#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3r s GLN 2 N 0.00 3.63 -0.28 0.54 0.74 -1.26 -5.09 119.66 117.94 1t3r s GLN 2 Ca 0.00 -0.53 -0.03 0.00 0.05 0.00 0.00 55.36 54.84 1t3r s GLN 2 Cb 0.00 -2.96 0.03 0.00 1.10 0.00 0.00 33.01 31.18 1t3r s GLN 2 CO 0.00 0.14 0.00 0.42 -0.55 0.00 0.00 175.29 175.31 1t3r s ILE 3 N 0.62 3.26 0.84 -2.34 1.01 -1.26 -5.10 121.20 118.23 1t3r s ILE 3 Ca -0.02 -1.01 -0.13 0.00 0.00 0.00 0.00 60.65 59.48 1t3r s ILE 3 Cb -0.14 -2.72 0.05 0.00 0.01 0.00 0.00 42.46 39.66 1t3r s ILE 3 CO 0.02 0.08 0.86 1.07 0.00 0.00 0.00 174.94 176.98 1t3r n THR 4 N 4.72 1.28 -0.71 2.92 5.66 -1.26 -5.00 114.28 121.89 1t3r n THR 4 Ca -0.15 -0.22 0.07 0.00 -3.05 0.00 0.00 64.05 60.70 1t3r n THR 4 Cb 0.46 -0.94 0.16 0.00 -1.55 0.00 0.00 70.33 68.46 1t3r n THR 4 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1t3r n LEU 5 N -2.28 2.87 0.00 1.09 4.77 -1.26 -4.51 117.00 117.69 1t3r n LEU 5 Ca 0.11 -2.70 0.04 0.00 -0.03 0.00 0.00 56.01 53.43 1t3r n LEU 5 Cb 0.51 -0.36 0.41 0.00 -2.33 0.00 0.00 43.42 41.66 1t3r n LEU 5 CO 0.49 0.66 1.14 -0.50 -1.33 0.00 0.00 177.39 177.86 1t3r h TRP 6 N 0.90 0.52 -2.50 -1.77 -0.00 -2.06 -3.43 115.95 107.61 1t3r h TRP 6 Ca 0.00 0.01 -0.52 0.00 -0.00 0.00 0.00 58.89 58.38 1t3r h TRP 6 Cb 1.01 -0.17 -0.14 0.00 -0.00 0.00 0.00 29.16 29.86 1t3r h TRP 6 CO 0.20 0.34 -0.60 -1.59 -0.00 0.00 0.00 178.44 176.79 1t3r s LYS 7 N -5.45 1.75 0.33 0.49 -2.85 -1.26 -5.11 119.74 107.63 1t3r s LYS 7 Ca -0.08 -1.98 -0.29 0.00 -1.00 0.00 0.00 55.97 52.61 1t3r s LYS 7 Cb 0.17 -1.05 -0.12 0.00 -2.06 0.00 0.00 37.83 34.78 1t3r s LYS 7 CO 0.73 -0.17 1.53 0.54 0.10 0.00 0.00 175.35 178.08 1t3r n ARG 8 N -0.78 2.64 -2.06 1.78 1.74 -1.26 -4.85 116.66 113.87 1t3r n ARG 8 Ca -0.03 0.93 -0.42 0.00 -0.77 0.00 0.00 57.85 57.55 1t3r n ARG 8 Cb 0.67 -2.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 1t3r n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1t3r n PRO 9 N 1.42 3.23 -3.03 5.56 -0.04 -1.26 -4.93 135.00 135.95 1t3r n PRO 9 Ca 0.06 -3.07 -0.40 0.00 -0.04 0.00 0.00 63.50 60.05 1t3r n PRO 9 Cb 0.37 -3.12 -0.05 0.00 -0.04 0.00 0.00 33.50 30.66 1t3r n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1t3r s LEU 10 N 1.15 4.38 0.19 1.53 1.43 -1.26 -1.10 118.68 125.00 1t3r s LEU 10 Ca 0.44 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.85 1t3r s LEU 10 Cb 0.11 -3.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.15 1t3r s LEU 10 CO -0.04 -0.04 0.02 0.68 0.23 0.00 0.00 176.35 177.20 1t3r s VAL 11 N 0.35 0.60 -0.01 -1.59 -7.23 -0.06 -4.90 120.40 107.56 1t3r s VAL 11 Ca 0.38 -1.98 -0.23 0.00 -1.81 0.00 0.00 61.98 58.34 1t3r s VAL 11 Cb -0.19 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 1t3r s VAL 11 CO 0.20 -0.38 0.69 -0.89 -0.31 0.00 0.00 175.10 174.41 1t3r s THR 12 N -3.71 4.91 0.26 5.32 2.01 -1.26 -0.88 115.64 122.28 1t3r s THR 12 Ca 0.27 1.44 0.09 0.00 0.31 0.00 0.00 61.69 63.80 1t3r s THR 12 Cb 0.06 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1t3r s THR 12 CO 0.06 0.34 -0.15 0.27 -0.69 0.00 0.00 174.62 174.44 1t3r s ILE 13 N 0.24 2.05 -0.09 1.82 -4.36 0.22 -1.60 121.20 119.48 1t3r s ILE 13 Ca 0.36 -2.27 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 1t3r s ILE 13 Cb -0.19 -2.26 0.01 0.00 1.25 0.00 0.00 42.46 41.27 1t3r s ILE 13 CO 0.19 -0.44 -0.17 -0.60 0.24 0.00 0.00 174.94 174.16 1t3r s ARG 14 N -3.60 2.33 -0.18 0.37 3.52 0.42 -0.56 118.95 121.25 1t3r s ARG 14 Ca 0.27 -0.62 -0.14 0.00 -0.13 0.00 0.00 55.73 55.12 1t3r s ARG 14 Cb -0.01 -1.86 0.05 0.00 -1.56 0.00 0.00 34.95 31.56 1t3r s ARG 14 CO 0.12 0.05 0.45 -1.50 -0.81 0.00 0.00 175.30 173.61 1t3r s ILE 15 N 0.66 -0.01 -1.51 4.11 -1.16 0.09 -0.07 121.20 123.31 1t3r s ILE 15 Ca -0.13 0.03 0.00 0.00 -0.51 0.00 0.00 60.65 60.04 1t3r s ILE 15 Cb -0.16 -0.64 0.00 0.00 0.61 0.00 0.00 42.46 42.26 1t3r s ILE 15 CO 0.04 0.01 0.00 0.61 -2.81 0.00 0.00 174.94 172.79 1t3r n GLY 16 N 3.39 -0.48 3.65 1.50 0.00 -1.26 -0.49 105.19 111.49 1t3r n GLY 16 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1t3r n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t3r n GLY 17 N -0.93 -0.47 3.43 -0.02 0.00 -1.26 -5.05 105.19 100.89 1t3r n GLY 17 Ca -0.21 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1t3r n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t3r s GLN 18 N -6.30 2.03 -0.05 1.61 -0.21 0.36 -5.13 119.66 111.97 1t3r s GLN 18 Ca 0.51 -1.00 -0.15 0.00 0.02 0.00 0.00 55.36 54.74 1t3r s GLN 18 Cb -0.28 -2.14 -0.05 0.00 1.00 0.00 0.00 33.01 31.54 1t3r s GLN 18 CO 0.62 0.54 0.40 -0.51 -2.12 0.00 0.00 175.29 174.22 1t3r s LEU 19 N -1.34 4.41 0.08 2.90 1.43 -1.26 -0.73 118.68 124.17 1t3r s LEU 19 Ca 0.14 0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 54.08 1t3r s LEU 19 Cb -0.10 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1t3r s LEU 19 CO 0.04 0.24 0.03 -0.54 0.23 0.00 0.00 176.35 176.35 1t3r s LYS 20 N -0.58 0.74 -0.16 1.70 1.02 0.28 -4.97 119.74 117.77 1t3r s LYS 20 Ca 0.23 -1.25 -0.11 0.00 0.02 0.00 0.00 55.97 54.86 1t3r s LYS 20 Cb -0.16 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.34 1t3r s LYS 20 CO 0.11 -0.18 0.19 -1.21 -0.92 0.00 0.00 175.35 173.35 1t3r s GLU 21 N -3.95 4.06 0.03 1.68 0.41 -1.26 -0.61 118.70 119.06 1t3r s GLU 21 Ca 0.12 -0.08 -0.05 0.00 -0.41 0.00 0.00 54.97 54.54 1t3r s GLU 21 Cb 0.07 -3.37 -0.01 0.00 -1.78 0.00 0.00 34.13 29.04 1t3r s GLU 21 CO -0.07 0.39 0.09 0.00 -0.49 0.00 0.00 175.26 175.18 1t3r s ALA 22 N 0.08 -0.09 0.00 5.21 0.00 -0.06 -4.42 121.76 122.48 1t3r s ALA 22 Ca 0.12 -0.49 -0.27 0.00 0.00 0.00 0.00 51.96 51.33 1t3r s ALA 22 Cb -0.12 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1t3r s ALA 22 CO 0.01 -0.29 0.87 -0.51 0.00 0.00 0.00 175.76 175.85 1t3r s LEU 23 N -1.94 4.38 -0.59 0.00 1.43 0.08 -0.88 118.68 121.16 1t3r s LEU 23 Ca -0.08 1.51 -0.28 0.00 -1.03 0.00 0.00 54.13 54.26 1t3r s LEU 23 Cb -0.03 -3.38 0.03 0.00 0.03 0.00 0.00 46.19 42.84 1t3r s LEU 23 CO -0.03 -0.15 1.20 -0.76 0.23 0.00 0.00 176.35 176.84 1t3r s LEU 24 N 0.66 3.43 -0.37 1.79 1.43 -0.26 -0.11 118.68 125.25 1t3r s LEU 24 Ca 0.45 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.65 1t3r s LEU 24 Cb -0.20 -3.12 0.11 0.00 0.03 0.00 0.00 46.19 43.00 1t3r s LEU 24 CO 0.25 -1.51 0.09 -0.62 0.23 0.00 0.00 176.35 174.78 1t3r s ASP 25 N 3.02 4.63 0.36 2.29 -1.08 -0.24 -4.81 116.67 120.84 1t3r s ASP 25 Ca 0.42 -2.26 0.27 0.00 -0.52 0.00 0.00 52.55 50.46 1t3r s ASP 25 Cb -0.07 -1.57 1.18 0.00 -1.46 0.00 0.00 42.92 41.00 1t3r s ASP 25 CO 0.25 -0.36 1.80 0.71 0.52 0.00 0.00 175.17 178.09 1t3r h THR 26 N 6.41 0.00 -0.00 1.71 1.35 -1.93 -2.49 112.91 117.96 1t3r h THR 26 Ca -0.05 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1t3r h THR 26 Cb 1.00 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1t3r h THR 26 CO 0.54 0.00 -0.11 0.61 -0.25 0.00 0.00 175.52 176.31 1t3r n GLY 27 N -0.27 -1.14 3.53 5.82 0.00 -1.26 -4.83 105.19 107.03 1t3r n GLY 27 Ca 0.01 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1t3r n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3r s ALA 28 N -2.64 3.25 0.14 4.61 0.00 -0.94 -4.99 121.76 121.20 1t3r s ALA 28 Ca 0.24 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 1t3r s ALA 28 Cb 0.20 -1.99 -0.00 0.00 0.00 0.00 0.00 23.12 21.33 1t3r s ALA 28 CO 0.51 -0.17 1.55 -0.44 0.00 0.00 0.00 175.76 177.20 1t3r h ASP 29 N 7.52 0.90 -4.44 0.00 3.32 -1.88 0.53 116.42 122.37 1t3r h ASP 29 Ca -0.37 -0.37 -0.42 0.00 0.02 0.00 0.00 57.03 55.89 1t3r h ASP 29 Cb 1.18 -0.25 -0.22 0.00 0.22 0.00 0.00 39.33 40.26 1t3r h ASP 29 CO 0.63 1.06 -0.78 -1.81 -1.72 0.00 0.00 179.24 176.61 1t3r s ASP 30 N -6.52 1.71 0.19 6.45 1.01 -1.26 -2.39 116.67 115.85 1t3r s ASP 30 Ca -0.12 -0.59 -0.31 0.00 0.71 0.00 0.00 52.55 52.24 1t3r s ASP 30 Cb 0.11 -0.06 -0.09 0.00 1.01 0.00 0.00 42.92 43.89 1t3r s ASP 30 CO 0.84 -0.05 1.43 -0.89 0.21 0.00 0.00 175.17 176.71 1t3r s THR 31 N -1.19 2.93 -0.04 -1.27 2.01 -1.26 -4.30 115.64 112.51 1t3r s THR 31 Ca -0.01 0.72 -0.01 0.00 0.31 0.00 0.00 61.69 62.70 1t3r s THR 31 Cb -0.10 -3.46 0.03 0.00 0.01 0.00 0.00 72.50 68.98 1t3r s THR 31 CO 0.02 0.09 0.03 0.54 -0.69 0.00 0.00 174.62 174.60 1t3r s VAL 32 N 0.53 0.11 0.15 3.82 0.11 -0.11 -0.84 120.40 124.17 1t3r s VAL 32 Ca 0.62 0.24 0.07 0.00 -2.93 0.00 0.00 61.98 59.99 1t3r s VAL 32 Cb -0.40 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1t3r s VAL 32 CO 0.36 0.19 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.52 1t3r s LEU 33 N 1.75 3.19 0.77 2.54 1.43 0.67 -0.70 118.68 128.32 1t3r s LEU 33 Ca 0.00 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1t3r s LEU 33 Cb -0.13 -1.89 0.04 0.00 0.03 0.00 0.00 46.19 44.25 1t3r s LEU 33 CO -0.03 0.12 1.09 -0.62 0.23 0.00 0.00 176.35 177.14 1t3r n GLU 34 N 0.20 0.37 -1.63 1.70 1.02 -1.26 -1.83 120.64 119.20 1t3r n GLU 34 Ca -0.11 0.19 -0.53 0.00 -0.02 0.00 0.00 57.16 56.70 1t3r n GLU 34 Cb 0.54 -2.34 -0.06 0.00 -0.02 0.00 0.00 31.44 29.56 1t3r n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1t3r n GLU 35 N -2.57 1.31 -3.63 3.49 4.07 -1.04 -4.59 120.64 117.68 1t3r n GLU 35 Ca 0.13 0.47 -0.16 0.00 -0.06 0.00 0.00 57.16 57.55 1t3r n GLU 35 Cb 0.50 -2.15 -0.07 0.00 -0.06 0.00 0.00 31.44 29.66 1t3r n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1t3r s MET 36 N 1.50 0.87 -1.15 5.31 0.23 -1.26 -5.01 119.30 119.78 1t3r s MET 36 Ca 0.88 0.07 -0.09 0.00 -1.03 0.00 0.00 55.69 55.51 1t3r s MET 36 Cb -0.94 0.40 0.24 0.00 -1.53 0.00 0.00 34.83 33.01 1t3r s MET 36 CO 0.51 -0.26 1.35 -1.71 -2.03 0.00 0.00 175.02 172.88 1t3r n ASN 37 N 1.12 5.56 -4.77 -1.18 4.05 -1.26 -5.00 115.26 113.78 1t3r n ASN 37 Ca -0.20 -3.10 -0.36 0.00 0.45 0.00 0.00 54.58 51.37 1t3r n ASN 37 Cb 0.57 -1.42 -0.01 0.00 1.23 0.00 0.00 39.78 40.14 1t3r n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1t3r s LEU 38 N -0.68 3.96 0.62 1.20 1.43 -1.26 -5.03 118.68 118.91 1t3r s LEU 38 Ca 0.35 2.23 -0.13 0.00 -1.03 0.00 0.00 54.13 55.55 1t3r s LEU 38 Cb -0.03 -4.33 -0.03 0.00 0.03 0.00 0.00 46.19 41.83 1t3r s LEU 38 CO -0.02 -0.93 1.03 -2.16 0.23 0.00 0.00 176.35 174.51 1t3r s PRO 39 N -2.83 3.42 0.00 1.29 0.04 -1.26 -4.97 135.00 130.68 1t3r s PRO 39 Ca 0.65 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1t3r s PRO 39 Cb -0.26 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1t3r s PRO 39 CO 0.31 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1t3r n GLY 40 N -1.92 1.24 3.80 0.56 0.00 -1.26 -5.04 105.19 102.56 1t3r n GLY 40 Ca 0.07 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 1t3r n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t3r s LYS 41 N -1.43 3.21 0.23 1.61 0.00 -1.26 -5.06 119.74 117.04 1t3r s LYS 41 Ca 0.00 1.23 -0.14 0.00 0.00 0.00 0.00 55.97 57.06 1t3r s LYS 41 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 37.83 35.82 1t3r s LYS 41 CO 0.00 -0.90 0.48 1.67 0.00 0.00 0.00 175.35 176.60 1t3r s TRP 42 N -2.45 0.26 -0.00 1.78 1.48 -1.26 -4.55 118.94 114.20 1t3r s TRP 42 Ca 0.64 -0.63 0.03 0.00 -1.06 0.00 0.00 56.10 55.08 1t3r s TRP 42 Cb -0.17 0.22 -0.01 0.00 -1.16 0.00 0.00 33.47 32.36 1t3r s TRP 42 CO 0.38 -0.97 -0.10 0.15 -4.06 0.00 0.00 176.95 172.35 1t3r s LYS 43 N -3.99 0.83 0.49 3.25 -0.14 -0.64 -4.91 119.74 114.63 1t3r s LYS 43 Ca 0.19 -0.40 -0.21 0.00 -1.36 0.00 0.00 55.97 54.19 1t3r s LYS 43 Cb -0.01 -0.80 -0.07 0.00 -1.68 0.00 0.00 37.83 35.27 1t3r s LYS 43 CO 0.06 0.22 1.12 -1.25 -0.76 0.00 0.00 175.35 174.74 1t3r s PRO 44 N -0.34 3.67 0.09 -1.68 0.04 -1.26 -0.46 135.00 135.07 1t3r s PRO 44 Ca 0.03 1.62 -0.13 0.00 0.04 0.00 0.00 61.00 62.56 1t3r s PRO 44 Cb -0.04 -2.23 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1t3r s PRO 44 CO -0.00 -0.58 0.31 0.21 0.04 0.00 0.00 177.00 176.97 1t3r s LYS 45 N -2.97 0.91 -0.07 4.56 2.20 -0.46 -4.87 119.74 119.04 1t3r s LYS 45 Ca 0.67 -0.71 0.03 0.00 -0.36 0.00 0.00 55.97 55.60 1t3r s LYS 45 Cb -0.24 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 1t3r s LYS 45 CO 0.29 -0.32 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.14 1t3r s MET 46 N -3.38 2.24 0.08 4.03 -1.94 -1.26 -0.89 119.30 118.18 1t3r s MET 46 Ca 0.01 -0.64 0.10 0.00 -1.71 0.00 0.00 55.69 53.45 1t3r s MET 46 Cb 0.02 -1.79 -0.03 0.00 2.01 0.00 0.00 34.83 35.04 1t3r s MET 46 CO -0.09 0.14 -0.26 0.96 -0.01 0.00 0.00 175.02 175.76 1t3r s ILE 47 N 0.39 2.13 0.03 2.53 -4.36 -0.58 -4.96 121.20 116.38 1t3r s ILE 47 Ca -0.14 -1.52 0.08 0.00 -0.26 0.00 0.00 60.65 58.81 1t3r s ILE 47 Cb -0.16 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.67 1t3r s ILE 47 CO 0.05 0.23 -0.23 -0.83 0.24 0.00 0.00 174.94 174.41 1t3r s GLY 48 N -1.57 1.18 0.00 6.27 0.00 -1.26 -0.92 107.32 111.01 1t3r s GLY 48 Ca 0.12 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1t3r s GLY 48 CO 0.04 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 172.77 1t3r n GLY 49 N 2.02 3.92 3.71 0.20 0.00 -0.31 -4.98 105.19 109.75 1t3r n GLY 49 Ca -0.17 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 1t3r n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t3r s ILE 50 N -1.73 2.42 0.00 -0.61 1.01 -1.26 -1.56 121.20 119.47 1t3r s ILE 50 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1t3r s ILE 50 Cb 0.00 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1t3r s ILE 50 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 1t3r n GLY 51 N 3.92 1.92 0.00 6.18 0.00 -1.26 -4.94 105.19 111.00 1t3r n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1t3r n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t3r n GLY 52 N -2.00 0.26 3.76 -0.02 0.00 -0.60 -5.09 105.19 101.50 1t3r n GLY 52 Ca 0.00 -2.11 -0.27 0.00 0.00 0.00 0.00 46.02 43.65 1t3r n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t3r s PHE 53 N 0.00 3.07 0.14 1.61 0.40 -1.26 -1.17 117.98 120.77 1t3r s PHE 53 Ca 0.00 -0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.36 1t3r s PHE 53 Cb 0.00 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 1t3r s PHE 53 CO 0.00 0.52 -0.17 0.96 0.70 0.00 0.00 175.22 177.23 1t3r s ILE 54 N -1.72 1.63 -0.03 0.64 -4.36 -0.10 -4.97 121.20 112.29 1t3r s ILE 54 Ca 0.30 -1.78 -0.20 0.00 -0.26 0.00 0.00 60.65 58.71 1t3r s ILE 54 Cb -0.10 -1.68 -0.05 0.00 1.25 0.00 0.00 42.46 41.88 1t3r s ILE 54 CO 0.22 -0.31 0.57 -0.54 0.24 0.00 0.00 174.94 175.12 1t3r s LYS 55 N -2.59 4.31 0.16 0.37 1.02 -1.26 -1.53 119.74 120.21 1t3r s LYS 55 Ca 0.12 0.66 0.01 0.00 0.02 0.00 0.00 55.97 56.78 1t3r s LYS 55 Cb -0.06 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1t3r s LYS 55 CO 0.05 0.32 -0.00 0.14 -0.92 0.00 0.00 175.35 174.93 1t3r s VAL 56 N 0.01 0.62 -0.22 3.17 -7.23 -0.06 -4.33 120.40 112.36 1t3r s VAL 56 Ca 0.30 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.43 1t3r s VAL 56 Cb -0.17 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 1t3r s VAL 56 CO 0.15 -0.54 0.07 -0.13 -0.31 0.00 0.00 175.10 174.34 1t3r s ARG 57 N -3.92 3.77 -0.35 4.82 0.52 0.44 -1.35 118.95 122.87 1t3r s ARG 57 Ca 0.22 -0.43 -0.18 0.00 -0.52 0.00 0.00 55.73 54.81 1t3r s ARG 57 Cb 0.06 -3.28 -0.00 0.00 0.52 0.00 0.00 34.95 32.25 1t3r s ARG 57 CO 0.02 -0.01 0.52 -1.14 0.02 0.00 0.00 175.30 174.71 1t3r s GLN 58 N 1.15 3.60 -0.05 3.54 0.74 0.40 -0.62 119.66 128.41 1t3r s GLN 58 Ca 0.04 -0.18 -0.02 0.00 0.05 0.00 0.00 55.36 55.25 1t3r s GLN 58 Cb -0.14 -3.82 -0.04 0.00 1.10 0.00 0.00 33.01 30.11 1t3r s GLN 58 CO 0.03 -0.66 0.07 0.71 -0.55 0.00 0.00 175.29 174.89 1t3r s TYR 59 N 2.40 3.31 0.08 1.67 1.51 -0.10 -1.62 117.35 124.61 1t3r s TYR 59 Ca 0.19 0.27 0.07 0.00 -1.01 0.00 0.00 57.07 56.58 1t3r s TYR 59 Cb -0.15 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1t3r s TYR 59 CO 0.13 0.56 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.51 1t3r s ASP 60 N -1.34 4.29 -1.23 2.29 1.01 -1.26 -1.21 116.67 119.22 1t3r s ASP 60 Ca 0.18 -0.38 -0.01 0.00 0.71 0.00 0.00 52.55 53.05 1t3r s ASP 60 Cb -0.12 -0.81 0.00 0.00 1.01 0.00 0.00 42.92 43.01 1t3r s ASP 60 CO 0.08 0.20 0.99 0.00 0.21 0.00 0.00 175.17 176.65 1t3r n GLN 61 N 0.94 -6.57 -3.55 8.23 1.13 -1.10 -4.90 117.38 111.55 1t3r n GLN 61 Ca -0.14 0.82 -0.36 0.00 -1.94 0.00 0.00 57.00 55.37 1t3r n GLN 61 Cb 0.52 -5.79 -0.07 0.00 0.11 0.00 0.00 30.24 25.01 1t3r n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1t3r s ILE 62 N -3.39 5.31 0.10 5.09 -1.09 -0.20 -4.68 121.20 122.34 1t3r s ILE 62 Ca 0.08 0.50 -0.31 0.00 -2.23 0.00 0.00 60.65 58.69 1t3r s ILE 62 Cb -0.03 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.16 1t3r s ILE 62 CO 0.74 0.37 1.24 -2.16 -1.23 0.00 0.00 174.94 173.90 1t3r s PRO 63 N 0.60 4.42 -0.05 2.79 0.04 -1.26 -1.81 135.00 139.73 1t3r s PRO 63 Ca 0.15 1.86 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 1t3r s PRO 63 Cb -0.13 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.14 1t3r s PRO 63 CO 0.04 -0.26 0.02 0.08 0.04 0.00 0.00 177.00 176.92 1t3r s VAL 64 N 0.81 0.18 -0.28 -0.36 1.01 -0.35 -4.17 120.40 117.23 1t3r s VAL 64 Ca 0.59 0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.63 1t3r s VAL 64 Cb -0.32 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1t3r s VAL 64 CO 0.31 0.21 0.32 -1.61 0.00 0.00 0.00 175.10 174.33 1t3r s GLU 65 N 1.79 3.93 -0.25 2.72 8.01 0.90 -0.77 118.70 135.04 1t3r s GLU 65 Ca 0.01 -0.13 0.03 0.00 0.01 0.00 0.00 54.97 54.89 1t3r s GLU 65 Cb -0.13 -3.68 0.05 0.00 -4.31 0.00 0.00 34.13 26.07 1t3r s GLU 65 CO -0.04 -0.29 -0.12 0.42 0.01 0.00 0.00 175.26 175.25 1t3r s ILE 66 N 1.97 2.17 -1.41 -1.63 1.01 0.25 0.16 121.20 123.72 1t3r s ILE 66 Ca 0.12 -1.55 -0.12 0.00 0.00 0.00 0.00 60.65 59.10 1t3r s ILE 66 Cb -0.16 -2.23 0.09 0.00 0.01 0.00 0.00 42.46 40.17 1t3r s ILE 66 CO 0.10 0.04 0.62 0.00 0.00 0.00 0.00 174.94 175.70 1t3r n GLY 68 N -1.28 0.72 3.65 0.00 0.00 -1.26 -5.02 105.19 101.99 1t3r n GLY 68 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1t3r n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t3r s HIS 69 N -2.66 3.24 0.24 1.61 4.02 -0.03 -5.07 115.29 116.64 1t3r s HIS 69 Ca 0.00 0.10 -0.25 0.00 1.02 0.00 0.00 55.06 55.93 1t3r s HIS 69 Cb 0.00 -2.00 -0.09 0.00 -1.02 0.00 0.00 32.58 29.47 1t3r s HIS 69 CO 0.00 0.24 0.83 0.15 1.02 0.00 0.00 174.74 176.99 1t3r s LYS 70 N 0.03 4.53 0.16 1.40 1.02 -1.26 -0.58 119.74 125.03 1t3r s LYS 70 Ca 0.05 1.18 -0.04 0.00 0.02 0.00 0.00 55.97 57.18 1t3r s LYS 70 Cb -0.12 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1t3r s LYS 70 CO 0.01 0.43 0.15 0.00 -0.92 0.00 0.00 175.35 175.02 1t3r s ALA 71 N -1.39 0.62 -0.26 5.17 0.00 0.05 -4.70 121.76 121.26 1t3r s ALA 71 Ca 0.43 -1.32 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 1t3r s ALA 71 Cb -0.20 0.96 0.10 0.00 0.00 0.00 0.00 23.12 23.97 1t3r s ALA 71 CO 0.25 -0.56 0.58 -1.50 0.00 0.00 0.00 175.76 174.52 1t3r s ILE 72 N -4.04 -0.57 -0.90 0.00 2.07 -1.26 -1.21 121.20 115.28 1t3r s ILE 72 Ca 0.24 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 1t3r s ILE 72 Cb 0.06 -0.88 0.00 0.00 0.13 0.00 0.00 42.46 41.77 1t3r s ILE 72 CO 0.03 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 1t3r n GLY 73 N 5.03 -0.60 3.74 1.50 0.00 -0.75 -4.83 105.19 109.28 1t3r n GLY 73 Ca -0.14 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1t3r n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t3r s THR 74 N -3.25 3.76 -0.08 2.61 2.01 -1.26 -1.03 115.64 118.39 1t3r s THR 74 Ca 0.00 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.52 1t3r s THR 74 Cb 0.00 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.57 1t3r s THR 74 CO 0.00 0.26 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.42 1t3r s VAL 75 N -0.21 0.93 0.01 3.82 1.01 -0.35 -4.42 120.40 121.18 1t3r s VAL 75 Ca 0.50 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 1t3r s VAL 75 Cb -0.31 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 1t3r s VAL 75 CO 0.36 0.33 0.38 -0.76 0.00 0.00 0.00 175.10 175.41 1t3r s LEU 76 N 1.25 4.44 -0.07 3.92 1.43 -0.02 -0.93 118.68 128.71 1t3r s LEU 76 Ca -0.04 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 1t3r s LEU 76 Cb -0.14 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.47 1t3r s LEU 76 CO -0.03 0.30 -0.13 -0.69 0.23 0.00 0.00 176.35 176.04 1t3r s VAL 77 N -1.14 1.19 -0.60 -1.59 1.01 0.20 -0.24 120.40 119.23 1t3r s VAL 77 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1t3r s VAL 77 Cb -0.16 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1t3r s VAL 77 CO 0.14 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1t3r n GLY 78 N 3.84 -1.04 2.36 4.51 0.00 -0.76 -0.42 105.19 113.67 1t3r n GLY 78 Ca -0.22 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 1t3r n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1t3r n PRO 79 N 0.00 3.67 -2.74 1.61 -0.04 -1.26 -2.51 135.00 133.74 1t3r n PRO 79 Ca 0.00 -2.57 -0.35 0.00 -0.04 0.00 0.00 63.50 60.54 1t3r n PRO 79 Cb 0.00 -2.54 -0.06 0.00 -0.04 0.00 0.00 33.50 30.86 1t3r n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1t3r s THR 80 N 0.11 4.16 -0.73 0.52 -1.32 -1.26 -4.96 115.64 112.16 1t3r s THR 80 Ca 0.62 1.56 0.25 0.00 -1.21 0.00 0.00 61.69 62.90 1t3r s THR 80 Cb 0.23 -3.76 0.25 0.00 -1.51 0.00 0.00 72.50 67.71 1t3r s THR 80 CO -0.09 -0.08 1.75 -0.81 -2.21 0.00 0.00 174.62 173.18 1t3r n PRO 81 N -0.11 0.17 -3.87 7.08 -0.04 -1.26 -4.63 135.00 132.34 1t3r n PRO 81 Ca 0.05 0.24 -0.11 0.00 -0.04 0.00 0.00 63.50 63.64 1t3r n PRO 81 Cb 0.52 -1.74 -0.11 0.00 -0.04 0.00 0.00 33.50 32.12 1t3r n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1t3r s VAL 82 N -3.14 0.05 0.08 0.52 1.01 -1.26 -5.07 120.40 112.60 1t3r s VAL 82 Ca 0.09 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1t3r s VAL 82 Cb 0.12 -0.29 -0.06 0.00 0.00 0.00 0.00 36.38 36.15 1t3r s VAL 82 CO 0.49 -0.24 1.14 0.20 0.00 0.00 0.00 175.10 176.69 1t3r s ASN 83 N -0.80 7.16 -0.14 3.32 0.01 -1.26 -4.58 114.94 118.65 1t3r s ASN 83 Ca -0.09 1.98 0.01 0.00 -0.71 0.00 0.00 52.86 54.05 1t3r s ASN 83 Cb -0.05 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.04 1t3r s ASN 83 CO 0.01 -0.38 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.43 1t3r s ILE 84 N 0.75 1.59 -0.32 0.60 1.01 0.12 -0.74 121.20 124.20 1t3r s ILE 84 Ca 0.56 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 60.37 1t3r s ILE 84 Cb -0.28 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 1t3r s ILE 84 CO 0.30 0.46 0.51 -0.63 0.00 0.00 0.00 174.94 175.59 1t3r s ILE 85 N 1.32 5.03 0.64 2.92 -1.09 0.85 -0.94 121.20 129.93 1t3r s ILE 85 Ca 0.01 0.51 0.07 0.00 -2.23 0.00 0.00 60.65 59.01 1t3r s ILE 85 Cb -0.13 -3.92 0.11 0.00 -1.58 0.00 0.00 42.46 36.94 1t3r s ILE 85 CO -0.08 -0.12 0.89 -0.83 -1.23 0.00 0.00 174.94 173.57 1t3r s GLY 86 N 1.70 1.71 0.54 6.18 0.00 -1.26 -1.08 107.32 115.12 1t3r s GLY 86 Ca 0.19 -2.12 0.21 0.00 0.00 0.00 0.00 44.72 43.00 1t3r s GLY 86 CO 0.12 -1.58 2.16 3.21 0.00 0.00 0.00 173.10 177.02 1t3r h ARG 87 N -0.11 0.00 -0.52 2.90 3.08 -0.82 -1.09 114.38 117.81 1t3r h ARG 87 Ca -0.30 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.81 1t3r h ARG 87 Cb 1.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 1t3r h ARG 87 CO 0.39 0.00 0.35 -2.95 -1.07 0.00 0.00 179.97 176.69 1t3r h ASN 88 N 0.00 0.39 0.04 7.04 -1.07 -1.73 -2.05 115.58 118.19 1t3r h ASN 88 Ca 0.03 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.12 1t3r h ASN 88 Cb 0.11 -0.08 -0.05 0.00 -2.07 0.00 0.00 38.32 36.23 1t3r h ASN 88 CO -0.00 0.25 -2.25 0.18 0.07 0.00 0.00 177.43 175.68 1t3r n LEU 89 N -4.47 0.05 -0.29 6.14 4.77 -0.72 -4.39 117.00 118.08 1t3r n LEU 89 Ca 0.07 0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1t3r n LEU 89 Cb 0.26 0.36 0.11 0.00 -2.33 0.00 0.00 43.42 41.82 1t3r n LEU 89 CO 0.34 0.37 1.19 -0.07 -1.33 0.00 0.00 177.39 177.89 1t3r h LEU 90 N 0.00 0.83 -1.31 2.23 3.38 -0.92 -1.16 115.31 118.36 1t3r h LEU 90 Ca -0.41 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.57 1t3r h LEU 90 Cb 1.94 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.48 1t3r h LEU 90 CO 0.03 0.56 0.46 0.71 0.09 0.00 0.00 178.44 180.29 1t3r h THR 91 N 0.98 1.18 0.00 0.22 1.35 -1.60 -2.04 112.91 113.00 1t3r h THR 91 Ca 0.33 -0.33 -0.06 0.00 -0.55 0.00 0.00 66.41 65.80 1t3r h THR 91 Cb 0.05 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.62 1t3r h THR 91 CO -0.13 0.17 -0.26 1.56 -0.25 0.00 0.00 175.52 176.61 1t3r h GLN 92 N 0.94 0.00 -0.66 4.72 4.20 -1.42 -2.54 115.11 120.36 1t3r h GLN 92 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1t3r h GLN 92 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1t3r h GLN 92 CO -0.05 0.26 0.00 0.44 -0.67 0.00 0.00 178.83 178.81 1t3r n ILE 93 N -3.53 0.87 -0.66 2.54 -5.35 -1.05 -4.92 119.36 107.26 1t3r n ILE 93 Ca -0.01 -0.94 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 1t3r n ILE 93 Cb 0.42 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 38.94 1t3r n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1t3r n GLY 94 N 1.64 0.61 3.73 3.28 0.00 -0.95 -5.03 105.19 108.46 1t3r n GLY 94 Ca 0.24 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1t3r n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3r s THR 96 N 0.16 1.31 -0.01 0.00 -4.23 -1.26 -4.67 115.64 106.94 1t3r s THR 96 Ca 0.45 -2.09 -0.07 0.00 -1.18 0.00 0.00 61.69 58.80 1t3r s THR 96 Cb -0.22 -2.15 -0.05 0.00 1.34 0.00 0.00 72.50 71.42 1t3r s THR 96 CO 0.28 -0.50 0.26 -0.76 -0.54 0.00 0.00 174.62 173.36 1t3r s LEU 97 N -3.29 4.38 -0.07 4.79 1.43 -1.26 -5.09 118.68 119.57 1t3r s LEU 97 Ca 0.24 0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 53.89 1t3r s LEU 97 Cb 0.03 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.72 1t3r s LEU 97 CO 0.06 0.29 0.17 0.20 0.23 0.00 0.00 176.35 177.30 1t3r s ASN 98 N -1.53 -0.16 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.12 1t3r s ASN 98 Ca 0.25 0.36 0.00 0.00 -1.57 0.00 0.00 52.86 51.90 1t3r s ASN 98 Cb -0.13 0.27 0.00 0.00 -0.02 0.00 0.00 41.25 41.37 1t3r s ASN 98 CO 0.14 -0.13 0.00 2.22 -2.57 0.00 0.00 177.10 176.75