHE 32 Ca 0.33 -0.74 -0.04 0.00 -0.60 0.00 0.00 56.93 55.88 2awt s PHE 32 Cb -0.11 0.15 0.05 0.00 0.51 0.00 0.00 43.02 43.62 2awt s PHE 32 CO 0.27 -0.96 0.21 0.15 0.70 0.00 0.00 175.22 175.59 2awt s LYS 33 N -4.02 0.12 0.27 0.44 -0.14 -1.26 -2.76 119.74 112.39 2awt s LYS 33 Ca 0.22 0.59 -0.21 0.00 -1.36 0.00 0.00 55.97 55.21 2awt s LYS 33 Cb -0.00 -0.14 0.03 0.00 -1.68 0.00 0.00 37.83 36.03 2awt s LYS 33 CO 0.08 -0.24 0.72 -1.50 -0.76 0.00 0.00 175.35 173.65 2awt s ILE 34 N 1.89 0.00 0.55 2.17 2.07 -1.21 -5.00 121.20 121.67 2awt s ILE 34 Ca -0.03 -0.92 -0.09 0.00 -1.41 0.00 0.00 60.65 58.20 2awt s ILE 34 Cb -0.12 -1.93 0.14 0.00 0.13 0.00 0.00 42.46 40.68 2awt s ILE 34 CO -0.07 0.00 0.35 2.29 -1.91 0.00 0.00 174.94 175.60 2awt n LYS 35 N -0.45 -2.86 0.00 3.50 2.85 -1.24 0.15 118.16 120.11 2awt n LYS 35 Ca -0.05 -0.59 0.11 0.00 -1.05 0.00 0.00 58.31 56.74 2awt n LYS 35 Cb 0.59 -0.71 0.08 0.00 -0.65 0.00 0.00 35.03 34.34 2awt n LYS 35 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2awt n ARG 36 N -3.33 0.81 -1.54 -1.58 1.85 -1.26 -4.23 116.66 107.37 2awt n ARG 36 Ca 0.05 -0.63 -0.31 0.00 -1.00 0.00 0.00 57.85 55.97 2awt n ARG 36 Cb 0.23 -1.49 0.06 0.00 -1.05 0.00 0.00 32.46 30.22 2awt n ARG 36 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2awt n HIS 37 N -0.55 3.03 -4.61 2.89 -0.00 -1.26 -2.10 115.22 112.62 2awt n HIS 37 Ca 0.09 -2.72 -0.33 0.00 0.46 0.00 0.00 57.72 55.22 2awt n HIS 37 Cb 0.41 -1.06 -0.13 0.00 -0.12 0.00 0.00 29.99 29.09 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 -4.69 3.50 -0.12 3.57 2.01 -1.26 -5.08 115.64 113.58 2awt s THR 38 Ca 0.60 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.79 2awt s THR 38 Cb 0.47 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 2awt s THR 38 CO 0.01 0.53 1.54 -2.16 -0.69 0.00 0.00 174.62 173.85 2awt s PRO 39 N 0.10 4.12 0.51 4.92 0.04 -1.26 -4.37 135.00 139.06 2awt s PRO 39 Ca -0.03 1.94 0.29 0.00 0.04 0.00 0.00 61.00 63.24 2awt s PRO 39 Cb -0.14 -3.94 1.41 0.00 0.04 0.00 0.00 34.50 31.87 2awt s PRO 39 CO 0.04 -0.89 1.86 -0.07 0.04 0.00 0.00 177.00 177.98 2awt h LEU 40 N 10.37 0.09 -0.54 -3.56 3.38 -1.80 -0.57 115.31 122.69 2awt h LEU 40 Ca -0.35 0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.74 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 0.97 0.03 0.01 0.77 0.09 0.00 0.00 178.44 180.31 2awt h SER 41 N 0.09 -0.21 -0.88 -0.43 4.64 -1.84 0.22 113.55 115.14 2awt h SER 41 Ca 0.47 0.13 0.25 0.00 -0.47 0.00 0.00 61.79 62.17 2awt h SER 41 Cb 1.70 0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 63.97 2awt h SER 41 CO -0.05 -0.07 0.66 0.07 -0.87 0.00 0.00 176.83 176.57 2awt h LYS 42 N 0.13 0.00 -0.03 4.77 5.09 -1.41 0.25 116.57 125.37 2awt h LYS 42 Ca 0.28 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.90 2awt h LYS 42 Cb 0.42 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.76 2awt h LYS 42 CO -0.44 0.00 -0.43 1.25 -2.09 0.00 0.00 179.45 177.74 2awt h LEU 43 N 0.00 0.43 0.11 7.07 5.85 -0.68 -2.81 115.31 125.26 2awt h LEU 43 Ca 0.42 -0.72 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 2awt h LEU 43 Cb 1.74 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.64 2awt h LEU 43 CO -0.00 1.08 -0.05 -0.03 -0.34 0.00 0.00 178.44 179.10 2awt h MET 44 N -0.20 -0.14 -0.47 1.25 4.05 -0.55 -2.16 114.93 116.72 2awt h MET 44 Ca -0.04 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.48 2awt h MET 44 Cb 1.12 0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 31.86 2awt h MET 44 CO 0.09 0.25 -0.12 -0.22 0.23 0.00 0.00 176.91 177.13 2awt h LYS 45 N -0.55 -0.01 -0.59 0.39 3.64 -0.75 -1.02 116.57 117.68 2awt h LYS 45 Ca -0.01 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2awt h LYS 45 Cb 0.45 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 2awt h LYS 45 CO 0.02 -0.00 0.39 0.00 -2.27 0.00 0.00 179.45 177.59 2awt h ALA 46 N 1.46 0.75 -0.23 5.00 0.00 -1.52 -2.92 119.26 121.79 2awt h ALA 46 Ca 0.23 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2awt h ALA 46 Cb 0.35 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 2awt h ALA 46 CO -0.49 0.18 -0.31 -0.92 0.00 0.00 0.00 179.25 177.71 2awt h TYR 47 N 0.80 -0.85 -0.52 0.00 5.03 -0.52 -1.68 116.97 119.23 2awt h TYR 47 Ca 0.22 0.04 0.11 0.00 2.58 0.00 0.00 58.73 61.68 2awt h TYR 47 Cb -0.09 0.41 -0.09 0.00 1.55 0.00 0.00 36.73 38.50 2awt h TYR 47 CO -0.03 -0.38 -0.04 0.00 -1.32 0.00 0.00 178.16 176.38 2awt h GLU 49 N 0.07 0.31 0.05 0.00 4.81 -1.14 0.28 114.58 118.96 2awt h GLU 49 Ca 0.26 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2awt h GLU 49 Cb 0.41 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2awt h GLU 49 CO -0.48 0.20 -0.02 -0.09 -0.73 0.00 0.00 179.01 177.89 2awt h ARG 50 N 0.32 -0.07 -2.29 1.92 1.12 -0.38 -3.43 114.38 111.58 2awt h ARG 50 Ca 0.52 0.00 -0.58 0.00 -1.11 0.00 0.00 59.98 58.81 2awt h ARG 50 Cb 1.46 0.01 -0.39 0.00 -0.01 0.00 0.00 29.97 31.04 2awt h ARG 50 CO -0.19 -0.04 -0.93 0.00 -3.11 0.00 0.00 179.97 175.70 2awt n GLN 51 N -3.46 0.87 -2.28 0.20 10.64 -0.43 -5.02 117.38 117.90 2awt n GLN 51 Ca -0.01 -3.53 -0.43 0.00 -1.83 0.00 0.00 57.00 51.20 2awt n GLN 51 Cb 0.03 -1.64 0.00 0.00 -0.86 0.00 0.00 30.24 27.77 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 1.94 4.54 0.10 2.61 0.00 0.94 -4.60 105.19 110.73 2awt n GLY 52 Ca 0.25 -1.98 0.03 0.00 0.00 0.00 0.00 46.02 44.32 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 8.51 0.00 -6.53 0.99 3.38 -1.95 -3.43 115.31 116.27 2awt h LEU 53 Ca 0.42 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.91 2awt h LEU 53 Cb 0.66 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.04 2awt h LEU 53 CO 1.64 0.43 -0.77 -0.55 0.09 0.00 0.00 178.44 179.28 2awt s SER 54 N -5.69 2.37 -0.04 -0.43 0.15 -1.26 -4.97 113.70 103.83 2awt s SER 54 Ca -0.02 -1.74 0.11 0.00 0.70 0.00 0.00 55.95 55.00 2awt s SER 54 Cb 0.09 -0.01 0.40 0.00 -1.71 0.00 0.00 66.02 64.78 2awt s SER 54 CO 0.80 -0.32 1.27 1.15 1.20 0.00 0.00 173.24 177.35 2awt n MET 55 N 4.39 2.35 0.00 5.44 0.00 -1.26 -3.13 117.12 124.91 2awt n MET 55 Ca 0.08 -1.58 0.00 0.00 0.00 0.00 0.00 57.70 56.20 2awt n MET 55 Cb 0.41 -1.51 0.00 0.00 0.00 0.00 0.00 33.22 32.12 2awt n MET 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2awt n ARG 56 N 0.60 0.55 0.00 3.17 5.12 -1.26 -4.83 116.66 120.01 2awt n ARG 56 Ca 0.14 -0.61 0.00 0.00 -1.93 0.00 0.00 57.85 55.45 2awt n ARG 56 Cb 0.49 -0.65 0.00 0.00 -1.16 0.00 0.00 32.46 31.14 2awt n ARG 56 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2awt n GLN 57 N -0.10 1.06 -2.08 5.56 7.27 -1.24 -5.02 117.38 122.83 2awt n GLN 57 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 2awt n GLN 57 Cb 0.36 -0.90 -0.03 0.00 2.41 0.00 0.00 30.24 32.08 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 -1.80 3.59 -0.13 1.69 1.01 -1.18 -4.70 121.20 119.68 2awt s ILE 58 Ca 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 60.65 61.44 2awt s ILE 58 Cb 0.00 -3.53 0.06 0.00 0.01 0.00 0.00 42.46 39.00 2awt s ILE 58 CO 0.00 -0.05 0.19 -0.13 0.00 0.00 0.00 174.94 174.95 2awt s ARG 59 N 3.46 0.10 -0.05 2.79 0.52 -1.26 -4.96 118.95 119.54 2awt s ARG 59 Ca 0.70 0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 56.07 2awt s ARG 59 Cb -0.33 -0.57 -0.04 0.00 0.52 0.00 0.00 34.95 34.54 2awt s ARG 59 CO 0.28 -0.42 1.25 -0.06 0.02 0.00 0.00 175.30 176.37 2awt s PHE 60 N 2.32 3.10 -0.09 -0.53 0.08 -1.26 -4.37 117.98 117.23 2awt s PHE 60 Ca 0.04 1.12 -0.07 0.00 0.12 0.00 0.00 56.93 58.14 2awt s PHE 60 Cb -0.13 -3.48 0.03 0.00 -0.57 0.00 0.00 43.02 38.87 2awt s PHE 60 CO -0.08 -1.58 0.23 -0.98 -0.10 0.00 0.00 175.22 172.70 2awt s ARG 61 N 2.29 0.23 0.44 0.44 1.70 -1.19 -3.59 118.95 119.28 2awt s ARG 61 Ca 0.58 0.39 0.05 0.00 -0.47 0.00 0.00 55.73 56.27 2awt s ARG 61 Cb -0.26 0.03 0.01 0.00 -0.57 0.00 0.00 34.95 34.16 2awt s ARG 61 CO 0.23 -0.08 0.62 0.12 -1.08 0.00 0.00 175.30 175.10 2awt s PHE 62 N 0.56 2.93 -1.25 5.89 5.36 -1.18 -2.72 117.98 127.56 2awt s PHE 62 Ca -0.04 -0.19 -0.08 0.00 -0.96 0.00 0.00 56.93 55.66 2awt s PHE 62 Cb -0.05 -2.40 -0.07 0.00 -0.34 0.00 0.00 43.02 40.16 2awt s PHE 62 CO -0.03 -0.46 2.51 -0.25 -1.46 0.00 0.00 175.22 175.53 2awt n ASP 63 N -1.97 6.73 0.00 6.13 8.00 -1.26 -3.00 116.55 131.18 2awt n ASP 63 Ca 0.06 -2.44 0.00 0.00 0.71 0.00 0.00 54.79 53.12 2awt n ASP 63 Cb 0.59 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 2awt n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2awt n GLY 64 N 3.68 0.05 3.65 0.44 0.00 -1.26 -5.16 105.19 106.59 2awt n GLY 64 Ca 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.65 0.03 1.08 1.61 -2.07 -1.16 -5.18 119.66 113.32 2awt s GLN 65 Ca 0.00 -0.00 -0.15 0.00 -1.82 0.00 0.00 55.36 53.39 2awt s GLN 65 Cb 0.00 0.01 0.23 0.00 -1.09 0.00 0.00 33.01 32.16 2awt s GLN 65 CO 0.00 -0.01 1.10 -1.25 -1.32 0.00 0.00 175.29 173.81 2awt s PRO 66 N -1.46 -0.21 -0.00 9.60 0.04 -1.26 -3.13 135.00 138.58 2awt s PRO 66 Ca 0.10 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.45 2awt s PRO 66 Cb -0.01 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 32.85 2awt s PRO 66 CO -0.06 -3.11 -0.02 0.42 0.04 0.00 0.00 177.00 174.27 2awt s ILE 67 N -2.98 0.13 -0.48 0.56 1.01 -1.24 -4.90 121.20 113.31 2awt s ILE 67 Ca 0.67 -0.06 -0.00 0.00 0.00 0.00 0.00 60.65 61.26 2awt s ILE 67 Cb -0.16 -0.12 0.42 0.00 0.01 0.00 0.00 42.46 42.61 2awt s ILE 67 CO 0.57 0.04 1.94 0.59 0.00 0.00 0.00 174.94 178.08 2awt n ASN 68 N 3.08 6.05 -3.81 3.58 3.02 -1.26 -4.80 115.26 121.12 2awt n ASN 68 Ca -0.13 -3.45 -0.28 0.00 -0.03 0.00 0.00 54.58 50.69 2awt n ASN 68 Cb 0.59 -0.93 -0.05 0.00 -0.61 0.00 0.00 39.78 38.78 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 -0.57 -1.79 0.00 3.52 0.28 -1.26 -4.63 120.64 116.19 2awt n GLU 69 Ca 0.50 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 57.65 2awt n GLU 69 Cb 0.90 -4.73 0.00 0.00 1.43 0.00 0.00 31.44 29.04 2awt n GLU 69 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2awt n THR 70 N -3.61 0.00 -1.94 3.84 5.66 -1.26 -2.65 114.28 114.32 2awt n THR 70 Ca 0.07 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.66 2awt n THR 70 Cb 0.48 -0.19 -0.01 0.00 -1.55 0.00 0.00 70.33 69.05 2awt n THR 70 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2awt s ASP 71 N -3.42 6.54 0.36 1.09 1.01 -1.26 -4.58 116.67 116.42 2awt s ASP 71 Ca 0.00 2.85 -0.04 0.00 0.71 0.00 0.00 52.55 56.07 2awt s ASP 71 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 2awt s ASP 71 CO 0.00 -0.74 0.63 0.42 0.21 0.00 0.00 175.17 175.69 2awt s THR 72 N -0.78 5.00 -1.16 -1.27 -4.23 -1.26 -4.12 115.64 107.81 2awt s THR 72 Ca 0.54 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 61.19 2awt s THR 72 Cb -0.44 -3.80 0.17 0.00 1.34 0.00 0.00 72.50 69.77 2awt s THR 72 CO 0.54 -0.53 1.43 -0.81 -0.54 0.00 0.00 174.62 174.71 2awt n PRO 73 N -1.51 0.08 0.05 3.99 -0.04 -1.25 -2.81 135.00 133.50 2awt n PRO 73 Ca -0.02 0.22 -0.20 0.00 -0.04 0.00 0.00 63.50 63.46 2awt n PRO 73 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 2awt n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2awt h ALA 74 N 2.56 -0.01 -0.59 0.55 0.00 -1.79 -2.92 119.26 117.06 2awt h ALA 74 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2awt h ALA 74 Cb 0.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2awt h ALA 74 CO 0.00 0.48 0.00 1.04 0.00 0.00 0.00 179.25 180.77 2awt n GLN 75 N -4.04 3.84 0.00 0.00 6.02 -1.13 -3.98 117.38 118.09 2awt n GLN 75 Ca -0.13 -2.73 0.00 0.00 -0.01 0.00 0.00 57.00 54.13 2awt n GLN 75 Cb 0.83 -1.95 0.00 0.00 1.02 0.00 0.00 30.24 30.14 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 0.92 0.15 -3.80 1.08 4.77 -1.13 -4.97 117.00 114.03 2awt n LEU 76 Ca 0.25 -0.52 -0.24 0.00 -0.03 0.00 0.00 56.01 55.47 2awt n LEU 76 Cb 0.92 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.02 2awt n LEU 76 CO 0.25 0.04 -0.14 -0.62 -1.33 0.00 0.00 177.39 175.58 2awt n GLU 77 N -0.73 -3.62 -3.48 3.23 1.02 -1.11 -4.93 120.64 111.01 2awt n GLU 77 Ca 0.00 0.51 -0.27 0.00 -0.02 0.00 0.00 57.16 57.38 2awt n GLU 77 Cb 0.00 -4.76 -0.09 0.00 -0.02 0.00 0.00 31.44 26.58 2awt n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2awt n MET 78 N -4.29 2.43 -1.60 3.49 0.00 -1.20 -5.05 117.12 110.89 2awt n MET 78 Ca -0.27 -4.64 0.00 0.00 0.00 0.00 0.00 57.70 52.79 2awt n MET 78 Cb 0.67 -2.25 0.00 0.00 0.00 0.00 0.00 33.22 31.64 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 0.99 1.15 -3.18 3.17 1.02 -1.26 -4.77 120.64 117.76 2awt n GLU 79 Ca 0.29 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.28 2awt n GLU 79 Cb 0.40 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.89 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 -1.64 -3.53 -2.51 1.62 2.03 -1.26 -4.23 116.55 107.03 2awt n ASP 80 Ca 0.00 -0.43 -0.03 0.00 0.52 0.00 0.00 54.79 54.85 2awt n ASP 80 Cb 0.00 -3.89 0.00 0.00 -0.72 0.00 0.00 41.12 36.51 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 -3.56 -2.41 -3.99 -0.67 1.02 -1.14 -4.97 120.64 104.92 2awt n GLU 81 Ca -0.11 2.10 -0.35 0.00 -0.02 0.00 0.00 57.16 58.78 2awt n GLU 81 Cb 0.59 -4.65 -0.09 0.00 -0.02 0.00 0.00 31.44 27.27 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 -1.73 5.73 -0.59 1.62 1.11 -0.91 -4.95 116.67 116.96 2awt s ASP 82 Ca 0.09 0.14 -0.17 0.00 0.18 0.00 0.00 52.55 52.78 2awt s ASP 82 Cb -0.02 -1.95 0.12 0.00 1.07 0.00 0.00 42.92 42.13 2awt s ASP 82 CO 0.62 0.21 0.63 -0.89 1.18 0.00 0.00 175.17 176.92 2awt s THR 83 N 0.16 5.01 0.14 -1.27 2.01 -1.26 -0.45 115.64 119.98 2awt s THR 83 Ca 0.05 -1.28 -0.18 0.00 0.31 0.00 0.00 61.69 60.59 2awt s THR 83 Cb -0.12 -4.43 -0.07 0.00 0.01 0.00 0.00 72.50 67.88 2awt s THR 83 CO 0.00 -1.02 0.62 -0.63 -0.69 0.00 0.00 174.62 172.90 2awt s ILE 84 N 2.13 4.70 -0.15 1.82 1.01 0.09 -4.82 121.20 125.97 2awt s ILE 84 Ca 0.09 1.16 -0.15 0.00 0.00 0.00 0.00 60.65 61.74 2awt s ILE 84 Cb -0.26 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2awt s ILE 84 CO 0.04 0.38 0.35 -1.81 0.00 0.00 0.00 174.94 173.90 2awt s ASP 85 N -1.42 6.51 0.27 3.58 1.11 -1.10 0.12 116.67 125.72 2awt s ASP 85 Ca 0.36 0.60 0.12 0.00 0.18 0.00 0.00 52.55 53.80 2awt s ASP 85 Cb -0.18 -2.22 -0.05 0.00 1.07 0.00 0.00 42.92 41.55 2awt s ASP 85 CO 0.20 0.06 -0.20 0.54 1.18 0.00 0.00 175.17 176.94 2awt s VAL 86 N 0.58 2.44 -0.31 -1.27 0.11 -1.19 -3.17 120.40 117.61 2awt s VAL 86 Ca 0.19 -2.35 0.02 0.00 -2.93 0.00 0.00 61.98 56.91 2awt s VAL 86 Cb -0.14 -2.27 0.08 0.00 -1.53 0.00 0.00 36.38 32.52 2awt s VAL 86 CO 0.06 -0.36 -0.01 0.12 -3.33 0.00 0.00 175.10 171.58 2awt s PHE 87 N -2.40 3.47 0.39 1.54 2.19 -1.26 -3.79 117.98 118.12 2awt s PHE 87 Ca 0.28 -2.49 -0.14 0.00 0.33 0.00 0.00 56.93 54.91 2awt s PHE 87 Cb -0.05 -2.41 0.06 0.00 -1.31 0.00 0.00 43.02 39.30 2awt s PHE 87 CO 0.14 -0.90 0.78 1.14 1.83 0.00 0.00 175.22 178.21 2awt s GLN 88 N 1.06 2.27 0.86 10.12 -2.07 -1.26 -3.24 119.66 127.40 2awt s GLN 88 Ca -0.00 -1.51 -0.15 0.00 -1.82 0.00 0.00 55.36 51.89 2awt s GLN 88 Cb -0.20 0.62 0.20 0.00 -1.09 0.00 0.00 33.01 32.54 2awt s GLN 88 CO -0.05 -1.06 1.00 1.04 -1.32 0.00 0.00 175.29 174.90 2awt n GLN 89 N -0.54 -1.66 -3.71 9.60 6.02 -1.26 -4.72 117.38 121.10 2awt n GLN 89 Ca -0.08 -1.57 -0.37 0.00 -0.01 0.00 0.00 57.00 54.97 2awt n GLN 89 Cb 0.60 -1.18 -0.11 0.00 1.02 0.00 0.00 30.24 30.57 2awt n GLN 89 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2awt s GLN 90 N -5.22 3.91 -0.01 -1.09 -0.21 -1.26 -4.66 119.66 111.12 2awt s GLN 90 Ca 0.60 -0.35 -0.03 0.00 0.02 0.00 0.00 55.36 55.59 2awt s GLN 90 Cb -0.03 -3.48 -0.02 0.00 1.00 0.00 0.00 33.01 30.48 2awt s GLN 90 CO 0.43 -0.06 -0.07 0.25 -2.12 0.00 0.00 175.29 173.73 2awt n THR 91 N 4.61 0.76 0.00 -0.19 -2.24 -1.26 -5.05 114.28 110.90 2awt n THR 91 Ca -0.15 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2awt n THR 91 Cb 0.52 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 2awt n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2awt n GLY 92 N 2.86 0.24 1.06 3.38 0.00 -1.26 -5.04 105.19 106.43 2awt n GLY 92 Ca -0.07 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 4.21 0.57 3.09 -0.02 0.00 -1.26 -5.11 105.19 106.67 2awt n GLY 93 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -0.18 -2.75 1.61 1.01 -1.26 -5.13 120.40 113.71 2awt s VAL 94 Ca 0.04 0.18 0.26 0.00 0.00 0.00 0.00 61.98 62.46 2awt s VAL 94 Cb 0.05 -0.45 0.37 0.00 0.00 0.00 0.00 36.38 36.35 2awt s VAL 94 CO -0.02 0.07 1.50 0.00 0.00 0.00 0.00 175.10 176.66