#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tsu s GLN 2 N 0.00 3.83 -0.15 -0.52 0.74 -1.26 -5.09 119.66 117.21 1tsu s GLN 2 Ca 0.00 -0.43 0.02 0.00 0.05 0.00 0.00 55.36 55.01 1tsu s GLN 2 Cb 0.00 -3.10 0.01 0.00 1.10 0.00 0.00 33.01 31.03 1tsu s GLN 2 CO 0.00 0.23 -0.21 0.42 -0.55 0.00 0.00 175.29 175.18 1tsu s ILE 3 N 0.44 2.02 0.33 -2.34 1.01 -1.26 -5.13 121.20 116.27 1tsu s ILE 3 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 1tsu s ILE 3 Cb -0.13 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1tsu s ILE 3 CO 0.02 0.54 0.56 0.42 0.00 0.00 0.00 174.94 176.48 1tsu s THR 4 N 0.94 5.07 -0.33 2.92 -4.23 -1.26 -5.02 115.64 113.72 1tsu s THR 4 Ca -0.04 -0.21 0.09 0.00 -1.18 0.00 0.00 61.69 60.36 1tsu s THR 4 Cb -0.15 -3.81 0.71 0.00 1.34 0.00 0.00 72.50 70.59 1tsu s THR 4 CO -0.05 -0.47 1.78 0.18 -0.54 0.00 0.00 174.62 175.52 1tsu n LEU 5 N -1.44 5.91 0.05 4.79 4.77 -1.26 -4.46 117.00 125.36 1tsu n LEU 5 Ca -0.03 -3.32 -0.04 0.00 -0.03 0.00 0.00 56.01 52.59 1tsu n LEU 5 Cb 0.55 -0.74 0.18 0.00 -2.33 0.00 0.00 43.42 41.08 1tsu n LEU 5 CO 0.49 0.87 0.64 -0.50 -1.33 0.00 0.00 177.39 177.56 1tsu h TRP 6 N 2.24 0.43 -2.21 -1.77 6.55 -2.07 -3.43 115.95 115.69 1tsu h TRP 6 Ca 0.30 -0.12 -0.57 0.00 0.95 0.00 0.00 58.89 59.45 1tsu h TRP 6 Cb 2.31 -0.10 -0.11 0.00 -0.86 0.00 0.00 29.16 30.41 1tsu h TRP 6 CO 1.27 0.71 -0.68 0.15 -1.05 0.00 0.00 178.44 178.84 1tsu s LYS 7 N -4.21 2.13 0.29 0.49 -0.14 -1.26 -5.10 119.74 111.94 1tsu s LYS 7 Ca -0.06 -1.51 -0.30 0.00 -1.36 0.00 0.00 55.97 52.74 1tsu s LYS 7 Cb 0.13 -2.06 -0.12 0.00 -1.68 0.00 0.00 37.83 34.10 1tsu s LYS 7 CO 0.79 0.36 1.47 0.54 -0.76 0.00 0.00 175.35 177.75 1tsu n ARG 8 N -0.81 2.37 -1.89 1.68 1.74 -1.26 -4.88 116.66 113.60 1tsu n ARG 8 Ca -0.06 0.84 -0.42 0.00 -0.77 0.00 0.00 57.85 57.44 1tsu n ARG 8 Cb 0.59 -2.54 -0.00 0.00 -1.02 0.00 0.00 32.46 29.49 1tsu n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1tsu n PRO 9 N 1.71 2.88 -3.32 5.56 -0.04 -1.26 -4.94 135.00 135.59 1tsu n PRO 9 Ca 0.08 -2.72 -0.38 0.00 -0.04 0.00 0.00 63.50 60.44 1tsu n PRO 9 Cb 0.35 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.42 1tsu n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1tsu s LEU 10 N 2.65 4.46 0.08 1.53 1.43 -1.26 -0.73 118.68 126.84 1tsu s LEU 10 Ca 0.49 1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 54.69 1tsu s LEU 10 Cb 0.12 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 1tsu s LEU 10 CO -0.05 0.22 0.01 0.68 0.23 0.00 0.00 176.35 177.44 1tsu s VAL 11 N -0.70 0.18 -0.03 -1.59 -7.23 0.31 -4.93 120.40 106.40 1tsu s VAL 11 Ca 0.28 -1.80 -0.20 0.00 -1.81 0.00 0.00 61.98 58.45 1tsu s VAL 11 Cb -0.18 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 1tsu s VAL 11 CO 0.16 -0.80 0.55 -0.89 -0.31 0.00 0.00 175.10 173.81 1tsu s THR 12 N -3.96 5.00 0.18 5.32 2.01 -1.26 -0.72 115.64 122.21 1tsu s THR 12 Ca 0.12 1.15 0.11 0.00 0.31 0.00 0.00 61.69 63.38 1tsu s THR 12 Cb 0.08 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1tsu s THR 12 CO -0.06 0.40 -0.24 0.27 -0.69 0.00 0.00 174.62 174.30 1tsu s ILE 13 N -0.02 2.30 -0.14 1.82 -4.36 0.27 -2.61 121.20 118.46 1tsu s ILE 13 Ca 0.29 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.73 1tsu s ILE 13 Cb -0.17 -2.08 -0.00 0.00 1.25 0.00 0.00 42.46 41.46 1tsu s ILE 13 CO 0.15 -0.09 -0.17 -0.60 0.24 0.00 0.00 174.94 174.47 1tsu s ARG 14 N -2.55 3.19 -0.10 0.37 3.52 -0.62 -0.59 118.95 122.17 1tsu s ARG 14 Ca 0.19 -0.78 -0.04 0.00 -0.13 0.00 0.00 55.73 54.97 1tsu s ARG 14 Cb -0.08 -2.54 0.05 0.00 -1.56 0.00 0.00 34.95 30.82 1tsu s ARG 14 CO 0.09 0.09 0.20 -1.50 -0.81 0.00 0.00 175.30 173.37 1tsu s ILE 15 N 0.62 -0.22 -1.36 4.11 2.07 0.01 -1.64 121.20 124.80 1tsu s ILE 15 Ca -0.10 0.26 -0.06 0.00 -1.41 0.00 0.00 60.65 59.34 1tsu s ILE 15 Cb -0.16 -0.34 0.03 0.00 0.13 0.00 0.00 42.46 42.11 1tsu s ILE 15 CO 0.03 0.11 0.99 0.61 -1.91 0.00 0.00 174.94 174.76 1tsu n GLY 16 N 4.88 -0.44 3.95 1.50 0.00 -1.26 -1.31 105.19 112.51 1tsu n GLY 16 Ca -0.14 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1tsu n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tsu n GLY 17 N -1.64 1.64 3.82 -0.02 0.00 -1.26 -4.99 105.19 102.74 1tsu n GLY 17 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1tsu n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tsu s GLN 18 N 0.00 3.89 -0.09 1.61 -0.21 -0.43 -5.08 119.66 119.35 1tsu s GLN 18 Ca 0.00 0.21 -0.11 0.00 0.02 0.00 0.00 55.36 55.48 1tsu s GLN 18 Cb 0.00 -3.27 -0.05 0.00 1.00 0.00 0.00 33.01 30.70 1tsu s GLN 18 CO 0.00 0.59 0.25 -0.51 -2.12 0.00 0.00 175.29 173.50 1tsu s LEU 19 N -0.66 4.39 0.08 2.90 1.43 -1.26 -0.81 118.68 124.75 1tsu s LEU 19 Ca 0.20 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 1tsu s LEU 19 Cb -0.15 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1tsu s LEU 19 CO 0.09 0.33 -0.05 -0.54 0.23 0.00 0.00 176.35 176.41 1tsu s LYS 20 N -0.76 0.74 -0.19 1.70 1.02 0.24 -4.99 119.74 117.49 1tsu s LYS 20 Ca 0.18 -1.29 -0.13 0.00 0.02 0.00 0.00 55.97 54.75 1tsu s LYS 20 Cb -0.14 -0.01 -0.05 0.00 -0.52 0.00 0.00 37.83 37.12 1tsu s LYS 20 CO 0.07 -0.07 0.25 -1.21 -0.92 0.00 0.00 175.35 173.47 1tsu s GLU 21 N -3.88 4.19 0.10 1.68 0.41 -1.26 -0.56 118.70 119.38 1tsu s GLU 21 Ca 0.10 -0.02 0.03 0.00 -0.41 0.00 0.00 54.97 54.67 1tsu s GLU 21 Cb 0.07 -3.47 -0.04 0.00 -1.78 0.00 0.00 34.13 28.90 1tsu s GLU 21 CO -0.07 0.15 -0.09 0.00 -0.49 0.00 0.00 175.26 174.77 1tsu s ALA 22 N 0.75 1.10 -0.21 5.21 0.00 0.10 -4.35 121.76 124.37 1tsu s ALA 22 Ca 0.13 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 1tsu s ALA 22 Cb -0.13 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1tsu s ALA 22 CO 0.04 -0.11 0.09 -1.17 0.00 0.00 0.00 175.76 174.60 1tsu s LEU 23 N -2.74 3.80 -0.54 0.00 2.96 0.16 -0.53 118.68 121.78 1tsu s LEU 23 Ca 0.09 0.02 -0.28 0.00 -0.22 0.00 0.00 54.13 53.74 1tsu s LEU 23 Cb 0.01 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.71 1tsu s LEU 23 CO -0.01 0.09 1.54 -0.76 -1.32 0.00 0.00 176.35 175.88 1tsu s LEU 24 N 0.88 3.39 -0.59 -0.68 1.43 0.09 -0.52 118.68 122.69 1tsu s LEU 24 Ca 0.05 0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.51 1tsu s LEU 24 Cb -0.13 -3.02 0.15 0.00 0.03 0.00 0.00 46.19 43.22 1tsu s LEU 24 CO 0.03 -1.82 0.42 0.21 0.23 0.00 0.00 176.35 175.41 1tsu s ASN 25 N 5.24 5.45 0.00 2.29 3.84 -0.45 -4.81 114.94 126.50 1tsu s ASN 25 Ca 0.58 -2.57 0.16 0.00 0.21 0.00 0.00 52.86 51.24 1tsu s ASN 25 Cb -0.12 -1.90 0.80 0.00 -0.55 0.00 0.00 41.25 39.47 1tsu s ASN 25 CO 0.25 -0.46 1.46 0.35 -2.79 0.00 0.00 177.10 175.91 1tsu n THR 26 N 3.91 0.55 0.42 -5.21 -2.24 -1.26 -2.26 114.28 108.19 1tsu n THR 26 Ca 0.05 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 1tsu n THR 26 Cb 0.40 -0.87 0.21 0.00 -2.10 0.00 0.00 70.33 67.96 1tsu n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tsu n GLY 27 N 0.07 1.61 3.43 3.38 0.00 -1.26 -4.86 105.19 107.56 1tsu n GLY 27 Ca 0.07 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1tsu n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tsu s ALA 28 N -1.56 2.98 0.18 4.61 0.00 -0.96 -5.01 121.76 121.99 1tsu s ALA 28 Ca 0.38 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1tsu s ALA 28 Cb 0.22 -1.71 0.07 0.00 0.00 0.00 0.00 23.12 21.71 1tsu s ALA 28 CO 0.32 -0.12 1.68 -0.44 0.00 0.00 0.00 175.76 177.20 1tsu h ASP 29 N 7.43 0.95 -2.04 0.00 3.32 -1.89 0.16 116.42 124.35 1tsu h ASP 29 Ca -0.35 -0.24 -0.57 0.00 0.02 0.00 0.00 57.03 55.88 1tsu h ASP 29 Cb 1.18 -0.25 -0.10 0.00 0.22 0.00 0.00 39.33 40.38 1tsu h ASP 29 CO 0.61 0.95 -0.63 -1.81 -1.72 0.00 0.00 179.24 176.64 1tsu s ASP 30 N -6.34 4.34 -0.23 6.45 1.01 -1.26 -1.93 116.67 118.71 1tsu s ASP 30 Ca -0.12 -0.83 -0.12 0.00 0.71 0.00 0.00 52.55 52.18 1tsu s ASP 30 Cb 0.13 -0.66 -0.05 0.00 1.01 0.00 0.00 42.92 43.36 1tsu s ASP 30 CO 0.83 -0.14 0.24 -0.89 0.21 0.00 0.00 175.17 175.42 1tsu s THR 31 N -2.43 5.31 -0.11 -1.27 2.01 -1.26 -3.03 115.64 114.85 1tsu s THR 31 Ca 0.34 0.35 -0.00 0.00 0.31 0.00 0.00 61.69 62.68 1tsu s THR 31 Cb -0.03 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 68.93 1tsu s THR 31 CO 0.20 0.32 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.68 1tsu s VAL 32 N 1.13 1.04 0.24 3.82 1.01 -0.89 -0.90 120.40 125.84 1tsu s VAL 32 Ca 0.11 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1tsu s VAL 32 Cb -0.14 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1tsu s VAL 32 CO 0.05 0.37 0.03 -0.76 0.00 0.00 0.00 175.10 174.79 1tsu s LEU 33 N 1.70 3.32 0.67 3.92 1.43 0.01 -1.14 118.68 128.60 1tsu s LEU 33 Ca 0.05 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 1tsu s LEU 33 Cb -0.13 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1tsu s LEU 33 CO -0.08 0.02 1.09 -1.83 0.23 0.00 0.00 176.35 175.78 1tsu s GLU 34 N -3.48 2.78 -0.12 1.70 -1.05 -1.26 -0.87 118.70 116.40 1tsu s GLU 34 Ca 0.30 1.28 -0.25 0.00 -0.15 0.00 0.00 54.97 56.15 1tsu s GLU 34 Cb -0.07 -1.96 -0.12 0.00 -0.44 0.00 0.00 34.13 31.54 1tsu s GLU 34 CO 0.20 -1.25 0.76 0.39 0.95 0.00 0.00 175.26 176.32 1tsu n GLU 35 N -2.63 0.00 -3.54 -4.83 -0.58 -1.17 -4.64 120.64 103.26 1tsu n GLU 35 Ca 0.10 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.76 1tsu n GLU 35 Cb 0.52 -0.89 -0.02 0.00 -0.57 0.00 0.00 31.44 30.48 1tsu n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1tsu s MET 36 N 0.74 0.64 0.23 3.49 0.23 -1.26 -5.05 119.30 118.32 1tsu s MET 36 Ca 0.57 -0.22 -0.05 0.00 -1.03 0.00 0.00 55.69 54.96 1tsu s MET 36 Cb -0.81 0.30 -0.06 0.00 -1.53 0.00 0.00 34.83 32.73 1tsu s MET 36 CO 0.40 -0.28 0.49 -0.80 -2.03 0.00 0.00 175.02 172.80 1tsu s ASN 37 N -2.32 6.49 0.13 -1.18 -0.87 -1.26 -5.02 114.94 110.92 1tsu s ASN 37 Ca 0.06 0.69 -0.10 0.00 -1.57 0.00 0.00 52.86 51.94 1tsu s ASN 37 Cb -0.01 -2.13 -0.00 0.00 -0.02 0.00 0.00 41.25 39.09 1tsu s ASN 37 CO -0.07 -0.09 0.27 -0.76 -2.57 0.00 0.00 177.10 173.88 1tsu s LEU 38 N -3.13 1.06 -0.36 0.60 1.43 -1.26 -5.09 118.68 111.93 1tsu s LEU 38 Ca 0.43 -0.72 -0.28 0.00 -1.03 0.00 0.00 54.13 52.53 1tsu s LEU 38 Cb -0.11 1.22 -0.03 0.00 0.03 0.00 0.00 46.19 47.30 1tsu s LEU 38 CO 0.26 -0.83 1.91 -2.84 0.23 0.00 0.00 176.35 175.08 1tsu s PRO 39 N -3.91 3.13 0.00 1.29 0.01 -1.26 -4.92 135.00 129.34 1tsu s PRO 39 Ca 0.11 1.41 0.00 0.00 0.01 0.00 0.00 61.00 62.53 1tsu s PRO 39 Cb 0.04 -4.27 0.00 0.00 0.01 0.00 0.00 34.50 30.27 1tsu s PRO 39 CO -0.06 -2.10 0.00 0.41 0.01 0.00 0.00 177.00 175.26 1tsu n GLY 40 N 5.55 -1.59 3.88 0.52 0.00 -1.26 -4.97 105.19 107.31 1tsu n GLY 40 Ca 0.24 -1.17 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 1tsu n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tsu s LYS 41 N -1.67 3.21 -0.09 1.61 0.00 -1.26 -5.12 119.74 116.42 1tsu s LYS 41 Ca 0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 55.97 55.16 1tsu s LYS 41 Cb 0.00 -2.85 0.03 0.00 0.00 0.00 0.00 37.83 35.01 1tsu s LYS 41 CO 0.00 0.53 0.36 1.67 0.00 0.00 0.00 175.35 177.91 1tsu s TRP 42 N -1.66 -0.33 -0.13 1.78 1.48 -1.26 -4.63 118.94 114.18 1tsu s TRP 42 Ca 0.33 0.72 -0.06 0.00 -1.06 0.00 0.00 56.10 56.03 1tsu s TRP 42 Cb -0.11 0.14 -0.04 0.00 -1.16 0.00 0.00 33.47 32.29 1tsu s TRP 42 CO 0.26 -0.29 0.07 -1.59 -4.06 0.00 0.00 176.95 171.34 1tsu s LYS 43 N -0.47 3.53 0.26 3.25 0.00 -0.93 -4.89 119.74 120.50 1tsu s LYS 43 Ca -0.06 -0.28 -0.23 0.00 0.00 0.00 0.00 55.97 55.39 1tsu s LYS 43 Cb -0.04 -3.10 -0.09 0.00 0.00 0.00 0.00 37.83 34.61 1tsu s LYS 43 CO 0.02 0.57 0.84 -1.25 0.00 0.00 0.00 175.35 175.53 1tsu s PRO 44 N -0.45 4.45 0.27 1.78 0.04 -1.26 -1.58 135.00 138.25 1tsu s PRO 44 Ca 0.10 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.28 1tsu s PRO 44 Cb -0.12 -2.89 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 1tsu s PRO 44 CO 0.02 0.36 0.09 0.15 0.04 0.00 0.00 177.00 177.66 1tsu s LYS 45 N -1.92 1.47 -0.03 4.56 1.02 -0.96 -4.94 119.74 118.95 1tsu s LYS 45 Ca 0.46 -1.80 0.05 0.00 0.02 0.00 0.00 55.97 54.70 1tsu s LYS 45 Cb -0.18 -0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 36.73 1tsu s LYS 45 CO 0.23 -0.28 -0.18 -1.64 -0.92 0.00 0.00 175.35 172.57 1tsu s MET 46 N -4.00 1.60 0.15 1.68 -1.94 -1.26 -2.25 119.30 113.28 1tsu s MET 46 Ca 0.37 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.77 1tsu s MET 46 Cb 0.08 -1.47 -0.04 0.00 2.01 0.00 0.00 34.83 35.40 1tsu s MET 46 CO 0.14 0.32 -0.09 0.96 -0.01 0.00 0.00 175.02 176.34 1tsu s ILE 47 N -0.20 1.10 0.19 2.53 -4.36 -0.87 -5.01 121.20 114.57 1tsu s ILE 47 Ca 0.02 -2.05 0.08 0.00 -0.26 0.00 0.00 60.65 58.44 1tsu s ILE 47 Cb -0.09 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.71 1tsu s ILE 47 CO 0.01 -0.73 -0.15 -0.83 0.24 0.00 0.00 174.94 173.47 1tsu s GLY 48 N -3.16 1.39 0.00 6.27 0.00 -1.26 -1.26 107.32 109.31 1tsu s GLY 48 Ca 0.17 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.30 1tsu s GLY 48 CO 0.00 -1.68 0.00 0.61 0.00 0.00 0.00 173.10 172.04 1tsu n GLY 49 N -0.16 5.35 0.30 0.20 0.00 0.39 -4.95 105.19 106.31 1tsu n GLY 49 Ca -0.10 -1.29 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 1tsu n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1tsu h ILE 50 N 0.00 1.22 0.15 -0.61 3.07 -2.01 -2.96 117.51 116.36 1tsu h ILE 50 Ca 0.00 -0.79 -0.29 0.00 1.55 0.00 0.00 64.86 65.33 1tsu h ILE 50 Cb 0.00 0.70 0.02 0.00 -0.27 0.00 0.00 36.82 37.26 1tsu h ILE 50 CO 0.00 0.29 -1.27 1.23 -1.05 0.00 0.00 178.15 177.35 1tsu h GLY 51 N 0.94 0.48 0.00 0.16 0.00 -2.03 -3.51 103.07 99.12 1tsu h GLY 51 Ca 0.17 -1.12 0.00 0.00 0.00 0.00 0.00 47.33 46.37 1tsu h GLY 51 CO -0.00 0.99 0.00 0.61 0.00 0.00 0.00 176.54 178.13 1tsu n GLY 52 N 1.48 -0.25 2.77 4.60 0.00 -1.12 -5.10 105.19 107.58 1tsu n GLY 52 Ca -0.11 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 1tsu n GLY 52 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1tsu n PHE 53 N 0.15 2.83 -1.23 1.61 7.35 -1.26 0.15 117.46 127.05 1tsu n PHE 53 Ca 0.00 -3.17 -0.30 0.00 -0.76 0.00 0.00 57.45 53.23 1tsu n PHE 53 Cb 0.00 -0.98 0.14 0.00 0.35 0.00 0.00 39.48 38.99 1tsu n PHE 53 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 1tsu s ILE 54 N -2.90 2.67 -0.17 -2.13 -4.36 -0.39 -4.69 121.20 109.24 1tsu s ILE 54 Ca 0.35 0.22 -0.09 0.00 -0.26 0.00 0.00 60.65 60.87 1tsu s ILE 54 Cb 0.10 -2.72 -0.05 0.00 1.25 0.00 0.00 42.46 41.05 1tsu s ILE 54 CO 0.04 -0.28 0.14 -0.54 0.24 0.00 0.00 174.94 174.54 1tsu s LYS 55 N -4.95 3.93 0.21 0.37 1.02 -1.26 -2.06 119.74 117.00 1tsu s LYS 55 Ca 0.63 -0.17 0.03 0.00 0.02 0.00 0.00 55.97 56.48 1tsu s LYS 55 Cb -0.18 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 1tsu s LYS 55 CO 0.57 0.47 0.00 0.14 -0.92 0.00 0.00 175.35 175.61 1tsu s VAL 56 N -0.13 0.89 -0.20 3.17 -7.23 -0.95 -4.51 120.40 111.43 1tsu s VAL 56 Ca 0.11 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 1tsu s VAL 56 Cb -0.11 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1tsu s VAL 56 CO 0.00 -0.36 0.05 -0.13 -0.31 0.00 0.00 175.10 174.35 1tsu s ARG 57 N -3.89 3.81 -0.39 4.82 0.52 0.72 -2.26 118.95 122.29 1tsu s ARG 57 Ca 0.27 -0.42 -0.15 0.00 -0.52 0.00 0.00 55.73 54.91 1tsu s ARG 57 Cb 0.06 -3.19 0.01 0.00 0.52 0.00 0.00 34.95 32.35 1tsu s ARG 57 CO 0.07 0.12 0.33 -1.14 0.02 0.00 0.00 175.30 174.70 1tsu s GLN 58 N 0.77 3.20 -0.19 3.54 0.74 -0.61 -0.32 119.66 126.78 1tsu s GLN 58 Ca 0.02 -0.79 -0.12 0.00 0.05 0.00 0.00 55.36 54.52 1tsu s GLN 58 Cb -0.14 -3.92 -0.05 0.00 1.10 0.00 0.00 33.01 30.01 1tsu s GLN 58 CO 0.02 -0.68 0.21 0.71 -0.55 0.00 0.00 175.29 175.01 1tsu s TYR 59 N 1.84 3.41 0.22 1.67 1.51 -0.30 -2.19 117.35 123.51 1tsu s TYR 59 Ca 0.08 0.43 0.00 0.00 -1.01 0.00 0.00 57.07 56.57 1tsu s TYR 59 Cb -0.18 -2.27 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 1tsu s TYR 59 CO 0.11 0.22 0.40 -0.51 -1.11 0.00 0.00 175.55 174.66 1tsu s ASP 60 N 0.55 6.36 -1.37 2.29 1.01 -1.26 -0.78 116.67 123.48 1tsu s ASP 60 Ca 0.12 0.36 -0.02 0.00 0.71 0.00 0.00 52.55 53.72 1tsu s ASP 60 Cb -0.12 -1.99 -0.00 0.00 1.01 0.00 0.00 42.92 41.82 1tsu s ASP 60 CO 0.02 -0.07 0.49 0.00 0.21 0.00 0.00 175.17 175.81 1tsu n GLN 61 N -0.88 -3.41 -4.12 8.23 6.02 -1.21 -4.85 117.38 117.16 1tsu n GLN 61 Ca -0.05 0.44 -0.34 0.00 -0.01 0.00 0.00 57.00 57.03 1tsu n GLN 61 Cb 0.54 -4.60 -0.10 0.00 1.02 0.00 0.00 30.24 27.11 1tsu n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1tsu s ILE 62 N -3.88 4.55 0.16 5.09 -1.09 -0.17 -4.73 121.20 121.13 1tsu s ILE 62 Ca 0.03 -0.12 -0.30 0.00 -2.23 0.00 0.00 60.65 58.03 1tsu s ILE 62 Cb -0.01 -3.03 -0.07 0.00 -1.58 0.00 0.00 42.46 37.77 1tsu s ILE 62 CO 0.87 0.48 1.06 -2.84 -1.23 0.00 0.00 174.94 173.28 1tsu s PRO 63 N 0.28 4.63 -0.03 2.79 0.02 -1.26 -2.27 135.00 139.15 1tsu s PRO 63 Ca 0.02 1.63 -0.01 0.00 0.02 0.00 0.00 61.00 62.66 1tsu s PRO 63 Cb -0.13 -3.31 0.03 0.00 0.02 0.00 0.00 34.50 31.12 1tsu s PRO 63 CO 0.01 0.12 0.07 0.08 -0.33 0.00 0.00 177.00 176.94 1tsu s VAL 64 N -0.15 -0.05 -0.26 3.83 1.01 0.46 -4.36 120.40 120.88 1tsu s VAL 64 Ca 0.49 0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.58 1tsu s VAL 64 Cb -0.27 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1tsu s VAL 64 CO 0.33 0.08 0.11 -0.70 0.00 0.00 0.00 175.10 174.92 1tsu s GLU 65 N 1.06 3.77 -0.30 2.72 2.12 -0.65 -0.39 118.70 127.03 1tsu s GLU 65 Ca -0.09 -0.42 -0.04 0.00 0.36 0.00 0.00 54.97 54.79 1tsu s GLU 65 Cb -0.12 -3.43 0.04 0.00 0.26 0.00 0.00 34.13 30.87 1tsu s GLU 65 CO -0.04 -0.16 0.03 0.42 -0.54 0.00 0.00 175.26 174.97 1tsu s ILE 66 N 1.60 3.35 -1.61 -3.70 1.01 0.53 -1.58 121.20 120.80 1tsu s ILE 66 Ca 0.06 -1.16 -0.16 0.00 0.00 0.00 0.00 60.65 59.39 1tsu s ILE 66 Cb -0.15 -2.86 0.12 0.00 0.01 0.00 0.00 42.46 39.58 1tsu s ILE 66 CO 0.06 -0.06 0.90 0.00 0.00 0.00 0.00 174.94 175.84 1tsu n GLY 68 N -1.55 1.01 3.72 0.00 0.00 -1.26 -5.01 105.19 102.10 1tsu n GLY 68 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1tsu n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tsu s HIS 69 N -3.19 3.56 -0.10 1.61 4.02 -0.08 -5.04 115.29 116.08 1tsu s HIS 69 Ca 0.00 1.10 -0.23 0.00 1.02 0.00 0.00 55.06 56.94 1tsu s HIS 69 Cb 0.00 -2.68 -0.03 0.00 -1.02 0.00 0.00 32.58 28.85 1tsu s HIS 69 CO 0.00 0.15 0.71 -1.59 1.02 0.00 0.00 174.74 175.03 1tsu s LYS 70 N 0.62 4.39 0.17 1.40 0.00 -1.26 -0.35 119.74 124.70 1tsu s LYS 70 Ca 0.32 0.86 0.07 0.00 0.00 0.00 0.00 55.97 57.22 1tsu s LYS 70 Cb -0.17 -3.48 -0.04 0.00 0.00 0.00 0.00 37.83 34.14 1tsu s LYS 70 CO 0.15 -0.03 -0.14 0.00 0.00 0.00 0.00 175.35 175.33 1tsu s ALA 71 N 1.15 1.78 -0.23 0.59 0.00 0.47 -4.66 121.76 120.86 1tsu s ALA 71 Ca 0.36 -1.53 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 1tsu s ALA 71 Cb -0.17 -0.06 0.12 0.00 0.00 0.00 0.00 23.12 23.00 1tsu s ALA 71 CO 0.16 0.05 0.31 0.42 0.00 0.00 0.00 175.76 176.70 1tsu s ILE 72 N -2.80 -0.48 0.00 0.00 1.01 -1.26 -0.40 121.20 117.27 1tsu s ILE 72 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1tsu s ILE 72 Cb -0.01 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.70 1tsu s ILE 72 CO 0.05 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.43 1tsu n GLY 73 N 5.34 1.17 3.76 6.18 0.00 -0.96 -4.80 105.19 115.88 1tsu n GLY 73 Ca -0.04 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1tsu n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tsu s THR 74 N -2.39 2.61 -0.05 2.61 2.01 -1.26 -1.00 115.64 118.18 1tsu s THR 74 Ca 0.00 0.57 -0.02 0.00 0.31 0.00 0.00 61.69 62.55 1tsu s THR 74 Cb 0.00 -3.36 0.03 0.00 0.01 0.00 0.00 72.50 69.18 1tsu s THR 74 CO 0.00 0.12 0.08 -0.69 -0.69 0.00 0.00 174.62 173.44 1tsu s VAL 75 N -0.62 -0.13 -0.03 3.82 1.01 0.04 -4.57 120.40 119.93 1tsu s VAL 75 Ca 0.54 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.84 1tsu s VAL 75 Cb -0.41 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1tsu s VAL 75 CO 0.50 0.15 0.20 -0.76 0.00 0.00 0.00 175.10 175.19 1tsu s LEU 76 N 1.95 4.38 -0.08 3.92 1.43 -0.08 -1.15 118.68 129.04 1tsu s LEU 76 Ca 0.01 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 1tsu s LEU 76 Cb -0.12 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.59 1tsu s LEU 76 CO -0.04 0.29 -0.15 -0.69 0.23 0.00 0.00 176.35 175.99 1tsu s VAL 77 N -1.26 1.42 0.00 -1.59 1.01 0.56 -0.81 120.40 119.74 1tsu s VAL 77 Ca 0.25 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1tsu s VAL 77 Cb -0.13 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1tsu s VAL 77 CO 0.15 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1tsu n GLY 78 N 3.88 0.87 2.62 4.51 0.00 -0.05 -0.20 105.19 116.83 1tsu n GLY 78 Ca -0.21 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1tsu n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tsu n PRO 79 N 0.00 2.57 -3.82 1.61 -0.04 -1.26 -3.04 135.00 131.02 1tsu n PRO 79 Ca 0.00 -1.91 -0.36 0.00 -0.04 0.00 0.00 63.50 61.19 1tsu n PRO 79 Cb 0.00 -2.76 -0.07 0.00 -0.04 0.00 0.00 33.50 30.64 1tsu n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1tsu s THR 80 N 3.29 5.47 0.53 0.52 -1.32 -1.26 -4.98 115.64 117.88 1tsu s THR 80 Ca 0.52 0.21 0.23 0.00 -1.21 0.00 0.00 61.69 61.44 1tsu s THR 80 Cb 0.14 -3.43 0.36 0.00 -1.51 0.00 0.00 72.50 68.06 1tsu s THR 80 CO -0.02 0.55 2.05 -0.65 -2.21 0.00 0.00 174.62 174.33 1tsu h PRO 81 N 5.65 0.00 -2.99 7.08 0.11 -1.98 -3.44 132.00 136.44 1tsu h PRO 81 Ca -0.49 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1tsu h PRO 81 Cb 1.20 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.14 1tsu h PRO 81 CO 0.65 0.00 -0.10 0.54 -0.21 0.00 0.00 178.00 178.88 1tsu s VAL 82 N -5.00 0.05 0.16 3.15 0.11 -1.26 -5.11 120.40 112.51 1tsu s VAL 82 Ca -0.05 -0.44 -0.31 0.00 -2.93 0.00 0.00 61.98 58.25 1tsu s VAL 82 Cb 0.19 -0.93 -0.10 0.00 -1.53 0.00 0.00 36.38 34.01 1tsu s VAL 82 CO 0.70 -0.24 1.53 0.20 -3.33 0.00 0.00 175.10 173.96 1tsu s ASN 83 N -1.93 6.63 -0.13 3.54 0.01 -1.26 -4.71 114.94 117.08 1tsu s ASN 83 Ca -0.06 2.57 0.02 0.00 -0.71 0.00 0.00 52.86 54.68 1tsu s ASN 83 Cb -0.01 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.07 1tsu s ASN 83 CO -0.01 -0.79 -0.19 -0.63 -1.51 0.00 0.00 177.10 173.96 1tsu s ILE 84 N 1.09 1.83 -0.36 0.60 1.01 -0.29 0.38 121.20 125.45 1tsu s ILE 84 Ca 0.69 -0.83 -0.18 0.00 0.00 0.00 0.00 60.65 60.32 1tsu s ILE 84 Cb -0.43 -1.64 -0.00 0.00 0.01 0.00 0.00 42.46 40.40 1tsu s ILE 84 CO 0.31 0.50 0.51 -0.63 0.00 0.00 0.00 174.94 175.64 1tsu s ILE 85 N 0.97 5.02 0.76 2.92 -1.09 0.33 -2.10 121.20 128.01 1tsu s ILE 85 Ca -0.05 0.27 -0.02 0.00 -2.23 0.00 0.00 60.65 58.63 1tsu s ILE 85 Cb -0.15 -3.97 0.15 0.00 -1.58 0.00 0.00 42.46 36.91 1tsu s ILE 85 CO -0.04 -0.24 1.04 -0.83 -1.23 0.00 0.00 174.94 173.65 1tsu s GLY 86 N 1.77 1.75 0.47 6.18 0.00 -1.17 -1.35 107.32 114.98 1tsu s GLY 86 Ca 0.18 -1.81 0.17 0.00 0.00 0.00 0.00 44.72 43.26 1tsu s GLY 86 CO 0.13 -1.18 2.01 3.21 0.00 0.00 0.00 173.10 177.28 1tsu h ARG 87 N -0.67 0.24 -0.91 2.90 3.08 -0.59 -1.56 114.38 116.87 1tsu h ARG 87 Ca -0.35 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 59.80 1tsu h ARG 87 Cb 1.26 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 31.17 1tsu h ARG 87 CO 0.37 0.16 0.53 -2.95 -1.07 0.00 0.00 179.97 177.02 1tsu h ASN 88 N 0.25 0.76 0.50 7.04 -0.00 -1.65 -1.54 115.58 120.93 1tsu h ASN 88 Ca 0.22 0.06 -0.29 0.00 -0.00 0.00 0.00 56.30 56.29 1tsu h ASN 88 Cb 0.55 -0.09 -0.04 0.00 -0.00 0.00 0.00 38.32 38.74 1tsu h ASN 88 CO -0.04 0.40 -1.66 -0.07 -0.00 0.00 0.00 177.43 176.06 1tsu h LEU 89 N 0.85 0.07 -1.02 6.14 3.38 -1.71 -3.36 115.31 119.66 1tsu h LEU 89 Ca 0.45 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 1tsu h LEU 89 Cb 0.47 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1tsu h LEU 89 CO -0.28 1.12 0.25 -0.07 0.09 0.00 0.00 178.44 179.56 1tsu h LEU 90 N 0.01 0.88 -0.73 1.67 3.38 -1.10 -2.59 115.31 116.83 1tsu h LEU 90 Ca -0.27 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 1tsu h LEU 90 Cb 1.99 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.50 1tsu h LEU 90 CO 0.09 0.79 -0.07 0.71 0.09 0.00 0.00 178.44 180.05 1tsu h THR 91 N 0.94 1.26 -0.02 0.22 1.35 -1.44 -1.88 112.91 113.33 1tsu h THR 91 Ca 0.22 -1.17 -0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1tsu h THR 91 Cb 0.19 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1tsu h THR 91 CO -0.02 0.41 -0.01 1.56 -0.25 0.00 0.00 175.52 177.21 1tsu h GLN 92 N 0.82 0.03 -0.72 4.72 4.20 -1.61 -0.49 115.11 122.06 1tsu h GLN 92 Ca 0.14 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1tsu h GLN 92 Cb 0.58 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1tsu h GLN 92 CO 0.04 0.04 0.00 0.44 -0.67 0.00 0.00 178.83 178.68 1tsu n ILE 93 N -4.51 1.12 -3.28 2.54 -5.35 -1.16 -4.90 119.36 103.82 1tsu n ILE 93 Ca -0.03 -1.01 -0.21 0.00 -0.27 0.00 0.00 62.75 61.23 1tsu n ILE 93 Cb 0.11 0.42 0.06 0.00 -1.74 0.00 0.00 39.64 38.49 1tsu n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tsu n GLY 94 N 1.57 -0.40 3.71 3.28 0.00 -0.19 -4.99 105.19 108.17 1tsu n GLY 94 Ca 0.25 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 1tsu n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tsu s THR 96 N 1.01 1.18 -0.15 0.00 -4.23 -1.26 -4.70 115.64 107.48 1tsu s THR 96 Ca 0.53 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 1tsu s THR 96 Cb -0.22 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 1tsu s THR 96 CO 0.28 -0.16 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.96 1tsu s LEU 97 N -3.41 3.33 0.02 4.79 2.96 -1.26 -5.09 118.68 120.03 1tsu s LEU 97 Ca 0.33 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 1tsu s LEU 97 Cb 0.07 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1tsu s LEU 97 CO 0.13 0.19 -0.08 0.20 -1.32 0.00 0.00 176.35 175.47 1tsu s ASN 98 N 0.24 0.92 0.00 3.68 0.01 -1.26 -5.31 114.94 113.23 1tsu s ASN 98 Ca -0.02 -0.35 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 1tsu s ASN 98 Cb -0.14 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.49 1tsu s ASN 98 CO 0.03 -0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.79