#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 -1.75 -2.81 3.04 0.00 -1.26 -4.97 120.51 112.77 2awt n ALA 2 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 2awt n ALA 2 Cb 0.00 -2.85 -0.10 0.00 0.00 0.00 0.00 19.45 16.50 2awt n ALA 2 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2awt s ASP 3 N -3.98 5.44 0.52 0.00 -4.77 -1.26 -5.11 116.67 107.51 2awt s ASP 3 Ca 0.25 0.10 0.02 0.00 -3.30 0.00 0.00 52.55 49.62 2awt s ASP 3 Cb -0.12 -1.79 -0.00 0.00 -1.09 0.00 0.00 42.92 39.91 2awt s ASP 3 CO 0.82 0.26 0.09 -1.83 0.70 0.00 0.00 175.17 175.21 2awt s GLU 4 N -0.15 2.21 -0.46 2.11 1.03 -1.26 -5.11 118.70 117.06 2awt s GLU 4 Ca 0.06 -2.31 0.04 0.00 0.03 0.00 0.00 54.97 52.79 2awt s GLU 4 Cb -0.12 -1.66 0.23 0.00 -0.80 0.00 0.00 34.13 31.78 2awt s GLU 4 CO 0.02 -0.41 0.93 0.36 -1.33 0.00 0.00 175.26 174.82 2awt n LYS 5 N -1.37 0.58 -2.11 -4.83 2.85 -1.26 -5.12 118.16 106.90 2awt n LYS 5 Ca -0.15 -1.57 -0.43 0.00 -1.05 0.00 0.00 58.31 55.11 2awt n LYS 5 Cb 0.66 -1.17 -0.03 0.00 -0.65 0.00 0.00 35.03 33.85 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 0.65 3.68 -0.16 -1.58 0.04 -1.26 -4.90 135.00 131.48 2awt s PRO 6 Ca 0.30 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 2awt s PRO 6 Cb 0.17 -4.07 -0.07 0.00 0.04 0.00 0.00 34.50 30.58 2awt s PRO 6 CO -0.17 -1.43 -0.11 1.63 0.04 0.00 0.00 177.00 176.95 2awt n LYS 7 N 7.85 0.48 -2.85 4.56 5.02 -1.26 -4.80 118.16 127.16 2awt n LYS 7 Ca 0.19 0.52 -0.43 0.00 -2.02 0.00 0.00 58.31 56.57 2awt n LYS 7 Cb 0.46 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 2awt n LYS 7 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2awt s GLU 8 N -2.30 3.39 0.00 1.97 2.12 -1.26 -4.71 118.70 117.90 2awt s GLU 8 Ca -0.19 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.00 2awt s GLU 8 Cb 0.03 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.41 2awt s GLU 8 CO 0.31 -1.38 0.62 0.41 -0.54 0.00 0.00 175.26 174.67 2awt n GLY 9 N 5.06 0.72 3.26 -1.50 0.00 -1.26 -5.14 105.19 106.34 2awt n GLY 9 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.06 -0.20 1.61 -7.23 -1.26 -5.12 120.40 108.26 2awt s VAL 10 Ca 0.00 -0.51 -0.27 0.00 -1.81 0.00 0.00 61.98 59.39 2awt s VAL 10 Cb 0.00 -0.76 0.08 0.00 0.56 0.00 0.00 36.38 36.27 2awt s VAL 10 CO 0.00 -0.28 0.78 -1.59 -0.31 0.00 0.00 175.10 173.70 2awt s LYS 11 N -1.77 0.83 0.22 4.82 0.00 -1.26 -5.16 119.74 117.42 2awt s LYS 11 Ca -0.10 0.65 0.00 0.00 0.00 0.00 0.00 55.97 56.52 2awt s LYS 11 Cb -0.03 0.40 0.00 0.00 0.00 0.00 0.00 37.83 38.20 2awt s LYS 11 CO 0.02 -0.17 0.00 0.25 0.00 0.00 0.00 175.35 175.45 2awt n THR 12 N 1.93 0.00 0.15 3.79 -2.24 -1.26 -5.10 114.28 111.55 2awt n THR 12 Ca -0.15 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 2awt n THR 12 Cb 0.56 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 2awt n THR 12 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2awt n GLU 13 N -0.54 0.00 -2.77 -0.78 2.13 -1.26 -4.98 120.64 112.43 2awt n GLU 13 Ca -0.09 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.52 2awt n GLU 13 Cb 0.27 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.97 2awt n GLU 13 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2awt n ASN 14 N -3.34 3.23 -3.89 4.31 4.13 -1.26 -5.06 115.26 113.38 2awt n ASN 14 Ca 0.00 -3.36 -0.07 0.00 1.68 0.00 0.00 54.58 52.83 2awt n ASN 14 Cb 0.00 -0.53 -0.03 0.00 -1.54 0.00 0.00 39.78 37.68 2awt n ASN 14 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2awt s ASN 15 N -3.23 -0.23 0.75 6.41 -0.87 -1.26 -5.17 114.94 111.34 2awt s ASN 15 Ca 0.42 -0.67 -0.12 0.00 -1.57 0.00 0.00 52.86 50.92 2awt s ASN 15 Cb 0.37 0.70 0.04 0.00 -0.02 0.00 0.00 41.25 42.35 2awt s ASN 15 CO -0.11 -1.31 1.11 -1.81 -2.57 0.00 0.00 177.10 172.42 2awt s ASP 16 N -2.94 5.04 -0.30 -1.22 1.01 -1.26 -5.00 116.67 112.00 2awt s ASP 16 Ca 0.13 1.10 0.01 0.00 0.71 0.00 0.00 52.55 54.50 2awt s ASP 16 Cb -0.05 -1.82 0.19 0.00 1.01 0.00 0.00 42.92 42.25 2awt s ASP 16 CO 0.07 -1.60 0.61 -1.38 0.21 0.00 0.00 175.17 173.08 2awt s HIS 17 N -3.36 -1.65 0.10 4.23 -3.43 -1.26 -3.84 115.29 106.08 2awt s HIS 17 Ca 0.60 1.53 0.01 0.00 -0.80 0.00 0.00 55.06 56.40 2awt s HIS 17 Cb -0.12 0.50 0.01 0.00 -1.43 0.00 0.00 32.58 31.54 2awt s HIS 17 CO 0.52 -0.92 0.12 0.44 -2.00 0.00 0.00 174.74 172.89 2awt n ILE 18 N 5.43 0.00 -4.38 -5.38 -5.35 0.91 -4.93 119.36 105.65 2awt n ILE 18 Ca 0.01 -0.36 -0.22 0.00 -0.27 0.00 0.00 62.75 61.90 2awt n ILE 18 Cb 0.52 -0.72 -0.13 0.00 -1.74 0.00 0.00 39.64 37.57 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 -1.62 2.04 0.01 7.28 2.47 -1.26 -3.18 114.94 120.68 2awt s ASN 19 Ca 0.09 -0.54 -0.05 0.00 0.42 0.00 0.00 52.86 52.78 2awt s ASN 19 Cb -0.01 -0.13 -0.01 0.00 -1.45 0.00 0.00 41.25 39.66 2awt s ASN 19 CO 0.06 0.05 0.08 -0.76 -3.72 0.00 0.00 177.10 172.81 2awt s LEU 20 N -1.39 1.80 -0.18 3.21 1.43 -1.04 -3.02 118.68 119.49 2awt s LEU 20 Ca 0.03 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 2awt s LEU 20 Cb -0.09 0.50 0.06 0.00 0.03 0.00 0.00 46.19 46.69 2awt s LEU 20 CO 0.02 -0.38 0.05 -0.54 0.23 0.00 0.00 176.35 175.73 2awt s LYS 21 N -1.67 0.43 -0.90 1.70 1.02 0.25 -2.13 119.74 118.44 2awt s LYS 21 Ca -0.13 -0.26 -0.19 0.00 0.02 0.00 0.00 55.97 55.41 2awt s LYS 21 Cb -0.07 -1.92 0.13 0.00 -0.52 0.00 0.00 37.83 35.45 2awt s LYS 21 CO -0.00 -0.63 1.09 0.08 -0.92 0.00 0.00 175.35 174.97 2awt s VAL 22 N 1.97 4.73 -0.27 3.17 1.01 0.93 -0.50 120.40 131.45 2awt s VAL 22 Ca 0.01 -1.50 -0.01 0.00 0.00 0.00 0.00 61.98 60.47 2awt s VAL 22 Cb -0.16 -4.76 0.04 0.00 0.00 0.00 0.00 36.38 31.50 2awt s VAL 22 CO -0.08 -1.48 -0.05 0.00 0.00 0.00 0.00 175.10 173.49 2awt s ALA 23 N 2.71 2.72 0.14 5.51 0.00 -0.99 -1.15 121.76 130.70 2awt s ALA 23 Ca 0.31 -1.60 -0.22 0.00 0.00 0.00 0.00 51.96 50.45 2awt s ALA 23 Cb -0.06 -1.75 -0.08 0.00 0.00 0.00 0.00 23.12 21.23 2awt s ALA 23 CO -0.08 -1.01 0.70 0.20 0.00 0.00 0.00 175.76 175.57 2awt s GLY 24 N 1.27 2.79 0.65 0.00 0.00 -0.20 -3.13 107.32 108.70 2awt s GLY 24 Ca -0.03 0.22 0.43 0.00 0.00 0.00 0.00 44.72 45.34 2awt s GLY 24 CO -0.03 0.67 2.30 -1.61 0.00 0.00 0.00 173.10 174.43 2awt h GLN 25 N 4.23 0.00 0.00 2.90 -0.00 -1.86 -3.11 115.11 117.27 2awt h GLN 25 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 2awt h GLN 25 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.69 2awt h GLN 25 CO 0.65 0.00 0.00 -3.47 0.00 0.00 0.00 178.83 176.01 2awt n ASP 26 N -3.01 0.00 -2.69 -0.69 2.03 -1.26 -4.67 116.55 106.25 2awt n ASP 26 Ca -0.03 0.33 -0.06 0.00 0.52 0.00 0.00 54.79 55.55 2awt n ASP 26 Cb 0.09 -0.32 0.08 0.00 -0.72 0.00 0.00 41.12 40.24 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 2.11 0.60 3.27 0.27 0.00 -1.21 -1.62 105.19 108.61 2awt n GLY 27 Ca 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.86 2.29 -0.30 1.61 0.15 -1.18 -4.92 113.70 110.49 2awt s SER 28 Ca 0.16 -0.75 -0.16 0.00 0.70 0.00 0.00 55.95 55.90 2awt s SER 28 Cb 0.29 -0.11 0.17 0.00 -1.71 0.00 0.00 66.02 64.66 2awt s SER 28 CO -0.07 -0.04 1.18 0.54 1.20 0.00 0.00 173.24 176.05 2awt s VAL 29 N -1.64 -0.14 -0.03 4.45 0.11 -1.08 -1.03 120.40 121.04 2awt s VAL 29 Ca 0.08 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.02 2awt s VAL 29 Cb -0.08 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.81 2awt s VAL 29 CO 0.04 0.00 0.23 -0.69 -3.33 0.00 0.00 175.10 171.35 2awt s VAL 30 N 2.98 0.05 -0.01 2.04 1.01 -0.30 -4.95 120.40 121.22 2awt s VAL 30 Ca -0.07 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.54 2awt s VAL 30 Cb -0.09 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 2awt s VAL 30 CO -0.08 -0.24 -0.17 0.00 0.00 0.00 0.00 175.10 174.61 2awt s GLN 31 N -0.97 2.30 0.21 2.72 -2.07 -1.26 -0.05 119.66 120.54 2awt s GLN 31 Ca -0.10 -0.83 -0.09 0.00 -1.82 0.00 0.00 55.36 52.52 2awt s GLN 31 Cb -0.05 -2.26 -0.01 0.00 -1.09 0.00 0.00 33.01 29.59 2awt s GLN 31 CO 0.02 0.59 0.34 -0.06 -1.32 0.00 0.00 175.29 174.86 2awt s PHE 32 N -0.78 0.57 -0.02 9.60 0.40 -0.90 -5.02 117.98 121.82 2awt s PHE 32 Ca 0.12 -0.90 0.01 0.00 -0.60 0.00 0.00 56.93 55.57 2awt s PHE 32 Cb -0.10 -0.06 0.01 0.00 0.51 0.00 0.00 43.02 43.37 2awt s PHE 32 CO 0.02 -0.84 -0.05 0.15 0.70 0.00 0.00 175.22 175.20 2awt s LYS 33 N -4.04 0.64 0.19 0.44 1.02 -1.26 -2.48 119.74 114.24 2awt s LYS 33 Ca 0.25 -0.15 -0.21 0.00 0.02 0.00 0.00 55.97 55.88 2awt s LYS 33 Cb 0.02 -0.65 0.05 0.00 -0.52 0.00 0.00 37.83 36.73 2awt s LYS 33 CO 0.07 0.02 0.59 -1.50 -0.92 0.00 0.00 175.35 173.61 2awt s ILE 34 N 0.40 0.01 1.28 2.17 2.07 -1.19 -5.00 121.20 120.94 2awt s ILE 34 Ca -0.05 -0.40 -0.21 0.00 -1.41 0.00 0.00 60.65 58.58 2awt s ILE 34 Cb -0.09 -1.32 0.33 0.00 0.13 0.00 0.00 42.46 41.51 2awt s ILE 34 CO -0.00 -0.06 0.88 0.29 -1.91 0.00 0.00 174.94 174.14 2awt n LYS 35 N -0.37 -4.09 -0.00 3.50 5.02 -1.25 -0.06 118.16 120.90 2awt n LYS 35 Ca -0.13 -1.44 0.13 0.00 -2.02 0.00 0.00 58.31 54.85 2awt n LYS 35 Cb 0.63 -1.67 0.30 0.00 -0.02 0.00 0.00 35.03 34.28 2awt n LYS 35 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2awt n ARG 36 N -5.20 2.01 -2.74 1.97 1.85 -1.26 -4.30 116.66 108.99 2awt n ARG 36 Ca 0.13 -1.47 -0.20 0.00 -1.00 0.00 0.00 57.85 55.31 2awt n ARG 36 Cb 0.55 -1.47 -0.00 0.00 -1.05 0.00 0.00 32.46 30.49 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 0.79 2.38 -4.96 2.89 -0.00 -1.26 -2.75 115.22 112.30 2awt n HIS 37 Ca 0.16 -3.31 -0.32 0.00 0.46 0.00 0.00 57.72 54.71 2awt n HIS 37 Cb 0.48 -0.30 -0.14 0.00 -0.12 0.00 0.00 29.99 29.91 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 -4.14 2.73 -0.12 3.57 -1.32 -1.26 -5.09 115.64 110.02 2awt s THR 38 Ca 0.41 -0.92 -0.29 0.00 -1.21 0.00 0.00 61.69 59.68 2awt s THR 38 Cb 0.39 -2.06 -0.04 0.00 -1.51 0.00 0.00 72.50 69.28 2awt s THR 38 CO -0.10 0.54 1.53 -2.16 -2.21 0.00 0.00 174.62 172.23 2awt s PRO 39 N -0.84 4.12 0.53 7.08 0.04 -1.26 -4.80 135.00 139.87 2awt s PRO 39 Ca 0.12 1.93 0.32 0.00 0.04 0.00 0.00 61.00 63.41 2awt s PRO 39 Cb -0.10 -3.93 1.48 0.00 0.04 0.00 0.00 34.50 31.98 2awt s PRO 39 CO 0.01 -0.90 1.87 -0.07 0.04 0.00 0.00 177.00 177.95 2awt h LEU 40 N 10.38 0.03 -0.33 -3.56 3.38 -1.88 -0.70 115.31 122.63 2awt h LEU 40 Ca -0.34 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.70 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 0.97 0.01 -0.10 0.77 0.09 0.00 0.00 178.44 180.17 2awt h SER 41 N 0.02 -0.37 -0.73 -0.43 4.64 -1.90 0.10 113.55 114.88 2awt h SER 41 Ca 0.46 0.11 0.21 0.00 -0.47 0.00 0.00 61.79 62.10 2awt h SER 41 Cb 1.81 0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 64.10 2awt h SER 41 CO -0.02 -0.13 0.61 0.07 -0.87 0.00 0.00 176.83 176.49 2awt h LYS 42 N -0.03 0.00 0.17 4.77 5.09 -1.52 0.13 116.57 125.18 2awt h LYS 42 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.90 2awt h LYS 42 Cb 0.28 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.61 2awt h LYS 42 CO -0.36 0.00 -0.08 1.25 -2.09 0.00 0.00 179.45 178.17 2awt h LEU 43 N 0.00 -0.19 -0.51 7.07 7.12 -0.90 -2.92 115.31 124.97 2awt h LEU 43 Ca 0.35 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.46 2awt h LEU 43 Cb 1.57 0.05 -0.07 0.00 -0.53 0.00 0.00 40.66 41.67 2awt h LEU 43 CO -0.00 0.10 0.08 0.00 -0.13 0.00 0.00 178.44 178.49 2awt h MET 44 N -0.70 0.21 -0.02 1.25 -0.00 -0.97 0.18 114.93 114.86 2awt h MET 44 Ca -0.02 -0.01 0.03 0.00 -0.00 0.00 0.00 59.70 59.69 2awt h MET 44 Cb 0.17 -0.05 -0.06 0.00 -0.00 0.00 0.00 31.60 31.67 2awt h MET 44 CO 0.04 0.14 -0.45 0.87 -0.00 0.00 0.00 176.91 177.51 2awt h LYS 45 N 0.21 -0.57 -0.61 -0.10 1.79 -0.90 -1.39 116.57 115.00 2awt h LYS 45 Ca 0.26 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.75 2awt h LYS 45 Cb 0.37 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 2awt h LYS 45 CO -0.36 -0.38 0.30 0.00 -1.08 0.00 0.00 179.45 177.93 2awt h ALA 46 N -0.10 1.38 0.01 3.86 0.00 -1.25 -2.74 119.26 120.42 2awt h ALA 46 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2awt h ALA 46 Cb 0.67 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2awt h ALA 46 CO -0.34 0.49 -0.03 -0.92 0.00 0.00 0.00 179.25 178.45 2awt h TYR 47 N 0.85 -0.08 -0.89 0.00 5.03 0.41 -1.59 116.97 120.70 2awt h TYR 47 Ca 0.21 0.00 0.24 0.00 2.58 0.00 0.00 58.73 61.76 2awt h TYR 47 Cb 0.08 0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.34 2awt h TYR 47 CO 0.01 -0.03 0.62 0.00 -1.32 0.00 0.00 178.16 177.43 2awt h GLU 49 N 0.16 0.29 0.03 0.00 4.57 -0.98 0.52 114.58 119.18 2awt h GLU 49 Ca 0.44 -0.02 -0.36 0.00 -1.18 0.00 0.00 59.36 58.24 2awt h GLU 49 Cb 1.49 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.96 2awt h GLU 49 CO -0.08 0.19 -2.21 2.89 -1.18 0.00 0.00 179.01 178.63 2awt n ARG 50 N -5.11 0.68 -3.28 1.92 1.85 -0.21 -4.66 116.66 107.85 2awt n ARG 50 Ca 0.12 0.16 -0.25 0.00 -1.00 0.00 0.00 57.85 56.88 2awt n ARG 50 Cb 0.39 -1.61 -0.07 0.00 -1.05 0.00 0.00 32.46 30.12 2awt n ARG 50 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2awt n GLN 51 N -3.16 1.82 -2.38 2.89 3.00 0.12 -5.01 117.38 114.67 2awt n GLN 51 Ca -0.34 -4.07 -0.43 0.00 -0.01 0.00 0.00 57.00 52.14 2awt n GLN 51 Cb 1.06 -1.84 0.00 0.00 0.00 0.00 0.00 30.24 29.46 2awt n GLN 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2awt n GLY 52 N 0.93 4.38 0.10 1.08 0.00 0.18 -4.08 105.19 107.79 2awt n GLY 52 Ca 0.26 -1.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 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 8.66 0.01 -5.75 0.99 4.07 -1.90 -3.47 115.31 117.92 2awt h LEU 53 Ca 0.41 -0.53 -0.08 0.00 0.08 0.00 0.00 57.88 57.76 2awt h LEU 53 Cb 0.68 -0.00 -0.18 0.00 1.08 0.00 0.00 40.66 42.24 2awt h LEU 53 CO 1.58 1.49 -0.46 -0.94 -1.08 0.00 0.00 178.44 179.03 2awt s SER 54 N -6.84 -1.52 0.49 -0.43 1.04 -1.26 -5.00 113.70 100.18 2awt s SER 54 Ca -0.28 -1.01 0.21 0.00 0.48 0.00 0.00 55.95 55.34 2awt s SER 54 Cb 0.06 1.95 1.26 0.00 0.10 0.00 0.00 66.02 69.39 2awt s SER 54 CO 0.60 -0.14 2.00 0.00 0.98 0.00 0.00 173.24 176.67 2awt h MET 55 N 6.51 0.14 0.00 4.02 -0.00 -1.90 0.28 114.93 123.98 2awt h MET 55 Ca 0.05 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.70 59.71 2awt h MET 55 Cb 1.16 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.73 2awt h MET 55 CO 0.08 0.09 -0.18 -0.09 -0.00 0.00 0.00 176.91 176.81 2awt h ARG 56 N 0.14 0.00 0.00 -0.10 9.65 -1.96 -3.30 114.38 118.82 2awt h ARG 56 Ca 0.25 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 59.04 2awt h ARG 56 Cb 0.80 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.37 2awt h ARG 56 CO -0.03 0.18 -0.96 1.04 2.80 0.00 0.00 179.97 183.00 2awt n GLN 57 N -3.52 0.50 -1.64 0.20 3.00 0.81 -4.87 117.38 111.85 2awt n GLN 57 Ca -0.01 0.45 -0.43 0.00 -0.01 0.00 0.00 57.00 57.00 2awt n GLN 57 Cb 0.33 -1.63 -0.03 0.00 0.00 0.00 0.00 30.24 28.91 2awt n GLN 57 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2awt s ILE 58 N -2.43 3.02 -0.04 5.09 1.01 0.33 -4.18 121.20 124.00 2awt s ILE 58 Ca -0.23 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 2awt s ILE 58 Cb 0.04 -3.02 0.07 0.00 0.01 0.00 0.00 42.46 39.57 2awt s ILE 58 CO 0.36 -0.01 0.67 -0.60 0.00 0.00 0.00 174.94 175.36 2awt s ARG 59 N 5.41 1.06 -0.17 2.79 3.52 -1.26 -4.81 118.95 125.49 2awt s ARG 59 Ca 0.94 0.22 -0.29 0.00 -0.13 0.00 0.00 55.73 56.47 2awt s ARG 59 Cb -0.38 0.50 -0.00 0.00 -1.56 0.00 0.00 34.95 33.51 2awt s ARG 59 CO 0.38 -0.33 1.11 -0.06 -0.81 0.00 0.00 175.30 175.59 2awt s PHE 60 N -1.29 3.22 -0.11 5.12 0.08 -1.26 -4.32 117.98 119.41 2awt s PHE 60 Ca -0.11 1.34 -0.13 0.00 0.12 0.00 0.00 56.93 58.15 2awt s PHE 60 Cb -0.00 -3.34 0.03 0.00 -0.57 0.00 0.00 43.02 39.14 2awt s PHE 60 CO 0.09 -0.86 0.35 -0.98 -0.10 0.00 0.00 175.22 173.72 2awt s ARG 61 N 3.00 0.47 0.33 0.44 1.04 -1.15 -3.85 118.95 119.21 2awt s ARG 61 Ca 0.49 0.37 0.06 0.00 -1.04 0.00 0.00 55.73 55.61 2awt s ARG 61 Cb -0.18 0.22 -0.01 0.00 -2.04 0.00 0.00 34.95 32.94 2awt s ARG 61 CO 0.12 -0.08 0.46 0.12 -0.04 0.00 0.00 175.30 175.89 2awt s PHE 62 N -0.09 3.17 -1.27 5.89 5.36 -1.19 -2.39 117.98 127.46 2awt s PHE 62 Ca -0.03 -0.16 -0.08 0.00 -0.96 0.00 0.00 56.93 55.70 2awt s PHE 62 Cb -0.03 -1.94 -0.08 0.00 -0.34 0.00 0.00 43.02 40.63 2awt s PHE 62 CO 0.01 0.04 2.60 -0.25 -1.46 0.00 0.00 175.22 176.17 2awt n ASP 63 N -1.63 7.00 0.00 6.13 8.00 -1.26 -3.04 116.55 131.76 2awt n ASP 63 Ca -0.01 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 53.03 2awt n ASP 63 Cb 0.58 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 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 3.63 0.05 3.62 0.44 0.00 -1.26 -5.16 105.19 106.51 2awt n GLY 64 Ca 0.63 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.61 0.16 0.45 1.61 0.00 -1.17 -5.16 119.66 114.94 2awt s GLN 65 Ca 0.00 -0.03 -0.23 0.00 -0.00 0.00 0.00 55.36 55.09 2awt s GLN 65 Cb 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 33.01 33.01 2awt s GLN 65 CO 0.00 -0.07 1.17 -1.25 0.00 0.00 0.00 175.29 175.14 2awt s PRO 66 N -1.87 3.79 0.59 9.60 0.04 -1.26 -3.17 135.00 142.72 2awt s PRO 66 Ca 0.10 1.79 -0.09 0.00 0.04 0.00 0.00 61.00 62.83 2awt s PRO 66 Cb -0.01 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 2awt s PRO 66 CO -0.04 -0.53 0.96 0.42 0.04 0.00 0.00 177.00 177.85 2awt s ILE 67 N -1.52 4.61 0.80 0.56 -1.09 -1.25 -4.95 121.20 118.35 2awt s ILE 67 Ca 0.63 0.60 -0.04 0.00 -2.23 0.00 0.00 60.65 59.61 2awt s ILE 67 Cb -0.29 -3.82 0.16 0.00 -1.58 0.00 0.00 42.46 36.94 2awt s ILE 67 CO 0.35 -0.99 1.10 0.20 -1.23 0.00 0.00 174.94 174.37 2awt s ASN 68 N -4.18 3.90 -0.13 3.58 0.01 -1.26 -5.03 114.94 111.82 2awt s ASN 68 Ca 0.53 -0.36 0.16 0.00 -0.71 0.00 0.00 52.86 52.48 2awt s ASN 68 Cb -0.11 0.16 -0.24 0.00 0.41 0.00 0.00 41.25 41.47 2awt s ASN 68 CO 0.51 -2.18 0.34 -1.84 -1.51 0.00 0.00 177.10 172.41 2awt n GLU 69 N -3.10 0.66 -0.97 -0.60 0.28 -1.26 -4.20 120.64 111.46 2awt n GLU 69 Ca 0.17 0.12 -0.03 0.00 -0.16 0.00 0.00 57.16 57.26 2awt n GLU 69 Cb 0.60 -1.64 0.32 0.00 1.43 0.00 0.00 31.44 32.16 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 -2.86 2.87 -2.55 3.84 5.66 -1.26 -4.83 114.28 115.14 2awt n THR 70 Ca -0.25 -1.65 -0.22 0.00 -3.05 0.00 0.00 64.05 58.88 2awt n THR 70 Cb 1.10 -0.34 0.04 0.00 -1.55 0.00 0.00 70.33 69.58 2awt n THR 70 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2awt s ASP 71 N -1.09 5.21 0.08 1.09 -4.77 -1.26 -5.12 116.67 110.81 2awt s ASP 71 Ca 0.54 0.13 -0.09 0.00 -3.30 0.00 0.00 52.55 49.83 2awt s ASP 71 Cb 0.43 -0.98 0.00 0.00 -1.09 0.00 0.00 42.92 41.28 2awt s ASP 71 CO 0.13 -1.22 0.20 0.42 0.70 0.00 0.00 175.17 175.41 2awt s THR 72 N -2.86 0.13 -0.38 2.11 -4.23 -1.26 -4.72 115.64 104.43 2awt s THR 72 Ca 0.57 -1.10 0.25 0.00 -1.18 0.00 0.00 61.69 60.23 2awt s THR 72 Cb -0.10 -1.27 0.27 0.00 1.34 0.00 0.00 72.50 72.74 2awt s THR 72 CO 0.40 -0.61 1.75 1.55 -0.54 0.00 0.00 174.62 177.17 2awt h PRO 73 N 2.83 0.00 -0.13 3.99 0.13 -1.87 -2.21 132.00 134.73 2awt h PRO 73 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2awt h PRO 73 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2awt h PRO 73 CO 0.55 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.32 2awt n ALA 74 N -1.82 2.52 -0.27 -0.56 0.00 -1.11 -2.90 120.51 116.37 2awt n ALA 74 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2awt n ALA 74 Cb 0.24 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2awt n ALA 74 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2awt n GLN 75 N 0.49 -0.37 0.00 0.00 7.27 -0.85 -4.69 117.38 119.24 2awt n GLN 75 Ca 0.17 -0.33 0.00 0.00 0.07 0.00 0.00 57.00 56.91 2awt n GLN 75 Cb 0.39 -0.83 0.00 0.00 2.41 0.00 0.00 30.24 32.22 2awt n GLN 75 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2awt n LEU 76 N -0.04 0.68 -3.83 1.69 4.77 -1.09 -4.95 117.00 114.23 2awt n LEU 76 Ca 0.00 -0.68 -0.24 0.00 -0.03 0.00 0.00 56.01 55.06 2awt n LEU 76 Cb 0.07 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2awt n LEU 76 CO 0.00 0.17 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.52 2awt n GLU 77 N -0.01 -4.44 -2.02 3.23 1.02 -1.14 -4.87 120.64 112.40 2awt n GLU 77 Ca 0.00 0.54 -0.39 0.00 -0.02 0.00 0.00 57.16 57.29 2awt n GLU 77 Cb 0.08 -5.02 0.02 0.00 -0.02 0.00 0.00 31.44 26.50 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 -4.37 3.30 -1.39 3.49 2.81 -1.19 -4.95 117.12 114.82 2awt n MET 78 Ca -0.24 -3.62 0.00 0.00 -1.81 0.00 0.00 57.70 52.03 2awt n MET 78 Cb 0.65 -2.31 0.00 0.00 -0.71 0.00 0.00 33.22 30.86 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 -0.23 2.28 -3.13 0.03 1.02 -1.26 -4.44 120.64 114.91 2awt n GLU 79 Ca 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.53 2awt n GLU 79 Cb 0.27 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.76 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 -1.06 -2.16 -3.21 1.62 8.00 -1.26 -3.11 116.55 115.37 2awt n ASP 80 Ca 0.00 -0.48 -0.19 0.00 0.71 0.00 0.00 54.79 54.83 2awt n ASP 80 Cb 0.00 -4.12 0.07 0.00 -0.02 0.00 0.00 41.12 37.06 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 -3.47 -6.59 -1.96 -1.24 1.02 -1.24 -4.91 120.64 102.25 2awt n GLU 81 Ca -0.22 0.75 -0.42 0.00 -0.02 0.00 0.00 57.16 57.25 2awt n GLU 81 Cb 0.63 -5.51 -0.03 0.00 -0.02 0.00 0.00 31.44 26.52 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 -3.69 6.64 -0.52 1.62 2.15 -1.17 -4.71 116.67 116.99 2awt s ASP 82 Ca 0.30 2.33 -0.18 0.00 0.43 0.00 0.00 52.55 55.43 2awt s ASP 82 Cb -0.13 -2.54 0.08 0.00 -0.30 0.00 0.00 42.92 40.03 2awt s ASP 82 CO 0.65 -0.92 0.57 -0.89 -0.17 0.00 0.00 175.17 174.41 2awt s THR 83 N 3.73 4.99 -0.04 1.71 2.01 -1.26 -0.58 115.64 126.19 2awt s THR 83 Ca 0.75 -0.87 -0.20 0.00 0.31 0.00 0.00 61.69 61.68 2awt s THR 83 Cb -0.36 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 67.80 2awt s THR 83 CO 0.31 -0.84 0.57 -0.63 -0.69 0.00 0.00 174.62 173.35 2awt s ILE 84 N 2.29 5.00 0.08 1.82 1.01 0.35 -4.91 121.20 126.82 2awt s ILE 84 Ca 0.10 1.19 -0.31 0.00 0.00 0.00 0.00 60.65 61.63 2awt s ILE 84 Cb -0.23 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.27 2awt s ILE 84 CO 0.08 0.38 1.20 -0.62 0.00 0.00 0.00 174.94 175.99 2awt s ASP 85 N 0.08 7.08 0.35 3.58 2.15 -1.01 -2.35 116.67 126.55 2awt s ASP 85 Ca 0.30 2.05 0.06 0.00 0.43 0.00 0.00 52.55 55.39 2awt s ASP 85 Cb -0.17 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 39.80 2awt s ASP 85 CO 0.16 -0.46 0.01 0.54 -0.17 0.00 0.00 175.17 175.24 2awt s VAL 86 N 0.93 1.64 -0.29 1.11 0.11 -1.18 -2.93 120.40 119.79 2awt s VAL 86 Ca 0.58 -2.04 0.02 0.00 -2.93 0.00 0.00 61.98 57.61 2awt s VAL 86 Cb -0.30 -2.80 0.08 0.00 -1.53 0.00 0.00 36.38 31.83 2awt s VAL 86 CO 0.30 -0.07 0.00 0.12 -3.33 0.00 0.00 175.10 172.13 2awt s PHE 87 N -2.98 2.81 0.00 1.54 2.19 -1.26 -3.54 117.98 116.74 2awt s PHE 87 Ca 0.34 -2.23 0.00 0.00 0.33 0.00 0.00 56.93 55.37 2awt s PHE 87 Cb 0.08 -2.09 0.00 0.00 -1.31 0.00 0.00 43.02 39.70 2awt s PHE 87 CO 0.16 -0.86 0.77 0.94 1.83 0.00 0.00 175.22 178.06 2awt n GLN 88 N 4.54 0.00 -3.88 10.12 7.27 -1.26 -0.51 117.38 133.66 2awt n GLN 88 Ca -0.05 0.28 -0.03 0.00 0.07 0.00 0.00 57.00 57.27 2awt n GLN 88 Cb 0.43 -1.28 0.02 0.00 2.41 0.00 0.00 30.24 31.82 2awt n GLN 88 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2awt s GLN 89 N -2.11 1.31 -0.63 3.69 -2.07 -1.26 -4.21 119.66 114.38 2awt s GLN 89 Ca 0.00 -0.84 0.02 0.00 -1.82 0.00 0.00 55.36 52.72 2awt s GLN 89 Cb 0.00 0.37 0.39 0.00 -1.09 0.00 0.00 33.01 32.68 2awt s GLN 89 CO 0.00 -0.61 1.57 0.94 -1.32 0.00 0.00 175.29 175.87 2awt n GLN 90 N -0.69 3.10 -0.09 9.60 0.00 -1.26 -4.57 117.38 123.47 2awt n GLN 90 Ca -0.03 -3.99 -0.09 0.00 -0.00 0.00 0.00 57.00 52.89 2awt n GLN 90 Cb 0.59 -2.26 -0.13 0.00 0.00 0.00 0.00 30.24 28.44 2awt n GLN 90 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2awt n THR 91 N -0.54 1.17 -2.40 1.69 5.66 -1.26 -5.07 114.28 113.53 2awt n THR 91 Ca 0.47 -0.71 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 2awt n THR 91 Cb 0.48 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 2awt n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2awt n GLY 92 N 1.97 4.38 3.00 1.09 0.00 -1.26 -5.15 105.19 109.22 2awt n GLY 92 Ca -0.28 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2awt n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2awt s GLY 93 N 0.00 -1.38 -0.28 -0.02 0.00 -1.26 -5.04 107.32 99.34 2awt s GLY 93 Ca 0.00 0.40 -0.11 0.00 0.00 0.00 0.00 44.72 45.01 2awt s GLY 93 CO 0.00 3.86 0.64 0.54 0.00 0.00 0.00 173.10 178.14 2awt s VAL 94 N 1.68 -0.67 -1.79 1.40 0.11 -1.22 -5.08 120.40 114.83 2awt s VAL 94 Ca 0.18 0.02 0.14 0.00 -2.93 0.00 0.00 61.98 59.39 2awt s VAL 94 Cb -0.01 -0.96 0.11 0.00 -1.53 0.00 0.00 36.38 33.99 2awt s VAL 94 CO -0.09 0.01 0.95 0.00 -3.33 0.00 0.00 175.10 172.64