#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctt s SER 2 N 0.00 0.03 0.15 1.61 0.01 -1.26 -5.18 113.70 109.06 2ctt s SER 2 Ca 0.00 -1.13 -0.24 0.00 1.31 0.00 0.00 55.95 55.89 2ctt s SER 2 Cb 0.00 0.48 0.06 0.00 0.21 0.00 0.00 66.02 66.77 2ctt s SER 2 CO 0.00 -0.98 0.73 -0.44 0.41 0.00 0.00 173.24 172.96 2ctt s SER 3 N -3.07 -0.41 0.07 2.44 0.01 -1.26 -5.19 113.70 106.29 2ctt s SER 3 Ca 0.29 -0.19 -0.17 0.00 1.31 0.00 0.00 55.95 57.20 2ctt s SER 3 Cb 0.03 0.57 0.03 0.00 0.21 0.00 0.00 66.02 66.87 2ctt s SER 3 CO 0.09 -0.98 0.39 -0.83 0.41 0.00 0.00 173.24 172.33 2ctt s GLY 4 N -2.76 -0.25 0.15 3.44 0.00 -1.26 -5.18 107.32 101.47 2ctt s GLY 4 Ca 0.05 0.15 -0.19 0.00 0.00 0.00 0.00 44.72 44.73 2ctt s GLY 4 CO -0.06 -0.10 0.50 -0.56 0.00 0.00 0.00 173.10 172.88 2ctt s SER 5 N -2.26 -0.40 -0.14 1.64 0.01 -1.26 -5.18 113.70 106.12 2ctt s SER 5 Ca -0.03 -0.17 -0.29 0.00 1.31 0.00 0.00 55.95 56.77 2ctt s SER 5 Cb 0.00 0.54 0.09 0.00 0.21 0.00 0.00 66.02 66.86 2ctt s SER 5 CO -0.05 -0.92 0.81 -0.55 0.41 0.00 0.00 173.24 172.94 2ctt s SER 6 N -2.78 -0.57 0.16 2.44 0.15 -1.26 -5.19 113.70 106.66 2ctt s SER 6 Ca 0.02 0.74 -0.14 0.00 0.70 0.00 0.00 55.95 57.27 2ctt s SER 6 Cb 0.00 0.63 0.02 0.00 -1.71 0.00 0.00 66.02 64.97 2ctt s SER 6 CO -0.12 -0.44 0.41 -0.83 1.20 0.00 0.00 173.24 173.46 2ctt s GLY 7 N -0.81 -0.00 0.30 9.45 0.00 -1.26 -5.18 107.32 109.82 2ctt s GLY 7 Ca -0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 44.72 44.31 2ctt s GLY 7 CO 0.05 -0.45 0.35 1.06 0.00 0.00 0.00 173.10 174.11 2ctt s MET 8 N -3.87 1.69 0.07 2.90 1.00 -1.26 -5.18 119.30 114.64 2ctt s MET 8 Ca 0.09 -1.75 -0.17 0.00 0.00 0.00 0.00 55.69 53.86 2ctt s MET 8 Cb 0.01 0.38 0.03 0.00 0.00 0.00 0.00 34.83 35.26 2ctt s MET 8 CO -0.06 -0.66 0.39 -1.21 0.00 0.00 0.00 175.02 173.49 2ctt s GLU 9 N -3.49 0.96 0.27 2.03 2.02 -1.26 -5.18 118.70 114.05 2ctt s GLU 9 Ca 0.34 -0.51 -0.02 0.00 0.02 0.00 0.00 54.97 54.80 2ctt s GLU 9 Cb 0.02 0.42 -0.02 0.00 0.10 0.00 0.00 34.13 34.65 2ctt s GLU 9 CO 0.19 -0.34 0.31 -0.51 0.02 0.00 0.00 175.26 174.93 2ctt s LEU 10 N -2.30 1.08 0.31 1.80 1.02 -1.26 -5.19 118.68 114.14 2ctt s LEU 10 Ca -0.02 -1.40 -0.04 0.00 0.02 0.00 0.00 54.13 52.69 2ctt s LEU 10 Cb 0.00 0.95 -0.00 0.00 0.02 0.00 0.00 46.19 47.16 2ctt s LEU 10 CO -0.06 -1.06 0.44 0.42 0.02 0.00 0.00 176.35 176.11 2ctt s THR 11 N -3.72 0.00 -0.05 5.49 -4.23 -1.26 -5.18 115.64 106.69 2ctt s THR 11 Ca 0.34 -1.62 -0.22 0.00 -1.18 0.00 0.00 61.69 59.01 2ctt s THR 11 Cb 0.03 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.37 2ctt s THR 11 CO 0.17 0.00 0.49 0.12 -0.54 0.00 0.00 174.62 174.86 2ctt s PHE 12 N -3.34 -0.43 0.30 3.99 5.36 -1.26 -5.18 117.98 117.42 2ctt s PHE 12 Ca 0.30 0.78 0.03 0.00 -0.96 0.00 0.00 56.93 57.08 2ctt s PHE 12 Cb 0.00 0.24 -0.06 0.00 -0.34 0.00 0.00 43.02 42.87 2ctt s PHE 12 CO 0.18 -0.47 0.06 -0.80 -1.46 0.00 0.00 175.22 172.73 2ctt s ASN 13 N -1.07 2.03 0.12 6.13 0.01 -1.26 -5.17 114.94 115.74 2ctt s ASN 13 Ca -0.11 -1.37 0.01 0.00 -0.71 0.00 0.00 52.86 50.68 2ctt s ASN 13 Cb -0.03 -0.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.57 2ctt s ASN 13 CO 0.06 -0.63 -0.01 0.00 -1.51 0.00 0.00 177.10 175.01 2ctt s GLN 14 N -3.93 0.92 0.22 -0.60 -2.07 -1.26 -5.17 119.66 107.77 2ctt s GLN 14 Ca 0.36 -1.41 -0.21 0.00 -1.82 0.00 0.00 55.36 52.28 2ctt s GLN 14 Cb 0.08 -0.07 0.07 0.00 -1.09 0.00 0.00 33.01 32.00 2ctt s GLN 14 CO 0.15 -0.12 0.98 0.00 -1.32 0.00 0.00 175.29 174.97 2ctt s ALA 15 N -3.77 -1.44 -0.30 2.60 0.00 -1.26 -5.17 121.76 112.42 2ctt s ALA 15 Ca 0.18 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.64 2ctt s ALA 15 Cb 0.06 0.73 0.18 0.00 0.00 0.00 0.00 23.12 24.09 2ctt s ALA 15 CO -0.01 -1.05 1.13 0.00 0.00 0.00 0.00 175.76 175.83 2ctt s ALA 16 N -2.39 -3.28 -0.28 0.00 0.00 -1.26 -5.17 121.76 109.37 2ctt s ALA 16 Ca 0.19 1.67 -0.22 0.00 0.00 0.00 0.00 51.96 53.60 2ctt s ALA 16 Cb -0.03 -2.35 0.13 0.00 0.00 0.00 0.00 23.12 20.87 2ctt s ALA 16 CO 0.06 -1.20 1.00 0.21 0.00 0.00 0.00 175.76 175.83 2ctt s LYS 17 N 2.57 0.47 0.31 0.00 2.47 -1.26 -5.19 119.74 119.11 2ctt s LYS 17 Ca -0.02 0.65 -0.08 0.00 -1.56 0.00 0.00 55.97 54.96 2ctt s LYS 17 Cb -0.06 0.18 0.01 0.00 -1.46 0.00 0.00 37.83 36.50 2ctt s LYS 17 CO -0.14 -0.07 0.51 0.20 0.16 0.00 0.00 175.35 176.02 2ctt s GLY 18 N 0.66 0.99 0.07 5.54 0.00 -1.26 -5.16 107.32 108.17 2ctt s GLY 18 Ca -0.01 -1.19 -0.09 0.00 0.00 0.00 0.00 44.72 43.43 2ctt s GLY 18 CO -0.10 -0.78 0.38 0.54 0.00 0.00 0.00 173.10 173.14 2ctt s VAL 19 N -3.32 5.13 -0.05 1.40 0.11 -1.26 -5.09 120.40 117.32 2ctt s VAL 19 Ca 0.26 0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 59.67 2ctt s VAL 19 Cb -0.01 -3.63 0.03 0.00 -1.53 0.00 0.00 36.38 31.24 2ctt s VAL 19 CO 0.15 0.28 0.01 0.54 -3.33 0.00 0.00 175.10 172.75 2ctt s ASN 20 N -1.80 1.11 -0.30 3.54 2.20 -1.26 -5.11 114.94 113.33 2ctt s ASN 20 Ca 0.33 -0.03 -0.16 0.00 -0.94 0.00 0.00 52.86 52.06 2ctt s ASN 20 Cb -0.14 -0.30 0.18 0.00 -2.00 0.00 0.00 41.25 38.99 2ctt s ASN 20 CO 0.18 -0.17 1.12 -0.75 -2.94 0.00 0.00 177.10 174.54 2ctt s LYS 21 N 1.70 0.15 0.02 3.55 2.20 -1.26 -5.07 119.74 121.03 2ctt s LYS 21 Ca -0.00 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2ctt s LYS 21 Cb -0.13 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 2ctt s LYS 21 CO -0.03 -0.12 0.00 -0.85 -0.36 0.00 0.00 175.35 173.99 2ctt n GLU 22 N 5.19 0.00 -3.89 4.03 0.28 -1.26 -5.16 120.64 119.83 2ctt n GLU 22 Ca -0.08 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.94 2ctt n GLU 22 Cb 0.54 -0.34 0.01 0.00 1.43 0.00 0.00 31.44 33.09 2ctt n GLU 22 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2ctt s PHE 23 N -2.00 0.02 -0.22 -1.84 -0.71 -1.26 -5.14 117.98 106.83 2ctt s PHE 23 Ca 0.00 -0.18 -0.20 0.00 -1.04 0.00 0.00 56.93 55.51 2ctt s PHE 23 Cb 0.00 0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 42.37 2ctt s PHE 23 CO 0.00 -0.39 0.59 0.95 -1.34 0.00 0.00 175.22 175.03 2ctt s THR 24 N -2.15 5.04 0.16 -4.49 -4.23 -1.26 -5.04 115.64 103.67 2ctt s THR 24 Ca 0.25 1.08 -0.12 0.00 -1.18 0.00 0.00 61.69 61.71 2ctt s THR 24 Cb 0.00 -3.90 0.01 0.00 1.34 0.00 0.00 72.50 69.95 2ctt s THR 24 CO -0.00 0.10 0.35 0.54 -0.54 0.00 0.00 174.62 175.07 2ctt s VAL 25 N 2.03 0.07 -0.79 2.29 0.11 -1.26 -5.08 120.40 117.77 2ctt s VAL 25 Ca 0.26 -1.09 -0.25 0.00 -2.93 0.00 0.00 61.98 57.96 2ctt s VAL 25 Cb -0.16 -1.62 -0.09 0.00 -1.53 0.00 0.00 36.38 32.99 2ctt s VAL 25 CO 0.10 -0.30 2.20 0.20 -3.33 0.00 0.00 175.10 173.96 2ctt s ASN 26 N -2.91 4.51 -0.07 3.54 0.01 -1.26 -4.88 114.94 113.89 2ctt s ASN 26 Ca 0.11 -0.10 -0.03 0.00 -0.71 0.00 0.00 52.86 52.13 2ctt s ASN 26 Cb 0.02 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 39.18 2ctt s ASN 26 CO -0.04 -3.25 0.13 -0.63 -1.51 0.00 0.00 177.10 171.80 2ctt s ILE 27 N 12.38 -0.19 -0.24 0.60 1.01 -1.26 -5.09 121.20 128.41 2ctt s ILE 27 Ca 0.83 0.35 -0.03 0.00 0.00 0.00 0.00 60.65 61.79 2ctt s ILE 27 Cb -0.11 -0.24 0.10 0.00 0.01 0.00 0.00 42.46 42.22 2ctt s ILE 27 CO 0.07 0.14 0.21 -0.04 0.00 0.00 0.00 174.94 175.33 2ctt s MET 28 N 2.06 0.22 0.29 2.79 -1.94 -1.26 -4.10 119.30 117.36 2ctt s MET 28 Ca 0.01 -0.08 0.06 0.00 -1.71 0.00 0.00 55.69 53.97 2ctt s MET 28 Cb -0.12 -1.10 -0.06 0.00 2.01 0.00 0.00 34.83 35.56 2ctt s MET 28 CO -0.05 -0.84 -0.02 -0.51 -0.01 0.00 0.00 175.02 173.59 2ctt s ASP 29 N 2.27 2.60 0.15 3.03 1.01 0.18 -4.83 116.67 121.08 2ctt s ASP 29 Ca 0.08 -1.24 -0.32 0.00 0.71 0.00 0.00 52.55 51.77 2ctt s ASP 29 Cb -0.15 -0.14 -0.17 0.00 1.01 0.00 0.00 42.92 43.47 2ctt s ASP 29 CO -0.23 -0.43 0.88 0.41 0.21 0.00 0.00 175.17 176.01 2ctt n THR 30 N -0.60 1.19 -0.67 -1.27 -1.04 -1.26 -0.16 114.28 110.48 2ctt n THR 30 Ca -0.05 -0.30 -0.31 0.00 -2.04 0.00 0.00 64.05 61.35 2ctt n THR 30 Cb 0.64 -0.32 0.17 0.00 -1.82 0.00 0.00 70.33 69.01 2ctt n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ctt n GLU 32 N -2.94 1.35 -0.25 0.00 1.02 -1.26 -3.41 120.64 115.14 2ctt n GLU 32 Ca 0.05 0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.20 2ctt n GLU 32 Cb 0.56 -1.03 0.23 0.00 -0.02 0.00 0.00 31.44 31.18 2ctt n GLU 32 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2ctt h ARG 33 N 0.00 1.03 -0.00 3.49 2.43 -1.95 -3.04 114.38 116.34 2ctt h ARG 33 Ca -0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2ctt h ARG 33 Cb 1.06 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2ctt h ARG 33 CO -0.00 0.68 -0.27 0.00 -1.51 0.00 0.00 179.97 178.87 2ctt n ASN 35 N -1.04 -3.39 -2.64 0.00 3.02 -1.15 -2.57 115.26 107.49 2ctt n ASN 35 Ca 0.01 -0.51 -0.19 0.00 -0.03 0.00 0.00 54.58 53.86 2ctt n ASN 35 Cb 0.10 -4.46 0.03 0.00 -0.61 0.00 0.00 39.78 34.84 2ctt n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ctt n GLY 36 N -1.36 -0.36 0.39 7.41 0.00 -1.22 -4.90 105.19 105.15 2ctt n GLY 36 Ca -0.16 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 2ctt n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ctt n LYS 37 N -3.59 0.40 0.00 1.61 4.76 -1.06 -4.83 118.16 115.44 2ctt n LYS 37 Ca -0.10 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2ctt n LYS 37 Cb 0.61 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.62 2ctt n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctt n GLY 38 N 1.89 1.79 3.24 0.72 0.00 -1.26 -4.88 105.19 106.70 2ctt n GLY 38 Ca -0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 2ctt n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ctt s ASN 39 N -2.00 -0.16 0.38 1.61 2.47 -1.26 -3.67 114.94 112.32 2ctt s ASN 39 Ca 0.00 -0.02 -0.27 0.00 0.42 0.00 0.00 52.86 52.99 2ctt s ASN 39 Cb 0.00 0.32 -0.10 0.00 -1.45 0.00 0.00 41.25 40.02 2ctt s ASN 39 CO 0.00 -0.50 1.39 -1.61 -3.72 0.00 0.00 177.10 172.65 2ctt s GLU 40 N -1.75 4.07 0.00 0.43 0.41 -1.20 -4.26 118.70 116.40 2ctt s GLU 40 Ca -0.11 2.36 0.00 0.00 -0.41 0.00 0.00 54.97 56.81 2ctt s GLU 40 Cb -0.04 -2.90 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 2ctt s GLU 40 CO 0.02 -0.48 0.48 -0.35 -0.49 0.00 0.00 175.26 174.43 2ctt n PRO 41 N 0.36 0.49 -0.92 0.39 -0.04 -1.24 -2.42 135.00 131.63 2ctt n PRO 41 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2ctt n PRO 41 Cb 0.41 -1.01 -0.00 0.00 -0.04 0.00 0.00 33.50 32.86 2ctt n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ctt n GLY 42 N 0.00 0.75 3.70 0.55 0.00 -1.26 -5.11 105.19 103.82 2ctt n GLY 42 Ca 0.00 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 2ctt n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ctt s THR 43 N 0.00 2.40 0.60 2.61 -4.23 -1.01 -5.15 115.64 110.86 2ctt s THR 43 Ca 0.12 -1.79 -0.02 0.00 -1.18 0.00 0.00 61.69 58.82 2ctt s THR 43 Cb 0.13 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 71.06 2ctt s THR 43 CO -0.06 -0.06 0.86 -0.54 -0.54 0.00 0.00 174.62 174.28 2ctt s LYS 44 N -3.84 2.45 -0.01 3.99 3.01 -1.26 -4.94 119.74 119.14 2ctt s LYS 44 Ca 0.39 -0.56 -0.08 0.00 -1.01 0.00 0.00 55.97 54.71 2ctt s LYS 44 Cb 0.03 -2.37 0.01 0.00 -1.01 0.00 0.00 37.83 34.49 2ctt s LYS 44 CO 0.21 -0.89 0.16 0.08 0.51 0.00 0.00 175.35 175.43 2ctt s VAL 45 N -2.94 0.07 -0.14 3.17 1.01 -1.26 -4.13 120.40 116.18 2ctt s VAL 45 Ca 0.58 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2ctt s VAL 45 Cb -0.10 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 2ctt s VAL 45 CO 0.41 -0.31 -0.05 -1.10 0.00 0.00 0.00 175.10 174.05 2ctt s GLN 46 N -1.15 3.52 -0.09 2.72 -0.21 -0.85 -4.96 119.66 118.64 2ctt s GLN 46 Ca -0.12 -0.54 -0.29 0.00 0.02 0.00 0.00 55.36 54.42 2ctt s GLN 46 Cb -0.06 -2.84 -0.05 0.00 1.00 0.00 0.00 33.01 31.06 2ctt s GLN 46 CO 0.02 0.29 1.63 -1.58 -2.12 0.00 0.00 175.29 173.53 2ctt s HIS 47 N 0.20 2.04 -0.01 0.91 5.65 -1.26 -0.11 115.29 122.72 2ctt s HIS 47 Ca -0.03 0.31 -0.30 0.00 0.25 0.00 0.00 55.06 55.29 2ctt s HIS 47 Cb -0.14 -3.90 -0.03 0.00 -1.18 0.00 0.00 32.58 27.33 2ctt s HIS 47 CO 0.03 -3.57 1.07 0.00 -0.65 0.00 0.00 174.74 171.62 2ctt h HIS 49 N 6.95 0.71 -0.70 0.00 6.17 -1.93 -1.33 115.15 125.02 2ctt h HIS 49 Ca -0.38 -0.52 0.06 0.00 0.71 0.00 0.00 60.37 60.24 2ctt h HIS 49 Cb 1.20 -0.03 -0.08 0.00 2.52 0.00 0.00 27.41 31.01 2ctt h HIS 49 CO 0.69 1.62 -0.42 0.66 0.71 0.00 0.00 177.93 181.20 2ctt n TYR 50 N -3.70 -0.31 -0.10 5.26 4.02 -1.26 -2.45 117.16 118.62 2ctt n TYR 50 Ca -0.23 0.88 -0.17 0.00 -0.01 0.00 0.00 57.90 58.37 2ctt n TYR 50 Cb 1.04 -0.55 -0.13 0.00 -0.02 0.00 0.00 39.34 39.67 2ctt n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ctt n GLY 52 N 2.10 0.70 0.00 0.00 0.00 -0.50 -4.01 105.19 103.49 2ctt n GLY 52 Ca -0.40 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2ctt n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctt n GLY 53 N -2.53 1.25 0.04 -0.02 0.00 -1.22 -4.96 105.19 97.75 2ctt n GLY 53 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2ctt n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctt n SER 54 N 0.00 1.24 -0.06 1.61 2.88 -1.26 -4.74 113.62 113.30 2ctt n SER 54 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2ctt n SER 54 Cb 0.00 1.33 -0.00 0.00 -0.75 0.00 0.00 64.21 64.79 2ctt n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctt n GLY 55 N 1.80 0.36 2.86 0.46 0.00 -1.26 -4.88 105.19 104.53 2ctt n GLY 55 Ca -0.13 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 2ctt n GLY 55 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ctt s MET 56 N -3.78 0.02 0.03 1.61 -2.45 -1.26 -3.49 119.30 109.97 2ctt s MET 56 Ca 0.00 0.02 0.01 0.00 -1.25 0.00 0.00 55.69 54.47 2ctt s MET 56 Cb 0.00 -0.06 -0.04 0.00 1.25 0.00 0.00 34.83 35.98 2ctt s MET 56 CO 0.00 -0.02 0.05 -2.00 1.05 0.00 0.00 175.02 174.11 2ctt s GLU 57 N 0.15 2.90 -0.17 4.11 2.56 0.17 -3.92 118.70 124.51 2ctt s GLU 57 Ca -0.01 -0.60 -0.03 0.00 0.00 0.00 0.00 54.97 54.33 2ctt s GLU 57 Cb -0.02 -2.75 -0.02 0.00 2.00 0.00 0.00 34.13 33.34 2ctt s GLU 57 CO -0.00 0.61 -0.07 0.99 -0.56 0.00 0.00 175.26 176.23 2ctt s THR 58 N -1.23 3.47 -0.44 -1.70 2.01 -1.26 -2.30 115.64 114.18 2ctt s THR 58 Ca 0.24 -0.49 -0.10 0.00 0.31 0.00 0.00 61.69 61.64 2ctt s THR 58 Cb -0.12 -2.52 0.09 0.00 0.01 0.00 0.00 72.50 69.96 2ctt s THR 58 CO 0.16 0.48 0.31 -0.63 -0.69 0.00 0.00 174.62 174.25 2ctt s ILE 59 N 0.68 4.43 -0.71 1.82 1.09 -1.00 -4.98 121.20 122.53 2ctt s ILE 59 Ca -0.04 -1.43 -0.27 0.00 -1.10 0.00 0.00 60.65 57.81 2ctt s ILE 59 Cb -0.15 -3.75 0.03 0.00 -1.06 0.00 0.00 42.46 37.53 2ctt s ILE 59 CO 0.02 -0.59 1.26 0.20 -0.10 0.00 0.00 174.94 175.73 2ctt s ASN 60 N 2.38 6.21 -0.18 3.58 -0.87 -1.26 -1.45 114.94 123.35 2ctt s ASN 60 Ca 0.04 -0.35 -0.01 0.00 -1.57 0.00 0.00 52.86 50.96 2ctt s ASN 60 Cb -0.24 -2.56 0.05 0.00 -0.02 0.00 0.00 41.25 38.48 2ctt s ASN 60 CO 0.02 -1.78 -0.01 0.28 -2.57 0.00 0.00 177.10 173.05 2ctt s THR 61 N 5.60 0.87 0.00 1.60 -1.32 -1.07 -5.04 115.64 116.27 2ctt s THR 61 Ca 0.36 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 2ctt s THR 61 Cb -0.08 -1.21 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 2ctt s THR 61 CO 0.17 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.13 2ctt n GLY 62 N 4.94 0.75 0.00 6.08 0.00 -1.26 -2.77 105.19 112.93 2ctt n GLY 62 Ca -0.10 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.21 2ctt n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctt n PRO 63 N 0.00 0.18 -4.60 1.61 -0.04 -1.26 -4.75 135.00 126.15 2ctt n PRO 63 Ca 0.00 0.16 -0.29 0.00 -0.04 0.00 0.00 63.50 63.33 2ctt n PRO 63 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2ctt n PRO 63 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ctt s PHE 64 N -2.62 2.30 -0.04 0.54 -0.71 -1.11 -5.16 117.98 111.18 2ctt s PHE 64 Ca 0.13 -0.76 -0.03 0.00 -1.04 0.00 0.00 56.93 55.23 2ctt s PHE 64 Cb 0.10 -1.75 0.01 0.00 -1.21 0.00 0.00 43.02 40.17 2ctt s PHE 64 CO 0.23 0.33 0.09 0.08 -1.34 0.00 0.00 175.22 174.61 2ctt s VAL 65 N -2.75 -0.01 0.51 -2.49 1.01 -1.26 -2.60 120.40 112.81 2ctt s VAL 65 Ca 0.26 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.32 2ctt s VAL 65 Cb 0.06 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.35 2ctt s VAL 65 CO 0.14 0.01 0.71 -0.04 0.00 0.00 0.00 175.10 175.91 2ctt s MET 66 N 0.17 2.54 -0.13 2.72 1.00 -0.53 -4.94 119.30 120.14 2ctt s MET 66 Ca -0.01 -1.17 -0.04 0.00 0.00 0.00 0.00 55.69 54.47 2ctt s MET 66 Cb -0.02 -2.62 0.05 0.00 0.00 0.00 0.00 34.83 32.24 2ctt s MET 66 CO -0.00 -0.62 0.11 1.03 0.00 0.00 0.00 175.02 175.54 2ctt s ARG 67 N -4.60 0.03 0.02 2.03 1.81 -1.26 -2.37 118.95 114.61 2ctt s ARG 67 Ca 0.58 0.16 0.01 0.00 -1.72 0.00 0.00 55.73 54.76 2ctt s ARG 67 Cb -0.09 -1.21 -0.01 0.00 -0.45 0.00 0.00 34.95 33.19 2ctt s ARG 67 CO 0.37 -0.53 -0.04 0.45 -0.68 0.00 0.00 175.30 174.86 2ctt s SER 68 N 2.19 0.46 0.18 0.23 0.15 -0.97 -5.00 113.70 110.94 2ctt s SER 68 Ca 0.04 -0.30 -0.31 0.00 0.70 0.00 0.00 55.95 56.08 2ctt s SER 68 Cb -0.14 0.02 -0.17 0.00 -1.71 0.00 0.00 66.02 64.02 2ctt s SER 68 CO -0.07 -0.11 0.82 0.41 1.20 0.00 0.00 173.24 175.48 2ctt n THR 69 N 2.23 1.47 -0.84 6.45 -1.04 -1.26 -0.66 114.28 120.62 2ctt n THR 69 Ca -0.18 -0.37 -0.34 0.00 -2.04 0.00 0.00 64.05 61.13 2ctt n THR 69 Cb 0.57 -0.33 0.10 0.00 -1.82 0.00 0.00 70.33 68.85 2ctt n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ctt n ARG 71 N -0.70 2.59 -0.03 0.00 1.74 -1.26 -3.80 116.66 115.19 2ctt n ARG 71 Ca 0.04 0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 57.00 2ctt n ARG 71 Cb 0.55 -1.09 -0.08 0.00 -1.02 0.00 0.00 32.46 30.81 2ctt n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ctt h ARG 72 N 0.00 0.18 0.05 5.56 2.47 -2.00 -3.36 114.38 117.27 2ctt h ARG 72 Ca -0.09 -0.09 -0.37 0.00 -1.26 0.00 0.00 59.98 58.17 2ctt h ARG 72 Cb 1.20 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.47 2ctt h ARG 72 CO -0.00 0.60 -2.13 0.00 0.56 0.00 0.00 179.97 179.00 2ctt n GLY 74 N 1.90 1.60 1.67 0.00 0.00 -1.25 -4.46 105.19 104.65 2ctt n GLY 74 Ca -0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 2ctt n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctt n GLY 75 N -0.79 0.79 0.15 -0.02 0.00 -1.26 -4.87 105.19 99.19 2ctt n GLY 75 Ca 0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 46.02 45.34 2ctt n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ctt n ARG 76 N -0.77 0.02 0.00 1.61 0.63 -1.26 -4.78 116.66 112.11 2ctt n ARG 76 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2ctt n ARG 76 Cb 0.50 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 32.48 2ctt n ARG 76 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ctt n GLY 77 N 3.39 1.57 3.49 5.14 0.00 -1.26 -4.71 105.19 112.81 2ctt n GLY 77 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2ctt n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctt s SER 78 N -1.90 -0.29 -0.22 1.61 0.01 -1.26 -2.71 113.70 108.93 2ctt s SER 78 Ca 0.00 -0.40 -0.15 0.00 1.31 0.00 0.00 55.95 56.71 2ctt s SER 78 Cb 0.00 0.57 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 2ctt s SER 78 CO 0.00 -1.02 0.34 -0.63 0.41 0.00 0.00 173.24 172.34 2ctt s ILE 79 N -3.85 5.23 -0.36 1.44 1.09 0.85 -4.69 121.20 120.91 2ctt s ILE 79 Ca 0.07 0.58 -0.23 0.00 -1.10 0.00 0.00 60.65 59.97 2ctt s ILE 79 Cb -0.01 -3.68 0.01 0.00 -1.06 0.00 0.00 42.46 37.73 2ctt s ILE 79 CO -0.05 0.26 0.77 -0.63 -0.10 0.00 0.00 174.94 175.19 2ctt s ILE 80 N 1.35 4.75 0.22 2.92 1.01 -1.26 -2.02 121.20 128.17 2ctt s ILE 80 Ca 0.16 0.85 0.01 0.00 0.00 0.00 0.00 60.65 61.68 2ctt s ILE 80 Cb -0.15 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 2ctt s ILE 80 CO 0.07 -0.42 1.54 0.40 0.00 0.00 0.00 174.94 176.53 2ctt h ILE 81 N 5.74 1.36 -3.50 2.92 5.03 -1.96 -3.41 117.51 123.68 2ctt h ILE 81 Ca -0.25 -1.90 -0.58 0.00 -0.12 0.00 0.00 64.86 62.01 2ctt h ILE 81 Cb 1.10 1.91 -0.39 0.00 -3.03 0.00 0.00 36.82 36.41 2ctt h ILE 81 CO 0.90 0.57 -0.78 -0.44 -0.68 0.00 0.00 178.15 177.73 2ctt s SER 82 N -6.91 3.53 0.25 1.72 0.01 -1.26 -5.12 113.70 105.91 2ctt s SER 82 Ca -0.05 -1.06 -0.30 0.00 1.31 0.00 0.00 55.95 55.85 2ctt s SER 82 Cb 0.12 -0.97 -0.09 0.00 0.21 0.00 0.00 66.02 65.28 2ctt s SER 82 CO 0.81 -0.26 1.27 -2.16 0.41 0.00 0.00 173.24 173.31 2ctt s PRO 83 N 1.56 4.42 0.43 12.44 0.04 -1.26 -3.26 135.00 149.37 2ctt s PRO 83 Ca -0.04 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 2ctt s PRO 83 Cb -0.18 -3.16 -0.13 0.00 0.04 0.00 0.00 34.50 31.06 2ctt s PRO 83 CO -0.07 -0.16 -0.07 0.00 0.04 0.00 0.00 177.00 176.74 2ctt n VAL 85 N -1.25 0.05 -0.06 0.00 0.24 -1.26 -2.47 118.33 113.58 2ctt n VAL 85 Ca 0.08 -0.53 -0.09 0.00 -2.04 0.00 0.00 64.34 61.76 2ctt n VAL 85 Cb 0.40 1.40 -0.06 0.00 -1.47 0.00 0.00 33.84 34.12 2ctt n VAL 85 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2ctt n VAL 86 N 1.25 0.75 0.03 3.34 0.31 -1.26 -4.74 118.33 118.01 2ctt n VAL 86 Ca 0.13 -0.30 0.05 0.00 -0.01 0.00 0.00 64.34 64.21 2ctt n VAL 86 Cb 0.55 -0.95 -0.07 0.00 -0.91 0.00 0.00 33.84 32.46 2ctt n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ctt n ARG 88 N -1.77 -3.88 -2.52 0.00 5.12 -1.03 -3.21 116.66 109.37 2ctt n ARG 88 Ca -0.01 0.51 -0.04 0.00 -1.93 0.00 0.00 57.85 56.38 2ctt n ARG 88 Cb 0.23 -4.55 0.01 0.00 -1.16 0.00 0.00 32.46 26.99 2ctt n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ctt n GLY 89 N -1.31 0.56 0.07 -0.13 0.00 -1.26 -4.76 105.19 98.36 2ctt n GLY 89 Ca -0.03 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 2ctt n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctt n ALA 90 N -2.44 1.70 -0.68 4.61 0.00 -1.20 -4.88 120.51 117.61 2ctt n ALA 90 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2ctt n ALA 90 Cb 0.52 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2ctt n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctt n GLY 91 N 2.75 0.60 3.39 0.00 0.00 -1.26 -4.97 105.19 105.70 2ctt n GLY 91 Ca -0.24 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 2ctt n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctt s GLN 92 N -1.37 0.53 0.20 1.61 -0.21 -1.26 -2.35 119.66 116.81 2ctt s GLN 92 Ca 0.00 0.82 0.00 0.00 0.02 0.00 0.00 55.36 56.21 2ctt s GLN 92 Cb 0.00 0.14 0.00 0.00 1.00 0.00 0.00 33.01 34.15 2ctt s GLN 92 CO 0.00 -0.12 0.25 0.00 -2.12 0.00 0.00 175.29 173.31 2ctt n ALA 93 N 3.62 -0.06 -1.82 6.09 0.00 0.78 -4.67 120.51 124.45 2ctt n ALA 93 Ca -0.18 -0.97 -0.39 0.00 0.00 0.00 0.00 53.44 51.90 2ctt n ALA 93 Cb 0.56 0.78 -0.04 0.00 0.00 0.00 0.00 19.45 20.76 2ctt n ALA 93 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ctt n LYS 94 N -0.34 2.13 -3.93 0.00 5.02 -1.26 0.48 118.16 120.26 2ctt n LYS 94 Ca 0.01 -2.46 -0.35 0.00 -2.02 0.00 0.00 58.31 53.49 2ctt n LYS 94 Cb 0.34 -3.34 -0.10 0.00 -0.02 0.00 0.00 35.03 31.90 2ctt n LYS 94 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2ctt s GLN 95 N 4.93 3.91 1.01 1.97 1.11 -1.26 -4.87 119.66 126.46 2ctt s GLN 95 Ca 0.58 -0.37 -0.22 0.00 0.01 0.00 0.00 55.36 55.36 2ctt s GLN 95 Cb 0.08 -3.27 -0.13 0.00 -1.01 0.00 0.00 33.01 28.68 2ctt s GLN 95 CO 0.08 0.15 -0.99 0.36 0.01 0.00 0.00 175.29 174.89 2ctt n LYS 96 N 3.93 -0.22 -2.50 2.91 0.00 -1.26 -3.67 118.16 117.36 2ctt n LYS 96 Ca -0.16 -0.06 -0.43 0.00 -0.00 0.00 0.00 58.31 57.66 2ctt n LYS 96 Cb 0.52 -1.15 -0.02 0.00 -0.00 0.00 0.00 35.03 34.38 2ctt n LYS 96 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2ctt s LYS 97 N -2.30 3.95 -0.17 -1.58 -0.14 -1.26 -4.80 119.74 113.45 2ctt s LYS 97 Ca 0.41 1.15 -0.07 0.00 -1.36 0.00 0.00 55.97 56.10 2ctt s LYS 97 Cb -0.04 -3.84 -0.07 0.00 -1.68 0.00 0.00 37.83 32.20 2ctt s LYS 97 CO 0.72 -1.07 -0.21 -2.13 -0.76 0.00 0.00 175.35 171.90 2ctt n ARG 98 N 7.21 0.36 -3.27 1.68 3.00 -1.26 -5.00 116.66 119.37 2ctt n ARG 98 Ca 0.14 0.15 -0.04 0.00 -0.00 0.00 0.00 57.85 58.09 2ctt n ARG 98 Cb 0.47 -1.11 -0.05 0.00 0.00 0.00 0.00 32.46 31.76 2ctt n ARG 98 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2ctt s SER 99 N -6.40 -0.35 0.00 6.15 0.01 -1.26 -5.06 113.70 106.79 2ctt s SER 99 Ca -0.23 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2ctt s SER 99 Cb 0.09 1.49 0.00 0.00 0.21 0.00 0.00 66.02 67.81 2ctt s SER 99 CO 0.30 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2ctt n GLY 100 N 5.39 0.20 0.00 3.44 0.00 -1.26 -4.79 105.19 108.16 2ctt n GLY 100 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 2ctt n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctt n PRO 101 N -1.62 0.42 -5.17 1.61 -0.04 -1.26 -4.53 135.00 124.40 2ctt n PRO 101 Ca 0.00 0.04 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 2ctt n PRO 101 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 2ctt n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ctt s SER 102 N -2.15 2.80 -1.05 3.54 0.15 -1.26 -4.76 113.70 110.97 2ctt s SER 102 Ca 0.21 -0.44 -0.03 0.00 0.70 0.00 0.00 55.95 56.39 2ctt s SER 102 Cb 0.11 -0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 63.90 2ctt s SER 102 CO 0.19 0.27 0.89 -1.20 1.20 0.00 0.00 173.24 174.59 2ctt n SER 103 N 2.68 -4.12 -0.02 5.45 7.64 -1.26 -4.88 113.62 119.11 2ctt n SER 103 Ca -0.16 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.10 2ctt n SER 103 Cb 0.52 -4.84 0.00 0.00 -1.01 0.00 0.00 64.21 58.89 2ctt n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64