#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2awt s ALA 2 N 0.00 -0.72 0.30 3.04 0.00 -1.26 -5.16 121.76 117.96 2awt s ALA 2 Ca 0.00 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.16 2awt s ALA 2 Cb 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 2awt s ALA 2 CO 0.00 -0.38 0.37 -0.51 0.00 0.00 0.00 175.76 175.24 2awt s ASP 3 N 1.73 5.91 -0.36 0.00 1.01 -1.26 -5.02 116.67 118.68 2awt s ASP 3 Ca -0.06 -0.17 -0.27 0.00 0.71 0.00 0.00 52.55 52.76 2awt s ASP 3 Cb -0.11 -1.40 -0.05 0.00 1.01 0.00 0.00 42.92 42.38 2awt s ASP 3 CO -0.10 -0.26 2.21 -1.61 0.21 0.00 0.00 175.17 175.62 2awt s GLU 4 N -4.04 2.75 -0.52 8.23 8.01 -1.26 -4.88 118.70 126.98 2awt s GLU 4 Ca 0.39 1.62 0.06 0.00 0.01 0.00 0.00 54.97 57.06 2awt s GLU 4 Cb -0.09 -4.43 0.22 0.00 -4.31 0.00 0.00 34.13 25.53 2awt s GLU 4 CO 0.29 -2.55 0.56 1.63 0.01 0.00 0.00 175.26 175.20 2awt n LYS 5 N 8.84 1.37 -2.10 1.61 4.76 -1.26 -5.09 118.16 126.30 2awt n LYS 5 Ca 0.31 -3.87 -0.43 0.00 -2.87 0.00 0.00 58.31 51.45 2awt n LYS 5 Cb 0.49 -1.79 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 2awt n LYS 5 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2awt s PRO 6 N -1.43 3.64 -0.10 1.97 0.04 -1.26 -4.84 135.00 133.02 2awt s PRO 6 Ca 0.35 1.52 0.14 0.00 0.04 0.00 0.00 61.00 63.05 2awt s PRO 6 Cb 0.11 -4.08 -0.21 0.00 0.04 0.00 0.00 34.50 30.36 2awt s PRO 6 CO -0.10 -1.48 0.17 0.36 0.04 0.00 0.00 177.00 175.99 2awt n LYS 7 N 7.93 1.13 -1.63 4.56 -0.00 -1.26 -5.01 118.16 123.89 2awt n LYS 7 Ca 0.20 -0.06 -0.29 0.00 -0.00 0.00 0.00 58.31 58.15 2awt n LYS 7 Cb 0.46 -1.38 0.13 0.00 -0.00 0.00 0.00 35.03 34.24 2awt n LYS 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2awt s GLU 8 N -2.66 1.16 0.00 -1.58 0.41 -1.26 -5.09 118.70 109.68 2awt s GLU 8 Ca -0.07 0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.66 2awt s GLU 8 Cb 0.07 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.57 2awt s GLU 8 CO 0.63 -2.16 0.00 0.41 -0.49 0.00 0.00 175.26 173.66 2awt n GLY 9 N -2.53 3.74 2.76 -1.39 0.00 -1.26 -5.11 105.19 101.40 2awt n GLY 9 Ca 0.08 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 2awt n GLY 9 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2awt n VAL 10 N 0.00 1.36 -4.00 1.61 0.31 -1.26 -5.07 118.33 111.29 2awt n VAL 10 Ca 0.00 -4.74 -0.10 0.00 -0.01 0.00 0.00 64.34 59.49 2awt n VAL 10 Cb 0.00 -2.11 -0.11 0.00 -0.91 0.00 0.00 33.84 30.71 2awt n VAL 10 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2awt s LYS 11 N -1.44 0.36 -0.02 5.55 1.02 -1.26 -5.05 119.74 118.90 2awt s LYS 11 Ca 0.28 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.64 2awt s LYS 11 Cb 0.00 0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.31 2awt s LYS 11 CO -0.15 -0.03 -0.01 0.25 -0.92 0.00 0.00 175.35 174.50 2awt n THR 12 N 1.57 0.12 -2.00 2.17 -2.24 -1.26 -5.04 114.28 107.60 2awt n THR 12 Ca -0.24 -0.06 -0.39 0.00 -2.27 0.00 0.00 64.05 61.10 2awt n THR 12 Cb 0.55 -0.77 0.01 0.00 -2.10 0.00 0.00 70.33 68.02 2awt n THR 12 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2awt s GLU 13 N -2.04 3.67 -0.54 -0.78 2.02 -1.26 -4.98 118.70 114.79 2awt s GLU 13 Ca -0.02 2.12 -0.16 0.00 0.02 0.00 0.00 54.97 56.93 2awt s GLU 13 Cb 0.01 -2.53 0.13 0.00 0.10 0.00 0.00 34.13 31.83 2awt s GLU 13 CO 0.06 -0.73 0.50 -0.80 0.02 0.00 0.00 175.26 174.32 2awt s ASN 14 N -0.91 6.19 0.34 -0.19 -0.87 -1.26 -5.03 114.94 113.20 2awt s ASN 14 Ca 0.63 -1.78 0.04 0.00 -1.57 0.00 0.00 52.86 50.18 2awt s ASN 14 Cb -0.37 -2.21 -0.03 0.00 -0.02 0.00 0.00 41.25 38.62 2awt s ASN 14 CO 0.46 -0.86 0.18 0.20 -2.57 0.00 0.00 177.10 174.51 2awt s ASN 15 N 3.58 1.89 0.49 -1.22 -0.87 -1.26 -5.16 114.94 112.39 2awt s ASN 15 Ca 0.03 -1.63 -0.05 0.00 -1.57 0.00 0.00 52.86 49.64 2awt s ASN 15 Cb -0.30 0.45 -0.03 0.00 -0.02 0.00 0.00 41.25 41.36 2awt s ASN 15 CO 0.03 -0.94 0.80 -1.81 -2.57 0.00 0.00 177.10 172.61 2awt s ASP 16 N -3.43 6.15 -0.29 -1.22 1.11 -1.26 -5.03 116.67 112.70 2awt s ASP 16 Ca 0.34 0.87 0.01 0.00 0.18 0.00 0.00 52.55 53.95 2awt s ASP 16 Cb 0.04 -2.14 0.15 0.00 1.07 0.00 0.00 42.92 42.03 2awt s ASP 16 CO 0.19 -0.65 0.35 -1.00 1.18 0.00 0.00 175.17 175.25 2awt s HIS 17 N -2.77 -0.75 0.61 4.23 3.76 -1.26 -3.97 115.29 115.15 2awt s HIS 17 Ca 0.48 0.11 0.08 0.00 -0.15 0.00 0.00 55.06 55.58 2awt s HIS 17 Cb -0.10 -0.29 0.11 0.00 1.11 0.00 0.00 32.58 33.40 2awt s HIS 17 CO 0.45 -0.95 0.85 0.44 -0.85 0.00 0.00 174.74 174.68 2awt n ILE 18 N 5.33 0.00 -5.08 0.60 -5.35 0.83 -4.97 119.36 110.72 2awt n ILE 18 Ca -0.01 -1.92 -0.29 0.00 -0.27 0.00 0.00 62.75 60.27 2awt n ILE 18 Cb 0.48 -0.56 -0.16 0.00 -1.74 0.00 0.00 39.64 37.66 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 -4.74 2.64 0.04 7.28 2.47 -1.26 -3.39 114.94 117.98 2awt s ASN 19 Ca 0.63 -0.43 0.00 0.00 0.42 0.00 0.00 52.86 53.49 2awt s ASN 19 Cb -0.05 -0.56 -0.03 0.00 -1.45 0.00 0.00 41.25 39.17 2awt s ASN 19 CO 0.40 0.23 -0.04 -0.76 -3.72 0.00 0.00 177.10 173.21 2awt s LEU 20 N -0.25 2.31 -0.21 3.21 1.43 -1.10 -3.03 118.68 121.03 2awt s LEU 20 Ca 0.01 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 2awt s LEU 20 Cb -0.11 0.06 0.06 0.00 0.03 0.00 0.00 46.19 46.23 2awt s LEU 20 CO 0.01 -0.35 -0.01 -0.54 0.23 0.00 0.00 176.35 175.69 2awt s LYS 21 N -2.13 1.15 -1.02 1.70 -0.14 0.87 -2.83 119.74 117.34 2awt s LYS 21 Ca -0.08 -0.71 -0.17 0.00 -1.36 0.00 0.00 55.97 53.65 2awt s LYS 21 Cb -0.05 -2.35 0.14 0.00 -1.68 0.00 0.00 37.83 33.89 2awt s LYS 21 CO -0.03 -0.62 1.23 0.08 -0.76 0.00 0.00 175.35 175.26 2awt s VAL 22 N 1.62 4.78 -0.23 3.17 1.01 0.98 -1.35 120.40 130.39 2awt s VAL 22 Ca -0.03 -1.86 0.01 0.00 0.00 0.00 0.00 61.98 60.09 2awt s VAL 22 Cb -0.18 -4.83 0.04 0.00 0.00 0.00 0.00 36.38 31.41 2awt s VAL 22 CO -0.07 -1.56 -0.13 0.00 0.00 0.00 0.00 175.10 173.34 2awt s ALA 23 N 2.45 2.51 0.35 5.51 0.00 -1.21 0.05 121.76 131.42 2awt s ALA 23 Ca 0.36 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 2awt s ALA 23 Cb -0.04 -1.45 -0.11 0.00 0.00 0.00 0.00 23.12 21.52 2awt s ALA 23 CO -0.07 -0.76 1.50 0.20 0.00 0.00 0.00 175.76 176.63 2awt s GLY 24 N 1.23 2.74 0.56 0.00 0.00 0.20 -3.08 107.32 108.97 2awt s GLY 24 Ca -0.01 1.54 0.38 0.00 0.00 0.00 0.00 44.72 46.63 2awt s GLY 24 CO -0.08 2.30 2.15 -1.61 0.00 0.00 0.00 173.10 175.87 2awt h GLN 25 N 3.52 0.00 0.00 2.90 4.15 -1.86 -3.10 115.11 120.72 2awt h GLN 25 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2awt h GLN 25 Cb 1.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.92 2awt h GLN 25 CO 0.68 0.00 0.00 -0.40 -1.93 0.00 0.00 178.83 177.18 2awt n ASP 26 N -2.84 0.00 -2.69 -0.69 5.68 -1.26 -4.93 116.55 109.82 2awt n ASP 26 Ca -0.02 0.38 -0.06 0.00 -0.50 0.00 0.00 54.79 54.58 2awt n ASP 26 Cb 0.08 -0.37 0.08 0.00 -1.14 0.00 0.00 41.12 39.76 2awt n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2awt n GLY 27 N 2.10 0.29 3.08 6.12 0.00 -1.21 -5.06 105.19 110.50 2awt n GLY 27 Ca 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.84 1.00 -0.21 1.61 0.01 -1.18 -4.77 113.70 109.33 2awt s SER 28 Ca 0.18 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 56.86 2awt s SER 28 Cb 0.28 0.01 0.11 0.00 0.21 0.00 0.00 66.02 66.63 2awt s SER 28 CO -0.08 -0.15 0.39 -0.69 0.41 0.00 0.00 173.24 173.12 2awt s VAL 29 N -1.25 -0.62 0.03 3.43 1.01 -1.26 -0.63 120.40 121.11 2awt s VAL 29 Ca -0.07 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2awt s VAL 29 Cb -0.09 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 2awt s VAL 29 CO 0.01 0.00 -0.09 -0.69 0.00 0.00 0.00 175.10 174.33 2awt s VAL 30 N 2.57 0.67 -0.11 2.92 1.01 0.11 -4.92 120.40 122.65 2awt s VAL 30 Ca 0.04 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2awt s VAL 30 Cb -0.13 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2awt s VAL 30 CO -0.14 -0.15 -0.13 -1.10 0.00 0.00 0.00 175.10 173.59 2awt s GLN 31 N -1.09 3.18 0.04 2.72 1.11 -1.26 -0.01 119.66 124.35 2awt s GLN 31 Ca -0.04 -0.68 -0.14 0.00 0.01 0.00 0.00 55.36 54.51 2awt s GLN 31 Cb -0.07 -2.58 0.02 0.00 -1.01 0.00 0.00 33.01 29.37 2awt s GLN 31 CO 0.01 0.32 0.31 -0.06 0.01 0.00 0.00 175.29 175.87 2awt s PHE 32 N 0.08 -0.12 0.13 0.91 0.08 -1.13 -4.97 117.98 112.97 2awt s PHE 32 Ca -0.05 -0.00 0.10 0.00 0.12 0.00 0.00 56.93 57.09 2awt s PHE 32 Cb -0.15 0.11 -0.04 0.00 -0.57 0.00 0.00 43.02 42.37 2awt s PHE 32 CO 0.04 -0.51 -0.24 0.21 -0.10 0.00 0.00 175.22 174.63 2awt s LYS 33 N -2.52 1.33 0.20 0.44 2.20 -1.26 -2.71 119.74 117.42 2awt s LYS 33 Ca -0.05 -1.33 -0.22 0.00 -0.36 0.00 0.00 55.97 54.01 2awt s LYS 33 Cb -0.01 -1.69 0.05 0.00 -1.51 0.00 0.00 37.83 34.67 2awt s LYS 33 CO -0.03 0.39 0.64 -1.50 -0.36 0.00 0.00 175.35 174.49 2awt s ILE 34 N -1.26 0.00 0.00 5.43 2.07 -1.22 -5.02 121.20 121.20 2awt s ILE 34 Ca 0.13 -0.36 0.00 0.00 -1.41 0.00 0.00 60.65 59.01 2awt s ILE 34 Cb -0.09 -1.36 0.00 0.00 0.13 0.00 0.00 42.46 41.14 2awt s ILE 34 CO 0.06 -0.00 0.00 0.29 -1.91 0.00 0.00 174.94 173.38 2awt n LYS 35 N -0.41 0.19 0.00 3.50 5.02 -1.25 -0.12 118.16 125.08 2awt n LYS 35 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2awt n LYS 35 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.64 2awt n LYS 35 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2awt n ARG 36 N -0.91 0.00 -2.97 1.97 0.63 -1.26 -4.46 116.66 109.66 2awt n ARG 36 Ca 0.00 0.50 -0.44 0.00 -0.92 0.00 0.00 57.85 56.99 2awt n ARG 36 Cb 0.00 -1.09 -0.00 0.00 0.45 0.00 0.00 32.46 31.82 2awt n ARG 36 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2awt s HIS 37 N -1.36 3.55 -0.03 -0.14 2.46 -1.26 -4.10 115.29 114.41 2awt s HIS 37 Ca 0.00 -2.18 0.02 0.00 0.47 0.00 0.00 55.06 53.37 2awt s HIS 37 Cb 0.00 -4.29 0.01 0.00 -0.13 0.00 0.00 32.58 28.17 2awt s HIS 37 CO 0.00 -1.37 -0.06 0.99 -2.47 0.00 0.00 174.74 171.83 2awt s THR 38 N 1.40 0.56 -0.38 0.89 2.01 -1.26 -5.11 115.64 113.74 2awt s THR 38 Ca 0.42 -0.21 -0.28 0.00 0.31 0.00 0.00 61.69 61.93 2awt s THR 38 Cb -0.03 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 2awt s THR 38 CO -0.00 0.20 1.72 -2.16 -0.69 0.00 0.00 174.62 173.69 2awt s PRO 39 N 0.42 3.30 0.60 4.92 0.04 -1.26 -4.79 135.00 138.23 2awt s PRO 39 Ca -0.05 1.22 0.28 0.00 0.04 0.00 0.00 61.00 62.49 2awt s PRO 39 Cb -0.09 -4.18 1.42 0.00 0.04 0.00 0.00 34.50 31.69 2awt s PRO 39 CO 0.00 -1.90 1.83 -0.07 0.04 0.00 0.00 177.00 176.90 2awt h LEU 40 N 13.69 0.00 -0.68 -3.56 3.38 -1.84 -1.11 115.31 125.18 2awt h LEU 40 Ca -0.31 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.80 2awt h LEU 40 Cb 1.15 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.79 2awt h LEU 40 CO 1.07 0.00 0.08 -1.28 0.09 0.00 0.00 178.44 178.40 2awt h SER 41 N 0.00 -0.15 -0.96 -0.43 0.87 -1.89 0.29 113.55 111.28 2awt h SER 41 Ca 0.22 0.15 0.23 0.00 -1.23 0.00 0.00 61.79 61.16 2awt h SER 41 Cb 1.30 0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 63.43 2awt h SER 41 CO -0.00 -0.09 0.64 0.07 -0.53 0.00 0.00 176.83 176.92 2awt h LYS 42 N 0.18 0.35 -0.04 2.24 5.09 -1.60 -0.59 116.57 122.20 2awt h LYS 42 Ca 0.37 -0.02 -0.05 0.00 0.09 0.00 0.00 60.65 61.04 2awt h LYS 42 Cb 0.63 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 32.88 2awt h LYS 42 CO -0.53 0.23 -0.18 1.25 -2.09 0.00 0.00 179.45 178.13 2awt h LEU 43 N 0.36 0.22 -0.14 7.07 7.12 -0.62 -3.05 115.31 126.27 2awt h LEU 43 Ca 0.51 -0.66 0.05 0.00 0.13 0.00 0.00 57.88 57.91 2awt h LEU 43 Cb 1.37 -0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 41.37 2awt h LEU 43 CO -0.20 0.84 -0.27 -0.03 -0.13 0.00 0.00 178.44 178.66 2awt h MET 44 N -0.39 -0.31 -0.24 1.25 4.05 -0.51 0.27 114.93 119.03 2awt h MET 44 Ca -0.01 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.49 2awt h MET 44 Cb 0.84 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.64 2awt h MET 44 CO 0.04 -0.21 -0.26 -0.22 0.23 0.00 0.00 176.91 176.48 2awt h LYS 45 N -0.33 -0.26 -0.93 0.39 3.64 -1.39 -1.25 116.57 116.43 2awt h LYS 45 Ca 0.10 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2awt h LYS 45 Cb 0.49 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 2awt h LYS 45 CO -0.33 -0.18 0.61 0.00 -2.27 0.00 0.00 179.45 177.29 2awt h ALA 46 N 0.73 1.19 0.00 5.00 0.00 -1.32 -2.39 119.26 122.48 2awt h ALA 46 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2awt h ALA 46 Cb 0.48 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2awt h ALA 46 CO -0.40 0.55 -0.04 -0.92 0.00 0.00 0.00 179.25 178.44 2awt h TYR 47 N 1.24 -0.11 -0.93 0.00 5.03 0.70 -1.44 116.97 121.45 2awt h TYR 47 Ca 0.35 0.00 0.24 0.00 2.58 0.00 0.00 58.73 61.90 2awt h TYR 47 Cb -0.11 0.05 -0.06 0.00 1.55 0.00 0.00 36.73 38.16 2awt h TYR 47 CO -0.01 -0.04 0.63 0.00 -1.32 0.00 0.00 178.16 177.43 2awt h GLU 49 N 0.25 0.66 0.00 0.00 4.81 -0.73 0.49 114.58 120.07 2awt h GLU 49 Ca 0.48 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 59.41 2awt h GLU 49 Cb 1.45 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.63 2awt h GLU 49 CO -0.13 0.44 -2.24 2.89 -0.73 0.00 0.00 179.01 179.23 2awt n ARG 50 N -4.83 0.74 -3.18 1.92 1.85 0.13 -4.73 116.66 108.55 2awt n ARG 50 Ca 0.21 -0.06 -0.23 0.00 -1.00 0.00 0.00 57.85 56.77 2awt n ARG 50 Cb 0.54 -1.51 -0.06 0.00 -1.05 0.00 0.00 32.46 30.38 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 -2.59 0.63 -1.34 2.89 6.02 0.14 -5.03 117.38 118.10 2awt n GLN 51 Ca -0.24 -3.07 -0.39 0.00 -0.01 0.00 0.00 57.00 53.29 2awt n GLN 51 Cb 0.97 -1.31 -0.02 0.00 1.02 0.00 0.00 30.24 30.90 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 1.68 3.69 0.07 1.08 0.00 0.17 -4.00 105.19 107.89 2awt n GLY 52 Ca 0.21 -1.37 0.01 0.00 0.00 0.00 0.00 46.02 44.87 2awt n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2awt n LEU 53 N 5.68 0.33 -3.59 0.99 4.77 -1.26 -4.81 117.00 119.11 2awt n LEU 53 Ca 0.55 0.14 -0.29 0.00 -0.03 0.00 0.00 56.01 56.39 2awt n LEU 53 Cb 0.32 0.17 -0.15 0.00 -2.33 0.00 0.00 43.42 41.43 2awt n LEU 53 CO 0.90 0.19 -0.33 -0.44 -1.33 0.00 0.00 177.39 176.38 2awt s SER 54 N -5.28 3.47 0.06 -1.43 0.01 -1.26 -4.82 113.70 104.45 2awt s SER 54 Ca -0.07 -1.26 -0.01 0.00 1.31 0.00 0.00 55.95 55.93 2awt s SER 54 Cb 0.10 -0.44 -0.26 0.00 0.21 0.00 0.00 66.02 65.62 2awt s SER 54 CO 0.85 -0.42 1.08 0.24 0.41 0.00 0.00 173.24 175.39 2awt h MET 55 N 8.34 0.19 0.00 12.44 2.86 -1.95 -3.38 114.93 133.44 2awt h MET 55 Ca -0.18 -0.33 -0.14 0.00 -2.06 0.00 0.00 59.70 56.98 2awt h MET 55 Cb 1.03 0.12 -0.31 0.00 0.06 0.00 0.00 31.60 32.51 2awt h MET 55 CO 0.42 1.11 -0.92 0.54 1.06 0.00 0.00 176.91 179.12 2awt n ARG 56 N -3.45 0.25 -0.01 1.72 5.12 -1.26 -4.79 116.66 114.24 2awt n ARG 56 Ca -0.09 -2.16 -0.00 0.00 -1.93 0.00 0.00 57.85 53.67 2awt n ARG 56 Cb 1.01 -0.28 -0.03 0.00 -1.16 0.00 0.00 32.46 32.00 2awt n ARG 56 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2awt n GLN 57 N 0.21 1.88 -1.76 5.56 1.13 -1.26 -5.02 117.38 118.11 2awt n GLN 57 Ca 0.08 -0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.70 2awt n GLN 57 Cb 1.05 -1.10 -0.02 0.00 0.11 0.00 0.00 30.24 30.29 2awt n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2awt s ILE 58 N -2.18 2.07 -0.26 5.09 -1.09 -1.21 -4.37 121.20 119.25 2awt s ILE 58 Ca -0.02 0.05 -0.14 0.00 -2.23 0.00 0.00 60.65 58.32 2awt s ILE 58 Cb 0.02 -3.03 0.08 0.00 -1.58 0.00 0.00 42.46 37.95 2awt s ILE 58 CO 0.16 0.01 0.62 -0.13 -1.23 0.00 0.00 174.94 174.37 2awt s ARG 59 N 0.16 0.62 -0.02 2.79 0.52 -0.96 -4.96 118.95 117.10 2awt s ARG 59 Ca 0.68 1.17 -0.27 0.00 -0.52 0.00 0.00 55.73 56.79 2awt s ARG 59 Cb -0.48 0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.15 2awt s ARG 59 CO 0.42 -0.16 0.84 -0.06 0.02 0.00 0.00 175.30 176.35 2awt s PHE 60 N 1.76 3.63 -0.13 -0.53 0.08 -1.26 -1.05 117.98 120.49 2awt s PHE 60 Ca -0.09 1.48 -0.11 0.00 0.12 0.00 0.00 56.93 58.33 2awt s PHE 60 Cb -0.07 -2.95 0.04 0.00 -0.57 0.00 0.00 43.02 39.47 2awt s PHE 60 CO -0.18 0.06 0.34 0.50 -0.10 0.00 0.00 175.22 175.84 2awt s ARG 61 N 0.80 0.39 0.31 0.44 3.52 -0.97 -3.58 118.95 119.85 2awt s ARG 61 Ca 0.44 0.50 0.09 0.00 -0.13 0.00 0.00 55.73 56.64 2awt s ARG 61 Cb -0.20 0.16 -0.05 0.00 -1.56 0.00 0.00 34.95 33.31 2awt s ARG 61 CO 0.23 -0.06 0.01 0.12 -0.81 0.00 0.00 175.30 174.79 2awt s PHE 62 N 0.34 2.62 -1.31 5.12 5.36 -1.20 -0.70 117.98 128.21 2awt s PHE 62 Ca -0.01 -0.33 -0.09 0.00 -0.96 0.00 0.00 56.93 55.54 2awt s PHE 62 Cb -0.03 -1.36 -0.07 0.00 -0.34 0.00 0.00 43.02 41.21 2awt s PHE 62 CO -0.01 0.53 2.56 -3.47 -1.46 0.00 0.00 175.22 173.37 2awt n ASP 63 N -0.94 6.89 0.00 6.13 -0.08 -1.26 -3.04 116.55 124.25 2awt n ASP 63 Ca -0.05 -2.48 0.00 0.00 -1.51 0.00 0.00 54.79 50.76 2awt n ASP 63 Cb 0.61 -1.36 0.00 0.00 2.34 0.00 0.00 41.12 42.71 2awt n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2awt n GLY 64 N 3.69 0.05 3.60 0.27 0.00 -1.26 -5.16 105.19 106.38 2awt n GLY 64 Ca 0.63 -0.03 -0.05 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 -0.61 0.31 1.03 1.61 -2.07 -1.17 -5.18 119.66 113.58 2awt s GLN 65 Ca 0.00 -0.07 -0.13 0.00 -1.82 0.00 0.00 55.36 53.34 2awt s GLN 65 Cb 0.00 0.14 0.21 0.00 -1.09 0.00 0.00 33.01 32.27 2awt s GLN 65 CO 0.00 -0.13 1.09 -1.25 -1.32 0.00 0.00 175.29 173.69 2awt s PRO 66 N -2.10 0.16 -0.01 9.60 0.04 -1.26 -3.22 135.00 138.22 2awt s PRO 66 Ca 0.08 0.44 -0.01 0.00 0.04 0.00 0.00 61.00 61.55 2awt s PRO 66 Cb -0.01 -1.71 -0.00 0.00 0.04 0.00 0.00 34.50 32.82 2awt s PRO 66 CO -0.05 -2.90 0.02 0.42 0.04 0.00 0.00 177.00 174.54 2awt s ILE 67 N -2.96 0.02 0.39 0.56 1.01 -1.24 -4.89 121.20 114.09 2awt s ILE 67 Ca 0.66 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 61.14 2awt s ILE 67 Cb -0.18 -0.08 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 2awt s ILE 67 CO 0.58 -0.07 0.67 0.20 0.00 0.00 0.00 174.94 176.31 2awt s ASN 68 N -0.20 6.34 0.16 3.58 -0.87 -1.26 -4.72 114.94 117.96 2awt s ASN 68 Ca -0.02 0.77 -0.07 0.00 -1.57 0.00 0.00 52.86 51.96 2awt s ASN 68 Cb -0.02 -2.17 0.00 0.00 -0.02 0.00 0.00 41.25 39.04 2awt s ASN 68 CO -0.00 -0.40 1.44 1.05 -2.57 0.00 0.00 177.10 176.62 2awt h GLU 69 N 0.80 0.69 0.00 -0.60 4.11 -2.01 -3.10 114.58 114.47 2awt h GLU 69 Ca -0.48 -0.46 -0.12 0.00 0.07 0.00 0.00 59.36 58.37 2awt h GLU 69 Cb 1.20 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2awt h GLU 69 CO 0.63 1.08 -0.56 0.00 0.07 0.00 0.00 179.01 180.23 2awt h THR 70 N 0.52 1.24 -3.72 -1.06 1.03 -2.02 -3.42 112.91 105.47 2awt h THR 70 Ca -0.00 -2.04 -0.47 0.00 -0.01 0.00 0.00 66.41 63.89 2awt h THR 70 Cb 1.17 2.16 0.19 0.00 -1.07 0.00 0.00 68.15 70.60 2awt h THR 70 CO 0.12 0.55 0.12 -0.62 -0.01 0.00 0.00 175.52 175.68 2awt s ASP 71 N -6.67 2.04 0.21 0.00 -1.08 -1.17 -4.95 116.67 105.06 2awt s ASP 71 Ca -0.00 1.67 0.09 0.00 -0.52 0.00 0.00 52.55 53.78 2awt s ASP 71 Cb 0.11 -2.32 -0.05 0.00 -1.46 0.00 0.00 42.92 39.21 2awt s ASP 71 CO 0.74 -3.57 -0.16 0.42 0.52 0.00 0.00 175.17 173.12 2awt s THR 72 N -2.63 1.90 -1.17 1.71 -4.23 -1.26 -4.69 115.64 105.27 2awt s THR 72 Ca 0.67 -2.21 0.14 0.00 -1.18 0.00 0.00 61.69 59.11 2awt s THR 72 Cb -0.23 -2.07 0.17 0.00 1.34 0.00 0.00 72.50 71.72 2awt s THR 72 CO 0.61 -0.51 1.43 -0.81 -0.54 0.00 0.00 174.62 174.80 2awt n PRO 73 N -0.33 0.08 0.10 3.99 -0.04 -1.26 -2.64 135.00 134.90 2awt n PRO 73 Ca -0.08 0.21 -0.17 0.00 -0.04 0.00 0.00 63.50 63.42 2awt n PRO 73 Cb 0.60 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 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 2.57 0.13 -0.41 0.55 0.00 -1.92 -2.67 119.26 117.50 2awt h ALA 74 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2awt h ALA 74 Cb 0.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2awt h ALA 74 CO 0.00 0.87 0.00 1.04 0.00 0.00 0.00 179.25 181.16 2awt n GLN 75 N -3.64 1.99 -0.00 0.00 6.02 -1.08 -3.73 117.38 116.94 2awt n GLN 75 Ca -0.09 -1.53 0.01 0.00 -0.01 0.00 0.00 57.00 55.37 2awt n GLN 75 Cb 0.98 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 30.89 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 0.74 0.04 -2.98 1.08 7.99 -1.21 -5.02 117.00 117.64 2awt n LEU 76 Ca 0.15 -0.25 -0.19 0.00 -0.01 0.00 0.00 56.01 55.71 2awt n LEU 76 Cb 0.36 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.74 2awt n LEU 76 CO 0.10 0.01 0.19 -0.62 -1.51 0.00 0.00 177.39 175.56 2awt n GLU 77 N -1.30 -6.31 -2.98 3.23 1.02 -1.02 -4.94 120.64 108.33 2awt n GLU 77 Ca -0.00 0.67 -0.40 0.00 -0.02 0.00 0.00 57.16 57.41 2awt n GLU 77 Cb 0.04 -5.22 -0.00 0.00 -0.02 0.00 0.00 31.44 26.24 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 -4.06 4.39 -1.47 3.49 2.81 -1.11 -4.98 117.12 116.18 2awt n MET 78 Ca -0.02 -4.61 0.00 0.00 -1.81 0.00 0.00 57.70 51.26 2awt n MET 78 Cb 0.56 -2.46 0.00 0.00 -0.71 0.00 0.00 33.22 30.61 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 0.93 1.47 -3.22 0.03 1.02 -1.26 -4.63 120.64 114.98 2awt n GLU 79 Ca 0.31 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.29 2awt n GLU 79 Cb 0.33 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.82 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 -1.35 -3.20 -2.91 1.62 -0.08 -1.26 -3.05 116.55 106.32 2awt n ASP 80 Ca 0.00 -0.47 -0.16 0.00 -1.51 0.00 0.00 54.79 52.65 2awt n ASP 80 Cb 0.00 -4.16 0.07 0.00 2.34 0.00 0.00 41.12 39.37 2awt n ASP 80 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2awt n GLU 81 N -3.70 -5.71 -2.63 -0.67 1.02 -1.19 -4.98 120.64 102.79 2awt n GLU 81 Ca -0.15 0.66 -0.40 0.00 -0.02 0.00 0.00 57.16 57.24 2awt n GLU 81 Cb 0.61 -5.14 -0.05 0.00 -0.02 0.00 0.00 31.44 26.83 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 -3.66 7.48 -0.43 1.62 -1.08 -1.17 -4.81 116.67 114.63 2awt s ASP 82 Ca 0.23 2.07 -0.08 0.00 -0.52 0.00 0.00 52.55 54.25 2awt s ASP 82 Cb -0.10 -2.62 0.09 0.00 -1.46 0.00 0.00 42.92 38.83 2awt s ASP 82 CO 0.57 0.02 0.26 -0.89 0.52 0.00 0.00 175.17 175.65 2awt s THR 83 N -1.09 4.08 -0.25 1.71 2.01 -1.26 -0.09 115.64 120.75 2awt s THR 83 Ca 0.43 -1.56 -0.18 0.00 0.31 0.00 0.00 61.69 60.69 2awt s THR 83 Cb -0.28 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2awt s THR 83 CO 0.36 -0.57 0.54 -0.63 -0.69 0.00 0.00 174.62 173.62 2awt s ILE 84 N 1.37 5.06 -0.30 1.82 1.01 -0.46 -4.88 121.20 124.82 2awt s ILE 84 Ca 0.04 0.95 -0.28 0.00 0.00 0.00 0.00 60.65 61.35 2awt s ILE 84 Cb -0.24 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 2awt s ILE 84 CO 0.01 0.09 2.05 -1.81 0.00 0.00 0.00 174.94 175.28 2awt s ASP 85 N 1.45 5.54 0.21 3.58 1.11 0.13 -3.35 116.67 125.33 2awt s ASP 85 Ca 0.23 1.52 -0.21 0.00 0.18 0.00 0.00 52.55 54.26 2awt s ASP 85 Cb -0.16 -2.52 -0.08 0.00 1.07 0.00 0.00 42.92 41.24 2awt s ASP 85 CO 0.09 -1.96 0.75 0.54 1.18 0.00 0.00 175.17 175.77 2awt s VAL 86 N 8.10 4.50 -0.41 -1.27 0.11 -1.18 -2.29 120.40 127.97 2awt s VAL 86 Ca 0.90 1.42 -0.08 0.00 -2.93 0.00 0.00 61.98 61.29 2awt s VAL 86 Cb -0.26 -3.93 0.08 0.00 -1.53 0.00 0.00 36.38 30.73 2awt s VAL 86 CO 0.33 0.29 0.23 0.12 -3.33 0.00 0.00 175.10 172.74 2awt s PHE 87 N -1.43 3.37 -0.53 1.54 5.36 -0.21 -3.78 117.98 122.30 2awt s PHE 87 Ca 0.41 -1.70 0.04 0.00 -0.96 0.00 0.00 56.93 54.72 2awt s PHE 87 Cb -0.18 -2.95 0.15 0.00 -0.34 0.00 0.00 43.02 39.70 2awt s PHE 87 CO 0.22 -0.87 0.32 1.14 -1.46 0.00 0.00 175.22 174.58 2awt s GLN 88 N 1.37 1.80 0.08 10.12 -2.07 -1.26 -2.28 119.66 127.42 2awt s GLN 88 Ca 0.03 -2.58 -0.30 0.00 -1.82 0.00 0.00 55.36 50.70 2awt s GLN 88 Cb -0.23 -2.88 -0.05 0.00 -1.09 0.00 0.00 33.01 28.76 2awt s GLN 88 CO 0.01 -1.19 0.96 -1.14 -1.32 0.00 0.00 175.29 172.60 2awt s GLN 89 N -0.36 4.65 0.27 9.60 -0.44 -1.26 -4.99 119.66 127.12 2awt s GLN 89 Ca 0.21 1.43 0.11 0.00 -2.50 0.00 0.00 55.36 54.61 2awt s GLN 89 Cb -0.17 -3.40 -0.05 0.00 -1.64 0.00 0.00 33.01 27.75 2awt s GLN 89 CO -0.06 0.14 -0.19 1.14 0.50 0.00 0.00 175.29 176.83 2awt s GLN 90 N 0.27 1.62 -0.10 1.67 1.03 -1.26 -4.80 119.66 118.09 2awt s GLN 90 Ca 0.48 -1.74 0.18 0.00 0.04 0.00 0.00 55.36 54.32 2awt s GLN 90 Cb -0.23 -1.66 -0.27 0.00 0.03 0.00 0.00 33.01 30.89 2awt s GLN 90 CO 0.29 0.30 0.26 2.41 -2.54 0.00 0.00 175.29 176.01 2awt n THR 91 N -0.58 0.60 -1.72 3.63 -1.04 -1.26 -4.65 114.28 109.26 2awt n THR 91 Ca -0.06 -0.61 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 2awt n THR 91 Cb 0.60 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 2awt n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2awt n GLY 92 N 1.61 -0.38 0.00 3.41 0.00 -1.26 -5.09 105.19 103.48 2awt n GLY 92 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2awt n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2awt n GLY 93 N 0.00 1.77 3.61 -0.02 0.00 -1.26 -5.16 105.19 104.12 2awt n GLY 93 Ca 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 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 4.77 0.00 -2.00 1.61 -7.23 -1.26 -5.04 120.40 111.25 2awt s VAL 94 Ca 0.00 -1.38 0.32 0.00 -1.81 0.00 0.00 61.98 59.11 2awt s VAL 94 Cb 0.00 -2.70 0.91 0.00 0.56 0.00 0.00 36.38 35.15 2awt s VAL 94 CO 0.00 0.00 2.23 0.00 -0.31 0.00 0.00 175.10 177.02