#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tsq s GLN 2 N 0.00 3.36 -0.25 0.54 0.74 -1.26 -5.10 119.66 117.69 1tsq s GLN 2 Ca 0.00 -0.65 -0.08 0.00 0.05 0.00 0.00 55.36 54.69 1tsq s GLN 2 Cb 0.00 -2.91 -0.03 0.00 1.10 0.00 0.00 33.01 31.17 1tsq s GLN 2 CO 0.00 -0.12 0.08 0.42 -0.55 0.00 0.00 175.29 175.12 1tsq s ILE 3 N 1.25 4.39 0.71 -2.34 -1.09 -1.26 -5.10 121.20 117.76 1tsq s ILE 3 Ca 0.03 -0.15 -0.10 0.00 -2.23 0.00 0.00 60.65 58.21 1tsq s ILE 3 Cb -0.14 -3.05 0.04 0.00 -1.58 0.00 0.00 42.46 37.72 1tsq s ILE 3 CO -0.03 0.33 1.07 0.42 -1.23 0.00 0.00 174.94 175.50 1tsq s THR 4 N 1.62 2.86 -0.25 2.92 -4.23 -1.26 -5.01 115.64 112.29 1tsq s THR 4 Ca 0.06 0.10 0.13 0.00 -1.18 0.00 0.00 61.69 60.80 1tsq s THR 4 Cb -0.15 -3.24 0.55 0.00 1.34 0.00 0.00 72.50 71.00 1tsq s THR 4 CO 0.04 -0.30 1.50 0.18 -0.54 0.00 0.00 174.62 175.51 1tsq n LEU 5 N -2.99 4.34 -0.20 4.79 4.77 -1.26 -4.53 117.00 121.92 1tsq n LEU 5 Ca 0.07 -3.34 -0.04 0.00 -0.03 0.00 0.00 56.01 52.67 1tsq n LEU 5 Cb 0.59 -0.61 0.15 0.00 -2.33 0.00 0.00 43.42 41.21 1tsq n LEU 5 CO 0.55 0.92 1.02 -0.50 -1.33 0.00 0.00 177.39 178.05 1tsq h TRP 6 N 1.56 1.00 -2.12 -1.77 4.06 -2.06 -3.44 115.95 113.19 1tsq h TRP 6 Ca 0.14 -0.08 -0.57 0.00 2.06 0.00 0.00 58.89 60.44 1tsq h TRP 6 Cb 1.68 -0.30 -0.13 0.00 -1.00 0.00 0.00 29.16 29.41 1tsq h TRP 6 CO 0.82 0.79 -0.61 -1.59 -3.56 0.00 0.00 178.44 174.29 1tsq s LYS 7 N -5.37 1.83 0.25 0.49 -2.85 -1.26 -5.09 119.74 107.73 1tsq s LYS 7 Ca -0.11 -2.02 -0.31 0.00 -1.00 0.00 0.00 55.97 52.54 1tsq s LYS 7 Cb 0.16 -1.37 -0.12 0.00 -2.06 0.00 0.00 37.83 34.44 1tsq s LYS 7 CO 0.81 -0.08 1.64 0.54 0.10 0.00 0.00 175.35 178.37 1tsq n ARG 8 N -0.84 2.69 -2.23 1.78 1.74 -1.26 -4.84 116.66 113.69 1tsq n ARG 8 Ca -0.04 0.96 -0.38 0.00 -0.77 0.00 0.00 57.85 57.63 1tsq n ARG 8 Cb 0.66 -2.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.31 1tsq n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1tsq n PRO 9 N 2.97 2.49 -3.66 5.56 -0.04 -1.26 -4.94 135.00 136.12 1tsq n PRO 9 Ca 0.12 -2.84 -0.37 0.00 -0.04 0.00 0.00 63.50 60.37 1tsq n PRO 9 Cb 0.35 -3.53 -0.06 0.00 -0.04 0.00 0.00 33.50 30.23 1tsq n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1tsq s LEU 10 N 6.28 4.39 0.14 1.53 1.43 -1.26 -1.07 118.68 130.12 1tsq s LEU 10 Ca 0.59 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 1tsq s LEU 10 Cb 0.04 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1tsq s LEU 10 CO 0.09 0.31 0.02 0.68 0.23 0.00 0.00 176.35 177.68 1tsq s VAL 11 N -0.70 0.38 0.06 -1.59 -7.23 -0.40 -4.92 120.40 105.99 1tsq s VAL 11 Ca 0.19 -1.93 -0.22 0.00 -1.81 0.00 0.00 61.98 58.20 1tsq s VAL 11 Cb -0.14 -2.03 -0.06 0.00 0.56 0.00 0.00 36.38 34.71 1tsq s VAL 11 CO 0.07 -0.52 0.68 -0.89 -0.31 0.00 0.00 175.10 174.13 1tsq s THR 12 N -3.86 4.71 0.10 5.32 2.01 -1.26 -1.28 115.64 121.39 1tsq s THR 12 Ca 0.22 1.44 0.05 0.00 0.31 0.00 0.00 61.69 63.71 1tsq s THR 12 Cb 0.07 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1tsq s THR 12 CO 0.02 0.46 -0.12 0.27 -0.69 0.00 0.00 174.62 174.55 1tsq s ILE 13 N -0.56 1.10 -0.15 1.82 -4.36 0.16 -1.15 121.20 118.06 1tsq s ILE 13 Ca 0.34 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.11 1tsq s ILE 13 Cb -0.20 -1.38 -0.00 0.00 1.25 0.00 0.00 42.46 42.13 1tsq s ILE 13 CO 0.21 -0.46 -0.16 -0.60 0.24 0.00 0.00 174.94 174.17 1tsq s ARG 14 N -2.61 3.19 -0.14 0.37 3.52 0.54 -1.69 118.95 122.14 1tsq s ARG 14 Ca 0.06 -0.76 -0.13 0.00 -0.13 0.00 0.00 55.73 54.77 1tsq s ARG 14 Cb -0.05 -2.61 0.04 0.00 -1.56 0.00 0.00 34.95 30.77 1tsq s ARG 14 CO 0.01 0.01 0.37 -1.50 -0.81 0.00 0.00 175.30 173.38 1tsq s ILE 15 N 0.84 -0.00 -1.03 4.11 2.07 -0.10 -0.47 121.20 126.61 1tsq s ILE 15 Ca -0.05 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 1tsq s ILE 15 Cb -0.15 -0.52 0.00 0.00 0.13 0.00 0.00 42.46 41.91 1tsq s ILE 15 CO -0.01 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1tsq n GLY 16 N 2.98 -0.21 0.98 1.50 0.00 -1.26 -0.84 105.19 108.34 1tsq n GLY 16 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1tsq n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tsq n GLY 17 N -0.68 2.64 3.82 -0.02 0.00 -1.26 -5.03 105.19 104.65 1tsq n GLY 17 Ca -0.13 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 1tsq n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tsq s GLN 18 N 0.00 3.40 -0.14 1.61 -0.21 -0.02 -5.05 119.66 119.26 1tsq s GLN 18 Ca 0.00 1.09 -0.01 0.00 0.02 0.00 0.00 55.36 56.46 1tsq s GLN 18 Cb 0.00 -2.05 -0.02 0.00 1.00 0.00 0.00 33.01 31.94 1tsq s GLN 18 CO 0.00 -0.73 -0.09 -0.51 -2.12 0.00 0.00 175.29 171.83 1tsq s LEU 19 N -4.61 2.95 0.21 2.90 1.02 -1.26 -0.92 118.68 118.97 1tsq s LEU 19 Ca 0.61 -0.23 -0.10 0.00 0.02 0.00 0.00 54.13 54.44 1tsq s LEU 19 Cb -0.14 -1.68 -0.01 0.00 0.02 0.00 0.00 46.19 44.38 1tsq s LEU 19 CO 0.39 0.18 0.35 -1.59 0.02 0.00 0.00 176.35 175.71 1tsq s LYS 20 N 0.28 1.35 -0.13 1.70 -2.85 -0.68 -4.98 119.74 114.43 1tsq s LYS 20 Ca -0.07 -1.28 -0.11 0.00 -1.00 0.00 0.00 55.97 53.51 1tsq s LYS 20 Cb -0.15 0.41 -0.05 0.00 -2.06 0.00 0.00 37.83 35.98 1tsq s LYS 20 CO 0.04 -0.52 0.22 -1.21 0.10 0.00 0.00 175.35 173.99 1tsq s GLU 21 N -4.02 3.89 0.03 1.78 0.41 -1.26 -0.67 118.70 118.86 1tsq s GLU 21 Ca 0.23 0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.80 1tsq s GLU 21 Cb 0.02 -3.30 -0.02 0.00 -1.78 0.00 0.00 34.13 29.04 1tsq s GLU 21 CO 0.06 0.53 -0.03 0.00 -0.49 0.00 0.00 175.26 175.32 1tsq s ALA 22 N -0.36 0.19 -0.20 5.21 0.00 -0.40 -4.52 121.76 121.68 1tsq s ALA 22 Ca 0.15 -0.67 -0.21 0.00 0.00 0.00 0.00 51.96 51.23 1tsq s ALA 22 Cb -0.13 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1tsq s ALA 22 CO 0.04 -0.17 0.66 -1.17 0.00 0.00 0.00 175.76 175.12 1tsq s LEU 23 N -1.63 4.14 -0.52 0.00 2.96 0.92 -1.28 118.68 123.27 1tsq s LEU 23 Ca -0.13 0.88 -0.28 0.00 -0.22 0.00 0.00 54.13 54.38 1tsq s LEU 23 Cb -0.08 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.68 1tsq s LEU 23 CO -0.02 -0.31 1.43 -0.76 -1.32 0.00 0.00 176.35 175.37 1tsq s LEU 24 N 2.03 3.45 -0.39 -0.68 1.02 -0.23 -0.59 118.68 123.28 1tsq s LEU 24 Ca 0.30 0.43 -0.03 0.00 0.02 0.00 0.00 54.13 54.85 1tsq s LEU 24 Cb -0.16 -3.17 0.10 0.00 0.02 0.00 0.00 46.19 42.98 1tsq s LEU 24 CO 0.10 -1.65 0.18 0.21 0.02 0.00 0.00 176.35 175.20 1tsq s ASN 25 N 4.39 5.20 0.00 2.29 3.04 -0.30 -4.79 114.94 124.78 1tsq s ASN 25 Ca 0.55 -1.94 0.19 0.00 0.04 0.00 0.00 52.86 51.70 1tsq s ASN 25 Cb -0.12 -1.81 0.89 0.00 -1.54 0.00 0.00 41.25 38.67 1tsq s ASN 25 CO 0.27 -0.50 1.62 0.35 -3.04 0.00 0.00 177.10 175.79 1tsq n THR 26 N 4.59 0.57 -0.91 -5.21 -2.24 -1.26 -2.46 114.28 107.35 1tsq n THR 26 Ca -0.03 0.14 0.07 0.00 -2.27 0.00 0.00 64.05 61.97 1tsq n THR 26 Cb 0.42 -0.81 0.38 0.00 -2.10 0.00 0.00 70.33 68.22 1tsq n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tsq n GLY 27 N 0.46 3.16 3.02 3.38 0.00 -1.26 -4.87 105.19 109.08 1tsq n GLY 27 Ca 0.06 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 1tsq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tsq s ALA 28 N -2.75 1.56 0.17 4.61 0.00 -1.03 -5.02 121.76 119.30 1tsq s ALA 28 Ca 0.53 -0.65 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 1tsq s ALA 28 Cb 0.40 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.76 1tsq s ALA 28 CO 0.15 -0.11 1.47 -0.44 0.00 0.00 0.00 175.76 176.83 1tsq h ASP 29 N 7.48 0.74 -1.17 0.00 3.32 -1.89 -0.33 116.42 124.58 1tsq h ASP 29 Ca -0.31 -0.40 -0.60 0.00 0.02 0.00 0.00 57.03 55.74 1tsq h ASP 29 Cb 1.17 -0.21 -0.09 0.00 0.22 0.00 0.00 39.33 40.41 1tsq h ASP 29 CO 0.48 1.15 -0.48 -1.81 -1.72 0.00 0.00 179.24 176.85 1tsq s ASP 30 N -6.94 4.32 -0.20 6.45 1.01 -1.26 -2.80 116.67 117.26 1tsq s ASP 30 Ca -0.08 -1.27 -0.08 0.00 0.71 0.00 0.00 52.55 51.83 1tsq s ASP 30 Cb 0.11 -0.10 -0.04 0.00 1.01 0.00 0.00 42.92 43.89 1tsq s ASP 30 CO 0.86 -0.69 0.08 -0.89 0.21 0.00 0.00 175.17 174.74 1tsq s THR 31 N -2.70 4.84 -0.08 -1.27 2.01 -1.26 -2.81 115.64 114.37 1tsq s THR 31 Ca 0.32 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.33 1tsq s THR 31 Cb 0.03 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.35 1tsq s THR 31 CO 0.18 0.42 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.71 1tsq s VAL 32 N 0.68 1.18 0.08 3.82 1.01 0.01 -0.47 120.40 126.71 1tsq s VAL 32 Ca 0.04 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.61 1tsq s VAL 32 Cb -0.13 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1tsq s VAL 32 CO 0.02 0.37 -0.16 -0.76 0.00 0.00 0.00 175.10 174.57 1tsq s LEU 33 N 0.83 2.74 0.71 3.92 1.43 0.10 0.11 118.68 128.54 1tsq s LEU 33 Ca -0.11 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.38 1tsq s LEU 33 Cb -0.15 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.48 1tsq s LEU 33 CO 0.02 0.22 1.05 1.21 0.23 0.00 0.00 176.35 179.08 1tsq n GLU 34 N 1.14 0.59 -1.50 1.70 0.00 -1.26 -2.53 120.64 118.77 1tsq n GLU 34 Ca -0.15 0.26 -0.54 0.00 0.00 0.00 0.00 57.16 56.72 1tsq n GLU 34 Cb 0.52 -2.30 -0.06 0.00 0.00 0.00 0.00 31.44 29.60 1tsq n GLU 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1tsq n GLU 35 N -2.01 0.30 -3.67 5.31 4.07 -0.97 -4.64 120.64 119.03 1tsq n GLU 35 Ca 0.14 0.11 -0.11 0.00 -0.06 0.00 0.00 57.16 57.23 1tsq n GLU 35 Cb 0.49 -1.51 -0.08 0.00 -0.06 0.00 0.00 31.44 30.28 1tsq n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1tsq s MET 36 N -0.24 0.63 -1.22 5.31 0.23 -1.26 -5.01 119.30 117.74 1tsq s MET 36 Ca 0.81 0.91 -0.16 0.00 -1.03 0.00 0.00 55.69 56.23 1tsq s MET 36 Cb -1.10 0.21 -0.04 0.00 -1.53 0.00 0.00 34.83 32.38 1tsq s MET 36 CO 0.55 -0.11 2.20 -1.71 -2.03 0.00 0.00 175.02 173.92 1tsq n ASN 37 N 3.44 4.03 -4.77 -1.18 4.05 -1.26 -4.96 115.26 114.62 1tsq n ASN 37 Ca -0.17 -2.72 -0.39 0.00 0.45 0.00 0.00 54.58 51.75 1tsq n ASN 37 Cb 0.57 -1.44 -0.04 0.00 1.23 0.00 0.00 39.78 40.09 1tsq n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1tsq s LEU 38 N 1.51 4.39 0.58 1.20 1.43 -1.26 -5.04 118.68 121.48 1tsq s LEU 38 Ca 0.52 2.13 -0.09 0.00 -1.03 0.00 0.00 54.13 55.67 1tsq s LEU 38 Cb 0.14 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1tsq s LEU 38 CO -0.02 -0.26 0.95 -2.16 0.23 0.00 0.00 176.35 175.09 1tsq s PRO 39 N -1.87 3.49 0.00 1.29 0.04 -1.26 -5.00 135.00 131.69 1tsq s PRO 39 Ca 0.50 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1tsq s PRO 39 Cb -0.27 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1tsq s PRO 39 CO 0.34 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1tsq n GLY 40 N -2.60 2.20 3.83 0.56 0.00 -1.26 -5.04 105.19 102.87 1tsq n GLY 40 Ca 0.04 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 1tsq n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tsq s LYS 41 N -2.22 3.90 0.15 1.61 3.01 -1.26 -5.07 119.74 119.85 1tsq s LYS 41 Ca 0.00 1.07 -0.10 0.00 -1.01 0.00 0.00 55.97 55.92 1tsq s LYS 41 Cb 0.00 -2.13 0.00 0.00 -1.01 0.00 0.00 37.83 34.70 1tsq s LYS 41 CO 0.00 -0.32 0.29 1.67 0.51 0.00 0.00 175.35 177.50 1tsq s TRP 42 N -2.44 0.24 0.04 3.18 1.48 -1.26 -4.72 118.94 115.46 1tsq s TRP 42 Ca 0.61 -0.62 0.09 0.00 -1.06 0.00 0.00 56.10 55.13 1tsq s TRP 42 Cb -0.11 0.01 -0.03 0.00 -1.16 0.00 0.00 33.47 32.18 1tsq s TRP 42 CO 0.27 -0.70 -0.26 0.15 -4.06 0.00 0.00 176.95 172.36 1tsq s LYS 43 N -3.92 1.80 0.36 3.25 -0.14 -0.83 -4.89 119.74 115.37 1tsq s LYS 43 Ca 0.12 -1.08 -0.27 0.00 -1.36 0.00 0.00 55.97 53.39 1tsq s LYS 43 Cb 0.03 -1.95 -0.09 0.00 -1.68 0.00 0.00 37.83 34.14 1tsq s LYS 43 CO -0.04 0.51 1.14 -2.14 -0.76 0.00 0.00 175.35 174.06 1tsq s PRO 44 N -1.16 4.27 0.11 -1.68 0.02 -1.26 -0.72 135.00 134.57 1tsq s PRO 44 Ca 0.11 1.80 -0.09 0.00 0.02 0.00 0.00 61.00 62.84 1tsq s PRO 44 Cb -0.10 -2.84 -0.00 0.00 0.02 0.00 0.00 34.50 31.58 1tsq s PRO 44 CO 0.02 -0.12 0.23 0.21 -0.33 0.00 0.00 177.00 177.01 1tsq s LYS 45 N -2.04 0.94 -0.12 5.54 2.20 -0.58 -4.88 119.74 120.80 1tsq s LYS 45 Ca 0.53 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1tsq s LYS 45 Cb -0.30 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 36.40 1tsq s LYS 45 CO 0.38 -0.32 -0.11 -1.64 -0.36 0.00 0.00 175.35 173.31 1tsq s MET 46 N -3.88 1.83 0.04 4.03 -1.94 -1.26 -1.22 119.30 116.89 1tsq s MET 46 Ca 0.08 -0.39 0.09 0.00 -1.71 0.00 0.00 55.69 53.76 1tsq s MET 46 Cb 0.04 -1.73 -0.03 0.00 2.01 0.00 0.00 34.83 35.12 1tsq s MET 46 CO -0.08 -0.20 -0.25 0.96 -0.01 0.00 0.00 175.02 175.43 1tsq s ILE 47 N 1.44 2.23 0.27 2.53 -4.36 -0.83 -4.95 121.20 117.52 1tsq s ILE 47 Ca 0.01 -1.35 0.11 0.00 -0.26 0.00 0.00 60.65 59.16 1tsq s ILE 47 Cb -0.13 -1.87 -0.05 0.00 1.25 0.00 0.00 42.46 41.66 1tsq s ILE 47 CO -0.07 0.37 -0.11 -0.83 0.24 0.00 0.00 174.94 174.55 1tsq s GLY 48 N -1.24 1.77 0.00 6.27 0.00 -1.26 -1.23 107.32 111.63 1tsq s GLY 48 Ca 0.12 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1tsq s GLY 48 CO 0.02 -1.84 0.00 0.61 0.00 0.00 0.00 173.10 171.90 1tsq n GLY 49 N -0.72 3.25 3.75 0.20 0.00 -0.17 -4.98 105.19 106.51 1tsq n GLY 49 Ca -0.06 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1tsq n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1tsq s ILE 50 N -2.77 3.30 0.00 -0.61 2.07 -1.26 -2.59 121.20 119.35 1tsq s ILE 50 Ca 0.00 1.19 0.00 0.00 -1.41 0.00 0.00 60.65 60.43 1tsq s ILE 50 Cb 0.00 -3.76 0.00 0.00 0.13 0.00 0.00 42.46 38.83 1tsq s ILE 50 CO 0.00 0.24 0.00 0.61 -1.91 0.00 0.00 174.94 173.88 1tsq n GLY 51 N 1.62 3.03 0.00 1.50 0.00 -1.26 -4.96 105.19 105.12 1tsq n GLY 51 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1tsq n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tsq n GLY 52 N 0.00 0.66 3.69 -0.02 0.00 -1.07 -5.12 105.19 103.33 1tsq n GLY 52 Ca 0.00 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 44.11 1tsq n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tsq s PHE 53 N -3.27 2.86 0.07 1.61 0.40 -1.26 -1.00 117.98 117.39 1tsq s PHE 53 Ca 0.00 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 1tsq s PHE 53 Cb 0.00 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 1tsq s PHE 53 CO 0.00 0.54 -0.11 0.96 0.70 0.00 0.00 175.22 177.32 1tsq s ILE 54 N -1.92 0.88 0.03 0.64 -4.36 -0.36 -4.97 121.20 111.13 1tsq s ILE 54 Ca 0.29 -1.38 -0.21 0.00 -0.26 0.00 0.00 60.65 59.10 1tsq s ILE 54 Cb -0.08 -1.06 -0.06 0.00 1.25 0.00 0.00 42.46 42.51 1tsq s ILE 54 CO 0.20 -0.41 0.61 -1.59 0.24 0.00 0.00 174.94 174.00 1tsq s LYS 55 N -2.12 4.32 0.13 0.37 0.00 -1.26 -1.97 119.74 119.21 1tsq s LYS 55 Ca -0.01 0.79 -0.01 0.00 0.00 0.00 0.00 55.97 56.73 1tsq s LYS 55 Cb -0.07 -3.32 -0.04 0.00 0.00 0.00 0.00 37.83 34.40 1tsq s LYS 55 CO 0.01 0.43 0.07 0.14 0.00 0.00 0.00 175.35 175.99 1tsq s VAL 56 N -0.42 0.10 -0.18 1.79 -7.23 -0.36 -4.42 120.40 109.68 1tsq s VAL 56 Ca 0.32 -1.89 -0.07 0.00 -1.81 0.00 0.00 61.98 58.53 1tsq s VAL 56 Cb -0.19 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1tsq s VAL 56 CO 0.19 -0.46 0.06 -0.13 -0.31 0.00 0.00 175.10 174.44 1tsq s ARG 57 N -4.04 3.96 -0.28 4.82 0.52 0.81 -1.53 118.95 123.19 1tsq s ARG 57 Ca 0.24 -0.35 -0.11 0.00 -0.52 0.00 0.00 55.73 54.98 1tsq s ARG 57 Cb 0.07 -3.20 -0.05 0.00 0.52 0.00 0.00 34.95 32.29 1tsq s ARG 57 CO 0.02 0.26 0.19 -1.14 0.02 0.00 0.00 175.30 174.65 1tsq s GLN 58 N 0.39 3.91 -0.11 3.54 0.74 0.10 -0.98 119.66 127.25 1tsq s GLN 58 Ca 0.03 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.10 1tsq s GLN 58 Cb -0.12 -3.65 -0.02 0.00 1.10 0.00 0.00 33.01 30.31 1tsq s GLN 58 CO 0.00 -0.19 -0.12 0.71 -0.55 0.00 0.00 175.29 175.14 1tsq s TYR 59 N 1.75 2.82 0.25 1.67 1.51 -0.41 -1.96 117.35 122.98 1tsq s TYR 59 Ca 0.07 -0.45 0.06 0.00 -1.01 0.00 0.00 57.07 55.75 1tsq s TYR 59 Cb -0.16 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 1tsq s TYR 59 CO 0.11 -0.06 0.26 -0.51 -1.11 0.00 0.00 175.55 174.24 1tsq s ASP 60 N 0.02 5.80 -1.50 2.29 1.01 -1.26 -0.54 116.67 122.48 1tsq s ASP 60 Ca -0.03 -0.15 -0.09 0.00 0.71 0.00 0.00 52.55 52.99 1tsq s ASP 60 Cb -0.14 -1.54 0.06 0.00 1.01 0.00 0.00 42.92 42.31 1tsq s ASP 60 CO 0.04 -0.07 0.74 0.00 0.21 0.00 0.00 175.17 176.09 1tsq n GLN 61 N -1.28 -4.30 -3.51 8.23 1.13 -1.12 -4.89 117.38 111.63 1tsq n GLN 61 Ca -0.08 0.50 -0.37 0.00 -1.94 0.00 0.00 57.00 55.12 1tsq n GLN 61 Cb 0.58 -5.09 -0.07 0.00 0.11 0.00 0.00 30.24 25.76 1tsq n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1tsq s ILE 62 N -3.54 5.29 0.10 5.09 -1.09 -0.08 -4.75 121.20 122.21 1tsq s ILE 62 Ca 0.38 0.56 -0.31 0.00 -2.23 0.00 0.00 60.65 59.05 1tsq s ILE 62 Cb -0.20 -3.64 -0.07 0.00 -1.58 0.00 0.00 42.46 36.97 1tsq s ILE 62 CO 0.86 0.36 1.23 -2.84 -1.23 0.00 0.00 174.94 173.32 1tsq s PRO 63 N 0.68 4.43 -0.08 2.79 0.02 -1.26 -1.80 135.00 139.79 1tsq s PRO 63 Ca 0.16 1.84 -0.02 0.00 0.02 0.00 0.00 61.00 63.01 1tsq s PRO 63 Cb -0.13 -3.31 0.03 0.00 0.02 0.00 0.00 34.50 31.12 1tsq s PRO 63 CO 0.05 -0.24 0.03 0.08 -0.33 0.00 0.00 177.00 176.58 1tsq s VAL 64 N 0.79 0.20 -0.22 3.83 1.01 -0.48 -4.20 120.40 121.34 1tsq s VAL 64 Ca 0.58 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 62.56 1tsq s VAL 64 Cb -0.31 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1tsq s VAL 64 CO 0.31 0.16 0.34 -0.70 0.00 0.00 0.00 175.10 175.21 1tsq s GLU 65 N 2.04 4.13 -0.34 2.72 2.12 0.38 -1.20 118.70 128.55 1tsq s GLU 65 Ca 0.04 0.08 -0.06 0.00 0.36 0.00 0.00 54.97 55.39 1tsq s GLU 65 Cb -0.13 -3.55 0.04 0.00 0.26 0.00 0.00 34.13 30.75 1tsq s GLU 65 CO -0.05 -0.05 0.10 0.42 -0.54 0.00 0.00 175.26 175.14 1tsq s ILE 66 N 1.35 3.75 -1.59 -3.70 1.01 0.15 -0.34 121.20 121.83 1tsq s ILE 66 Ca 0.16 -1.13 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 1tsq s ILE 66 Cb -0.15 -3.12 0.11 0.00 0.01 0.00 0.00 42.46 39.31 1tsq s ILE 66 CO 0.07 -0.16 0.81 0.00 0.00 0.00 0.00 174.94 175.66 1tsq n GLY 68 N -1.58 3.25 3.63 0.00 0.00 -1.26 -5.02 105.19 104.20 1tsq n GLY 68 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1tsq n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tsq s HIS 69 N -2.05 3.27 0.26 1.61 4.02 0.10 -5.04 115.29 117.47 1tsq s HIS 69 Ca 0.00 0.90 -0.30 0.00 1.02 0.00 0.00 55.06 56.68 1tsq s HIS 69 Cb 0.00 -2.98 -0.09 0.00 -1.02 0.00 0.00 32.58 28.49 1tsq s HIS 69 CO 0.00 -0.40 1.06 0.15 1.02 0.00 0.00 174.74 176.57 1tsq s LYS 70 N 2.69 4.69 0.25 1.40 1.02 -1.26 0.31 119.74 128.84 1tsq s LYS 70 Ca 0.30 1.72 -0.05 0.00 0.02 0.00 0.00 55.97 57.96 1tsq s LYS 70 Cb -0.15 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 33.92 1tsq s LYS 70 CO 0.09 0.28 0.32 0.00 -0.92 0.00 0.00 175.35 175.12 1tsq s ALA 71 N -1.10 0.63 -0.29 5.17 0.00 -0.34 -4.79 121.76 121.03 1tsq s ALA 71 Ca 0.44 -1.39 -0.13 0.00 0.00 0.00 0.00 51.96 50.87 1tsq s ALA 71 Cb -0.30 1.24 0.12 0.00 0.00 0.00 0.00 23.12 24.18 1tsq s ALA 71 CO 0.38 -0.72 0.74 -1.50 0.00 0.00 0.00 175.76 174.66 1tsq s ILE 72 N -3.89 -0.57 0.00 0.00 2.07 -1.26 -1.38 121.20 116.18 1tsq s ILE 72 Ca 0.32 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.56 1tsq s ILE 72 Cb 0.03 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.62 1tsq s ILE 72 CO 0.13 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.77 1tsq n GLY 73 N 4.92 1.30 3.71 1.50 0.00 -0.74 -4.84 105.19 111.04 1tsq n GLY 73 Ca -0.14 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1tsq n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tsq s THR 74 N -1.96 4.46 -0.09 2.61 2.01 -1.26 -0.90 115.64 120.51 1tsq s THR 74 Ca 0.00 1.78 0.03 0.00 0.31 0.00 0.00 61.69 63.81 1tsq s THR 74 Cb 0.00 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.37 1tsq s THR 74 CO 0.00 0.15 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.21 1tsq s VAL 75 N 0.95 1.62 -0.12 3.82 1.01 0.29 -4.44 120.40 123.53 1tsq s VAL 75 Ca 0.55 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1tsq s VAL 75 Cb -0.25 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1tsq s VAL 75 CO 0.29 0.46 0.08 -0.76 0.00 0.00 0.00 175.10 175.17 1tsq s LEU 76 N 0.55 4.03 -0.09 3.92 1.43 0.37 -1.28 118.68 127.61 1tsq s LEU 76 Ca -0.16 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1tsq s LEU 76 Cb -0.17 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.08 1tsq s LEU 76 CO 0.06 0.35 -0.19 -0.69 0.23 0.00 0.00 176.35 176.10 1tsq s VAL 77 N -0.68 1.69 -0.00 -1.59 1.01 -0.16 0.02 120.40 120.69 1tsq s VAL 77 Ca 0.12 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1tsq s VAL 77 Cb -0.12 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1tsq s VAL 77 CO 0.02 0.48 0.15 0.61 0.00 0.00 0.00 175.10 176.36 1tsq n GLY 78 N 3.72 0.57 2.50 4.51 0.00 -1.05 -0.14 105.19 115.30 1tsq n GLY 78 Ca -0.20 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 1tsq n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tsq n PRO 79 N -0.11 2.74 -3.44 1.61 -0.04 -1.26 -2.30 135.00 132.20 1tsq n PRO 79 Ca 0.01 -1.78 -0.38 0.00 -0.04 0.00 0.00 63.50 61.30 1tsq n PRO 79 Cb 0.07 -2.62 -0.06 0.00 -0.04 0.00 0.00 33.50 30.85 1tsq n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1tsq s THR 80 N 2.94 4.95 -2.00 0.52 -1.32 -1.26 -4.96 115.64 114.51 1tsq s THR 80 Ca 0.52 0.91 0.10 0.00 -1.21 0.00 0.00 61.69 62.02 1tsq s THR 80 Cb 0.13 -3.76 0.30 0.00 -1.51 0.00 0.00 72.50 67.66 1tsq s THR 80 CO -0.04 0.54 1.05 -0.81 -2.21 0.00 0.00 174.62 173.14 1tsq n PRO 81 N 1.68 0.45 -3.61 7.08 -0.04 -1.26 -4.67 135.00 134.63 1tsq n PRO 81 Ca -0.12 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.26 1tsq n PRO 81 Cb 0.52 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.56 1tsq n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tsq s ALA 82 N -2.00 -2.01 -0.03 0.55 0.00 -1.26 -5.11 121.76 111.90 1tsq s ALA 82 Ca 0.16 1.71 -0.30 0.00 0.00 0.00 0.00 51.96 53.53 1tsq s ALA 82 Cb 0.07 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 1tsq s ALA 82 CO 0.12 -0.26 1.42 -0.80 0.00 0.00 0.00 175.76 176.23 1tsq s ASN 83 N -0.82 6.84 -0.13 0.00 0.01 -1.26 -4.55 114.94 115.03 1tsq s ASN 83 Ca 0.02 2.07 0.02 0.00 -0.71 0.00 0.00 52.86 54.26 1tsq s ASN 83 Cb -0.02 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.11 1tsq s ASN 83 CO -0.03 -0.75 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.00 1tsq s ILE 84 N 2.75 1.74 -0.31 0.60 1.01 0.31 -0.05 121.20 127.24 1tsq s ILE 84 Ca 0.64 -0.77 -0.14 0.00 0.00 0.00 0.00 60.65 60.37 1tsq s ILE 84 Cb -0.30 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1tsq s ILE 84 CO 0.25 0.49 0.33 -0.63 0.00 0.00 0.00 174.94 175.39 1tsq s ILE 85 N 1.07 5.20 0.71 2.92 -1.09 0.25 -0.81 121.20 129.44 1tsq s ILE 85 Ca -0.03 0.20 0.03 0.00 -2.23 0.00 0.00 60.65 58.62 1tsq s ILE 85 Cb -0.14 -3.74 0.13 0.00 -1.58 0.00 0.00 42.46 37.13 1tsq s ILE 85 CO -0.05 0.03 0.97 -0.83 -1.23 0.00 0.00 174.94 173.84 1tsq s GLY 86 N 1.71 1.73 0.55 6.18 0.00 -1.12 -1.15 107.32 115.22 1tsq s GLY 86 Ca 0.12 -1.97 0.22 0.00 0.00 0.00 0.00 44.72 43.09 1tsq s GLY 86 CO 0.11 -1.38 2.16 3.21 0.00 0.00 0.00 173.10 177.20 1tsq h ARG 87 N -0.41 0.00 -0.43 2.90 3.08 -1.08 -2.05 114.38 116.39 1tsq h ARG 87 Ca -0.33 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.83 1tsq h ARG 87 Cb 1.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 1tsq h ARG 87 CO 0.38 0.00 0.30 -2.95 -1.07 0.00 0.00 179.97 176.63 1tsq h ASN 88 N 0.00 0.11 0.00 7.04 -1.07 -1.79 -1.97 115.58 117.90 1tsq h ASN 88 Ca 0.04 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.07 1tsq h ASN 88 Cb 0.18 -0.02 -0.06 0.00 -2.07 0.00 0.00 38.32 36.34 1tsq h ASN 88 CO -0.00 0.07 -2.29 0.18 0.07 0.00 0.00 177.43 175.46 1tsq n LEU 89 N -4.44 1.38 -0.02 6.14 4.77 -0.91 -4.35 117.00 119.57 1tsq n LEU 89 Ca 0.07 -0.06 0.06 0.00 -0.03 0.00 0.00 56.01 56.05 1tsq n LEU 89 Cb 0.42 -0.14 0.44 0.00 -2.33 0.00 0.00 43.42 41.82 1tsq n LEU 89 CO 0.35 0.66 1.17 -0.07 -1.33 0.00 0.00 177.39 178.17 1tsq h LEU 90 N 0.00 0.44 -1.01 2.23 3.38 -1.14 -0.67 115.31 118.54 1tsq h LEU 90 Ca -0.51 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.36 1tsq h LEU 90 Cb 1.98 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 1tsq h LEU 90 CO -0.02 0.31 -0.30 0.71 0.09 0.00 0.00 178.44 179.23 1tsq h THR 91 N 0.52 1.27 -0.02 0.22 1.35 -1.58 -1.15 112.91 113.52 1tsq h THR 91 Ca 0.18 -1.29 -0.08 0.00 -0.55 0.00 0.00 66.41 64.67 1tsq h THR 91 Cb 0.10 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1tsq h THR 91 CO -0.05 0.40 -0.37 1.56 -0.25 0.00 0.00 175.52 176.81 1tsq h GLN 92 N 0.30 0.04 -0.44 4.72 4.20 -1.32 -2.60 115.11 120.01 1tsq h GLN 92 Ca 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1tsq h GLN 92 Cb 0.68 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1tsq h GLN 92 CO 0.05 0.41 0.00 0.44 -0.67 0.00 0.00 178.83 179.06 1tsq n ILE 93 N -4.09 0.57 -2.74 2.54 -5.35 -1.06 -4.94 119.36 104.29 1tsq n ILE 93 Ca -0.02 -0.68 -0.12 0.00 -0.27 0.00 0.00 62.75 61.66 1tsq n ILE 93 Cb 0.42 0.59 0.02 0.00 -1.74 0.00 0.00 39.64 38.93 1tsq n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tsq n GLY 94 N 1.40 0.06 3.74 3.28 0.00 -0.98 -5.00 105.19 107.69 1tsq n GLY 94 Ca 0.19 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1tsq n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tsq s THR 96 N -0.12 0.84 -0.17 0.00 -4.23 -1.26 -4.73 115.64 105.98 1tsq s THR 96 Ca 0.41 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.85 1tsq s THR 96 Cb -0.22 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1tsq s THR 96 CO 0.26 -0.55 0.07 -0.76 -0.54 0.00 0.00 174.62 173.10 1tsq s LEU 97 N -3.18 3.92 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.25 1tsq s LEU 97 Ca 0.22 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1tsq s LEU 97 Cb 0.05 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1tsq s LEU 97 CO 0.03 0.23 -0.05 0.20 0.23 0.00 0.00 176.35 176.99 1tsq s ASN 98 N 0.06 0.83 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.69 1tsq s ASN 98 Ca 0.06 -0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.23 1tsq s ASN 98 Cb -0.12 -0.30 0.00 0.00 -0.02 0.00 0.00 41.25 40.81 1tsq s ASN 98 CO 0.00 -0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.75