#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gga s GLN 2 N 0.00 4.22 -0.15 0.54 0.74 -1.26 -5.08 119.66 118.68 3gga s GLN 2 Ca 0.00 0.29 -0.00 0.00 0.05 0.00 0.00 55.36 55.69 3gga s GLN 2 Cb 0.00 -3.39 0.03 0.00 1.10 0.00 0.00 33.01 30.75 3gga s GLN 2 CO 0.00 0.29 -0.06 0.42 -0.55 0.00 0.00 175.29 175.38 3gga s ILE 3 N 0.26 1.10 0.78 -2.34 1.01 -1.26 -5.14 121.20 115.61 3gga s ILE 3 Ca 0.21 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 3gga s ILE 3 Cb -0.14 -1.21 0.07 0.00 0.01 0.00 0.00 42.46 41.18 3gga s ILE 3 CO 0.08 0.23 1.14 0.42 0.00 0.00 0.00 174.94 176.81 3gga s THR 4 N 1.65 2.21 -0.73 2.92 -4.23 -1.26 -5.02 115.64 111.18 3gga s THR 4 Ca 0.02 0.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.62 3gga s THR 4 Cb -0.14 -3.05 0.20 0.00 1.34 0.00 0.00 72.50 70.84 3gga s THR 4 CO -0.08 -0.07 1.12 0.18 -0.54 0.00 0.00 174.62 175.23 3gga n LEU 5 N -3.22 2.51 -0.28 4.79 4.77 -1.26 -4.57 117.00 119.75 3gga n LEU 5 Ca 0.08 -1.84 0.07 0.00 -0.03 0.00 0.00 56.01 54.29 3gga n LEU 5 Cb 0.60 -0.14 0.22 0.00 -2.33 0.00 0.00 43.42 41.77 3gga n LEU 5 CO 0.56 0.61 1.06 -0.50 -1.33 0.00 0.00 177.39 177.80 3gga h TRP 6 N 1.50 0.65 -1.77 -1.77 4.06 -2.06 -3.42 115.95 113.13 3gga h TRP 6 Ca 0.00 0.04 -0.60 0.00 2.06 0.00 0.00 58.89 60.38 3gga h TRP 6 Cb 0.62 -0.16 -0.12 0.00 -1.00 0.00 0.00 29.16 28.50 3gga h TRP 6 CO 0.14 0.10 -0.60 -0.65 -3.56 0.00 0.00 178.44 173.87 3gga s GLN 7 N -5.98 2.01 0.01 0.49 -0.21 -1.26 -5.09 119.66 109.63 3gga s GLN 7 Ca -0.12 -1.93 -0.38 0.00 0.02 0.00 0.00 55.36 52.95 3gga s GLN 7 Cb 0.22 -1.79 -0.17 0.00 1.00 0.00 0.00 33.01 32.26 3gga s GLN 7 CO 0.77 0.03 1.36 0.54 -2.12 0.00 0.00 175.29 175.86 3gga n ARG 8 N -0.98 0.92 -1.11 2.91 1.74 -1.26 -4.80 116.66 114.08 3gga n ARG 8 Ca -0.04 0.33 -0.37 0.00 -0.77 0.00 0.00 57.85 57.00 3gga n ARG 8 Cb 0.65 -1.95 -0.04 0.00 -1.02 0.00 0.00 32.46 30.09 3gga n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3gga n PRO 9 N 2.77 1.89 -3.18 5.56 -0.04 -1.26 -4.91 135.00 135.83 3gga n PRO 9 Ca 0.20 -1.84 -0.39 0.00 -0.04 0.00 0.00 63.50 61.43 3gga n PRO 9 Cb 0.16 -2.83 -0.06 0.00 -0.04 0.00 0.00 33.50 30.73 3gga n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gga s LEU 10 N 0.97 4.48 0.20 1.53 1.43 -1.26 -1.26 118.68 124.77 3gga s LEU 10 Ca 0.52 1.29 0.01 0.00 -1.03 0.00 0.00 54.13 54.92 3gga s LEU 10 Cb 0.13 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.31 3gga s LEU 10 CO 0.05 0.17 0.05 0.68 0.23 0.00 0.00 176.35 177.52 3gga s VAL 11 N -0.61 0.53 -0.08 -1.59 -7.23 -0.42 -4.96 120.40 106.04 3gga s VAL 11 Ca 0.32 -1.98 -0.20 0.00 -1.81 0.00 0.00 61.98 58.30 3gga s VAL 11 Cb -0.20 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 3gga s VAL 11 CO 0.20 -0.27 0.56 -0.89 -0.31 0.00 0.00 175.10 174.39 3gga s THR 12 N -3.76 5.10 0.15 5.32 2.01 -1.26 -0.63 115.64 122.56 3gga s THR 12 Ca 0.30 1.14 0.11 0.00 0.31 0.00 0.00 61.69 63.54 3gga s THR 12 Cb 0.07 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3gga s THR 12 CO 0.08 0.33 -0.24 0.27 -0.69 0.00 0.00 174.62 174.37 3gga s ILE 13 N 0.50 2.43 -0.28 1.82 -4.36 0.20 -2.95 121.20 118.55 3gga s ILE 13 Ca 0.30 -1.78 -0.03 0.00 -0.26 0.00 0.00 60.65 58.88 3gga s ILE 13 Cb -0.16 -2.11 0.03 0.00 1.25 0.00 0.00 42.46 41.47 3gga s ILE 13 CO 0.14 0.03 -0.01 -0.75 0.24 0.00 0.00 174.94 174.59 3gga s LYS 14 N -2.26 2.77 -0.02 0.37 2.20 -0.17 -0.91 119.74 121.72 3gga s LYS 14 Ca 0.17 -1.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 3gga s LYS 14 Cb -0.10 -3.14 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 3gga s LYS 14 CO 0.08 -0.48 0.00 -1.50 -0.36 0.00 0.00 175.35 173.09 3gga s ILE 15 N 1.34 0.10 -1.17 5.43 2.07 -0.59 -1.50 121.20 126.89 3gga s ILE 15 Ca -0.01 0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.26 3gga s ILE 15 Cb -0.18 -0.17 0.02 0.00 0.13 0.00 0.00 42.46 42.26 3gga s ILE 15 CO -0.02 0.10 0.21 0.61 -1.91 0.00 0.00 174.94 173.93 3gga n GLY 16 N 3.78 -0.50 1.82 1.50 0.00 -1.26 -1.33 105.19 109.20 3gga n GLY 16 Ca -0.22 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3gga n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gga n GLY 17 N -0.99 0.48 3.19 -0.02 0.00 -1.26 -5.05 105.19 101.54 3gga n GLY 17 Ca -0.10 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 3gga n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gga s GLN 18 N -1.05 1.51 -0.03 1.61 -0.21 -0.44 -5.13 119.66 115.92 3gga s GLN 18 Ca 0.00 -0.68 -0.25 0.00 0.02 0.00 0.00 55.36 54.45 3gga s GLN 18 Cb 0.00 -1.47 -0.04 0.00 1.00 0.00 0.00 33.01 32.50 3gga s GLN 18 CO 0.00 0.40 0.76 -0.51 -2.12 0.00 0.00 175.29 173.82 3gga s LEU 19 N -0.47 4.35 0.06 2.90 1.43 -1.26 -1.53 118.68 124.16 3gga s LEU 19 Ca 0.07 1.32 -0.05 0.00 -1.03 0.00 0.00 54.13 54.44 3gga s LEU 19 Cb -0.07 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.94 3gga s LEU 19 CO -0.01 -0.11 0.07 -0.54 0.23 0.00 0.00 176.35 175.99 3gga s LYS 20 N 0.65 0.70 -0.13 1.70 1.02 -0.09 -4.97 119.74 118.63 3gga s LYS 20 Ca 0.40 -1.07 -0.09 0.00 0.02 0.00 0.00 55.97 55.24 3gga s LYS 20 Cb -0.19 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.34 3gga s LYS 20 CO 0.21 -0.18 0.17 -2.00 -0.92 0.00 0.00 175.35 172.63 3gga s GLU 21 N -3.76 3.66 -0.02 1.68 2.12 -1.26 0.61 118.70 121.74 3gga s GLU 21 Ca 0.05 -0.09 -0.05 0.00 0.36 0.00 0.00 54.97 55.24 3gga s GLU 21 Cb 0.06 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.20 3gga s GLU 21 CO -0.10 0.65 0.12 0.00 -0.54 0.00 0.00 175.26 175.39 3gga s ALA 22 N -0.70 -0.28 -0.29 6.30 0.00 0.19 -4.46 121.76 122.53 3gga s ALA 22 Ca 0.15 0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.99 3gga s ALA 22 Cb -0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3gga s ALA 22 CO 0.04 -0.13 0.53 -1.17 0.00 0.00 0.00 175.76 175.03 3gga s LEU 23 N -0.69 4.13 -0.55 0.00 2.96 0.89 -1.30 118.68 124.12 3gga s LEU 23 Ca -0.08 0.38 -0.27 0.00 -0.22 0.00 0.00 54.13 53.94 3gga s LEU 23 Cb -0.05 -2.67 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 3gga s LEU 23 CO 0.01 -0.36 1.77 -0.76 -1.32 0.00 0.00 176.35 175.68 3gga s LEU 24 N 2.38 3.35 -0.33 -0.68 1.43 -0.39 -0.88 118.68 123.56 3gga s LEU 24 Ca 0.21 0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 53.81 3gga s LEU 24 Cb -0.15 -2.80 0.07 0.00 0.03 0.00 0.00 46.19 43.34 3gga s LEU 24 CO 0.11 -2.14 0.06 -0.62 0.23 0.00 0.00 176.35 173.99 3gga s ASP 25 N 7.07 4.95 0.56 2.29 2.15 -0.82 -4.80 116.67 128.07 3gga s ASP 25 Ca 0.67 -1.62 0.35 0.00 0.43 0.00 0.00 52.55 52.38 3gga s ASP 25 Cb -0.14 -1.72 1.57 0.00 -0.30 0.00 0.00 42.92 42.33 3gga s ASP 25 CO 0.24 -0.35 2.05 0.71 -0.17 0.00 0.00 175.17 177.65 3gga h THR 26 N 6.48 0.00 -0.04 1.71 1.35 -1.93 -2.73 112.91 117.76 3gga h THR 26 Ca -0.16 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3gga h THR 26 Cb 1.05 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3gga h THR 26 CO 0.57 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 3gga n GLY 27 N -0.21 -0.49 3.51 5.82 0.00 -1.26 -4.85 105.19 107.72 3gga n GLY 27 Ca -0.00 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 3gga n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gga s ALA 28 N -1.96 2.96 0.03 4.61 0.00 -1.03 -5.01 121.76 121.36 3gga s ALA 28 Ca 0.38 -0.85 -0.18 0.00 0.00 0.00 0.00 51.96 51.31 3gga s ALA 28 Cb 0.19 -1.41 -0.21 0.00 0.00 0.00 0.00 23.12 21.69 3gga s ALA 28 CO 0.31 0.34 1.17 -0.44 0.00 0.00 0.00 175.76 177.14 3gga h ASP 29 N 6.21 0.62 -2.27 0.00 5.19 -1.88 0.17 116.42 124.46 3gga h ASP 29 Ca -0.36 -0.70 -0.56 0.00 -0.62 0.00 0.00 57.03 54.79 3gga h ASP 29 Cb 1.19 -0.19 -0.09 0.00 0.18 0.00 0.00 39.33 40.42 3gga h ASP 29 CO 0.58 1.23 -0.64 -1.81 -3.12 0.00 0.00 179.24 175.49 3gga s ASP 30 N -6.78 4.61 -0.11 6.45 1.01 -1.26 -2.85 116.67 117.75 3gga s ASP 30 Ca -0.13 -0.60 -0.19 0.00 0.71 0.00 0.00 52.55 52.34 3gga s ASP 30 Cb 0.05 -0.89 -0.04 0.00 1.01 0.00 0.00 42.92 43.05 3gga s ASP 30 CO 0.84 0.01 0.51 -0.89 0.21 0.00 0.00 175.17 175.84 3gga s THR 31 N -2.26 5.17 -0.10 -1.27 2.01 -1.26 -3.27 115.64 114.66 3gga s THR 31 Ca 0.31 1.02 -0.00 0.00 0.31 0.00 0.00 61.69 63.32 3gga s THR 31 Cb -0.07 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.62 3gga s THR 31 CO 0.20 0.32 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.70 3gga s VAL 32 N 0.62 0.85 0.14 3.82 1.01 -0.02 -1.13 120.40 125.68 3gga s VAL 32 Ca 0.27 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.16 3gga s VAL 32 Cb -0.15 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3gga s VAL 32 CO 0.11 0.33 -0.21 -0.76 0.00 0.00 0.00 175.10 174.58 3gga s LEU 33 N 1.66 2.58 0.92 3.92 1.43 0.36 0.01 118.68 129.56 3gga s LEU 33 Ca 0.03 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 3gga s LEU 33 Cb -0.13 -1.41 0.12 0.00 0.03 0.00 0.00 46.19 44.80 3gga s LEU 33 CO -0.06 0.16 0.97 -0.62 0.23 0.00 0.00 176.35 177.03 3gga n GLU 34 N 0.69 -0.40 -1.69 1.70 1.02 -1.26 -2.74 120.64 117.97 3gga n GLU 34 Ca -0.15 -0.05 -0.61 0.00 -0.02 0.00 0.00 57.16 56.32 3gga n GLU 34 Cb 0.53 -2.25 -0.08 0.00 -0.02 0.00 0.00 31.44 29.62 3gga n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3gga n GLU 35 N -3.59 0.61 -3.71 3.49 4.07 -1.25 -4.69 120.64 115.56 3gga n GLU 35 Ca 0.11 0.22 -0.07 0.00 -0.06 0.00 0.00 57.16 57.36 3gga n GLU 35 Cb 0.52 -1.81 -0.02 0.00 -0.06 0.00 0.00 31.44 30.07 3gga n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3gga s MET 36 N 2.59 1.46 -0.09 5.31 0.23 -1.26 -5.07 119.30 122.47 3gga s MET 36 Ca 0.98 -0.75 -0.19 0.00 -1.03 0.00 0.00 55.69 54.71 3gga s MET 36 Cb -1.23 0.54 -0.04 0.00 -1.53 0.00 0.00 34.83 32.56 3gga s MET 36 CO 0.68 -0.66 0.51 -1.54 -2.03 0.00 0.00 175.02 171.98 3gga s SER 37 N -2.85 6.76 0.02 -1.18 1.04 -1.26 -5.06 113.70 111.17 3gga s SER 37 Ca 0.09 0.90 0.06 0.00 0.48 0.00 0.00 55.95 57.48 3gga s SER 37 Cb -0.03 -2.31 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 3gga s SER 37 CO 0.00 0.02 -0.17 -0.76 0.98 0.00 0.00 173.24 173.31 3gga s LEU 38 N 0.46 2.12 0.86 2.42 1.43 -1.26 -4.91 118.68 119.81 3gga s LEU 38 Ca 0.28 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 3gga s LEU 38 Cb -0.16 -0.84 0.11 0.00 0.03 0.00 0.00 46.19 45.34 3gga s LEU 38 CO 0.12 0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.78 3gga s PRO 39 N -0.88 1.52 0.77 1.29 0.04 -1.26 -4.95 135.00 131.53 3gga s PRO 39 Ca 0.06 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.94 3gga s PRO 39 Cb -0.08 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.63 3gga s PRO 39 CO 0.01 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.39 3gga n GLY 40 N -1.27 -1.90 3.98 0.56 0.00 -1.26 -4.98 105.19 100.33 3gga n GLY 40 Ca 0.07 -1.64 -0.20 0.00 0.00 0.00 0.00 46.02 44.26 3gga n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gga s ARG 41 N 0.00 3.23 -0.05 1.61 3.52 -1.26 -5.13 118.95 120.87 3gga s ARG 41 Ca 0.00 -0.85 -0.15 0.00 -0.13 0.00 0.00 55.73 54.60 3gga s ARG 41 Cb 0.00 -2.81 0.03 0.00 -1.56 0.00 0.00 34.95 30.61 3gga s ARG 41 CO 0.00 0.15 0.34 1.67 -0.81 0.00 0.00 175.30 176.65 3gga s TRP 42 N -2.16 -0.26 0.12 5.12 1.48 -1.26 -4.38 118.94 117.60 3gga s TRP 42 Ca 0.42 0.52 0.04 0.00 -1.06 0.00 0.00 56.10 56.01 3gga s TRP 42 Cb -0.09 0.12 -0.04 0.00 -1.16 0.00 0.00 33.47 32.30 3gga s TRP 42 CO 0.31 -0.33 0.14 0.15 -4.06 0.00 0.00 176.95 173.16 3gga s LYS 43 N -0.83 3.02 0.56 3.25 1.02 -0.90 -4.87 119.74 120.98 3gga s LYS 43 Ca -0.09 -0.73 -0.18 0.00 0.02 0.00 0.00 55.97 54.99 3gga s LYS 43 Cb -0.04 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 34.47 3gga s LYS 43 CO 0.03 0.53 1.09 -1.25 -0.92 0.00 0.00 175.35 174.83 3gga s PRO 44 N -2.82 3.34 -0.09 -1.68 0.04 -1.26 0.38 135.00 132.92 3gga s PRO 44 Ca 0.31 1.44 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 3gga s PRO 44 Cb -0.11 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.45 3gga s PRO 44 CO 0.24 -0.83 0.41 0.21 0.04 0.00 0.00 177.00 177.07 3gga s LYS 45 N -3.57 0.63 -0.14 4.56 2.20 0.12 -4.81 119.74 118.73 3gga s LYS 45 Ca 0.69 0.23 -0.06 0.00 -0.36 0.00 0.00 55.97 56.47 3gga s LYS 45 Cb -0.20 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 3gga s LYS 45 CO 0.30 -0.14 0.07 -1.64 -0.36 0.00 0.00 175.35 173.58 3gga s MET 46 N -0.57 3.58 0.03 4.03 -1.94 -1.26 -0.25 119.30 122.91 3gga s MET 46 Ca -0.07 -0.30 0.04 0.00 -1.71 0.00 0.00 55.69 53.65 3gga s MET 46 Cb -0.04 -3.10 -0.02 0.00 2.01 0.00 0.00 34.83 33.68 3gga s MET 46 CO 0.03 0.52 -0.12 0.96 -0.01 0.00 0.00 175.02 176.41 3gga s ILE 47 N -0.34 0.93 -0.08 2.53 -4.36 -0.76 -4.98 121.20 114.13 3gga s ILE 47 Ca 0.09 -0.85 -0.00 0.00 -0.26 0.00 0.00 60.65 59.63 3gga s ILE 47 Cb -0.12 -0.85 -0.03 0.00 1.25 0.00 0.00 42.46 42.71 3gga s ILE 47 CO 0.02 0.00 -0.06 -0.83 0.24 0.00 0.00 174.94 174.31 3gga s GLY 48 N -0.96 1.72 0.00 6.27 0.00 -1.26 -1.17 107.32 111.92 3gga s GLY 48 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3gga s GLY 48 CO 0.01 -0.58 0.00 0.61 0.00 0.00 0.00 173.10 173.13 3gga n GLY 49 N 2.36 7.05 0.27 0.20 0.00 -0.05 -4.98 105.19 110.05 3gga n GLY 49 Ca -0.18 -1.92 0.18 0.00 0.00 0.00 0.00 46.02 44.10 3gga n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3gga h ILE 50 N 0.08 0.00 -0.26 -0.61 6.09 -2.04 -3.04 117.51 117.74 3gga h ILE 50 Ca 0.00 -0.36 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 3gga h ILE 50 Cb 0.00 1.32 0.00 0.00 0.47 0.00 0.00 36.82 38.61 3gga h ILE 50 CO 0.00 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.69 3gga n GLY 51 N -0.23 1.44 0.00 8.18 0.00 -1.26 -5.09 105.19 108.22 3gga n GLY 51 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3gga n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gga n GLY 52 N 0.87 0.03 3.89 -0.02 0.00 -1.15 -5.09 105.19 103.72 3gga n GLY 52 Ca 0.12 -2.25 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 3gga n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gga s PHE 53 N 0.00 3.45 0.17 1.61 0.40 -1.26 -0.87 117.98 121.47 3gga s PHE 53 Ca 0.00 0.22 0.09 0.00 -0.60 0.00 0.00 56.93 56.64 3gga s PHE 53 Cb 0.00 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 3gga s PHE 53 CO 0.00 0.58 -0.18 0.96 0.70 0.00 0.00 175.22 177.28 3gga s ILE 54 N -1.47 1.83 -0.13 0.64 -4.36 -0.32 -4.97 121.20 112.42 3gga s ILE 54 Ca 0.33 -1.93 -0.15 0.00 -0.26 0.00 0.00 60.65 58.64 3gga s ILE 54 Cb -0.13 -1.86 -0.05 0.00 1.25 0.00 0.00 42.46 41.68 3gga s ILE 54 CO 0.26 -0.32 0.35 -0.75 0.24 0.00 0.00 174.94 174.71 3gga s LYS 55 N -2.83 4.20 0.18 0.37 2.20 -1.26 -1.84 119.74 120.76 3gga s LYS 55 Ca 0.16 0.22 0.03 0.00 -0.36 0.00 0.00 55.97 56.02 3gga s LYS 55 Cb -0.06 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 3gga s LYS 55 CO 0.07 0.30 -0.04 0.14 -0.36 0.00 0.00 175.35 175.46 3gga s VAL 56 N 0.25 0.95 -0.16 4.02 -7.23 0.65 -4.48 120.40 114.39 3gga s VAL 56 Ca 0.20 -2.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.21 3gga s VAL 56 Cb -0.14 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 3gga s VAL 56 CO 0.07 -0.54 0.29 -0.13 -0.31 0.00 0.00 175.10 174.49 3gga s ARG 57 N -3.84 4.25 -0.35 4.82 0.52 0.80 -0.70 118.95 124.45 3gga s ARG 57 Ca 0.22 0.10 -0.12 0.00 -0.52 0.00 0.00 55.73 55.41 3gga s ARG 57 Cb 0.05 -3.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.09 3gga s ARG 57 CO 0.04 0.24 0.23 -1.14 0.02 0.00 0.00 175.30 174.69 3gga s GLN 58 N 0.45 3.33 -0.27 3.54 0.74 0.16 -0.56 119.66 127.05 3gga s GLN 58 Ca 0.17 -0.75 -0.08 0.00 0.05 0.00 0.00 55.36 54.74 3gga s GLN 58 Cb -0.13 -3.77 -0.02 0.00 1.10 0.00 0.00 33.01 30.19 3gga s GLN 58 CO 0.04 -0.50 0.10 0.71 -0.55 0.00 0.00 175.29 175.08 3gga s TYR 59 N 1.68 3.12 0.46 1.67 1.51 0.13 -2.12 117.35 123.79 3gga s TYR 59 Ca 0.05 -0.53 -0.14 0.00 -1.01 0.00 0.00 57.07 55.45 3gga s TYR 59 Cb -0.18 -2.28 -0.07 0.00 -0.11 0.00 0.00 41.96 39.32 3gga s TYR 59 CO 0.09 -0.41 0.88 -0.51 -1.11 0.00 0.00 175.55 174.50 3gga s ASP 60 N 1.60 6.59 -1.13 2.29 1.01 -1.26 -0.46 116.67 125.31 3gga s ASP 60 Ca 0.05 1.38 -0.23 0.00 0.71 0.00 0.00 52.55 54.46 3gga s ASP 60 Cb -0.16 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3gga s ASP 60 CO 0.04 -0.49 0.77 0.00 0.21 0.00 0.00 175.17 175.70 3gga n GLN 61 N -1.40 -1.02 -3.91 8.23 6.02 -1.12 -4.89 117.38 119.30 3gga n GLN 61 Ca 0.05 0.41 -0.36 0.00 -0.01 0.00 0.00 57.00 57.09 3gga n GLN 61 Cb 0.54 -3.75 -0.08 0.00 1.02 0.00 0.00 30.24 27.97 3gga n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3gga s ILE 62 N -3.45 5.24 0.15 5.09 -1.09 -0.14 -4.78 121.20 122.22 3gga s ILE 62 Ca 0.45 0.12 -0.30 0.00 -2.23 0.00 0.00 60.65 58.69 3gga s ILE 62 Cb -0.18 -3.32 -0.07 0.00 -1.58 0.00 0.00 42.46 37.30 3gga s ILE 62 CO 0.88 0.54 1.18 -0.22 -1.23 0.00 0.00 174.94 176.09 3gga s LEU 63 N -0.36 4.43 -0.02 2.97 2.96 -1.26 -2.42 118.68 124.98 3gga s LEU 63 Ca 0.11 2.14 -0.01 0.00 -0.22 0.00 0.00 54.13 56.15 3gga s LEU 63 Cb -0.12 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 43.00 3gga s LEU 63 CO 0.01 -0.37 0.05 -0.51 -1.32 0.00 0.00 176.35 174.21 3gga s ILE 64 N 0.24 -0.04 -0.43 6.68 2.07 -0.01 -4.55 121.20 125.17 3gga s ILE 64 Ca 0.54 0.14 -0.15 0.00 -1.41 0.00 0.00 60.65 59.78 3gga s ILE 64 Cb -0.31 -0.09 0.04 0.00 0.13 0.00 0.00 42.46 42.23 3gga s ILE 64 CO 0.34 0.06 0.32 -0.70 -1.91 0.00 0.00 174.94 173.05 3gga s GLU 65 N 0.75 2.94 -0.35 3.50 2.56 -0.56 -0.89 118.70 126.65 3gga s GLU 65 Ca -0.06 -1.17 -0.07 0.00 0.00 0.00 0.00 54.97 53.67 3gga s GLU 65 Cb -0.09 -4.00 0.04 0.00 2.00 0.00 0.00 34.13 32.08 3gga s GLU 65 CO -0.02 -0.86 0.13 0.42 -0.56 0.00 0.00 175.26 174.37 3gga s ILE 66 N 1.64 3.89 -1.29 -3.70 1.01 0.70 -1.00 121.20 122.45 3gga s ILE 66 Ca 0.04 -1.16 -0.10 0.00 0.00 0.00 0.00 60.65 59.43 3gga s ILE 66 Cb -0.21 -3.24 -0.00 0.00 0.01 0.00 0.00 42.46 39.02 3gga s ILE 66 CO 0.08 -0.24 0.58 0.00 0.00 0.00 0.00 174.94 175.37 3gga n GLY 68 N -1.86 2.04 3.53 0.00 0.00 -1.26 -4.90 105.19 102.73 3gga n GLY 68 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 3gga n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gga s HIS 69 N -2.99 3.14 -0.14 1.61 4.02 -0.00 -5.08 115.29 115.85 3gga s HIS 69 Ca 0.00 -0.20 -0.25 0.00 1.02 0.00 0.00 55.06 55.63 3gga s HIS 69 Cb 0.00 -2.12 -0.02 0.00 -1.02 0.00 0.00 32.58 29.42 3gga s HIS 69 CO 0.00 -0.09 0.81 0.15 1.02 0.00 0.00 174.74 176.63 3gga s LYS 70 N 0.89 4.34 0.09 1.40 1.02 -1.26 -0.22 119.74 126.00 3gga s LYS 70 Ca 0.03 1.01 0.07 0.00 0.02 0.00 0.00 55.97 57.10 3gga s LYS 70 Cb -0.14 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 3gga s LYS 70 CO 0.02 -0.23 -0.18 0.00 -0.92 0.00 0.00 175.35 174.04 3gga s ALA 71 N 1.81 1.53 -0.11 5.17 0.00 -0.06 -4.80 121.76 125.29 3gga s ALA 71 Ca 0.39 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 3gga s ALA 71 Cb -0.17 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.79 3gga s ALA 71 CO 0.15 0.28 -0.09 0.42 0.00 0.00 0.00 175.76 176.52 3gga s ILE 72 N -1.18 1.09 0.00 0.00 1.01 -1.26 -0.83 121.20 120.03 3gga s ILE 72 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.33 3gga s ILE 72 Cb -0.10 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.29 3gga s ILE 72 CO 0.03 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3gga n GLY 73 N 4.78 0.60 3.71 6.18 0.00 -1.02 -4.88 105.19 114.57 3gga n GLY 73 Ca -0.14 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 3gga n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gga s THR 74 N -2.04 4.25 -0.05 2.61 2.01 -1.26 -0.96 115.64 120.19 3gga s THR 74 Ca 0.00 1.62 0.03 0.00 0.31 0.00 0.00 61.69 63.66 3gga s THR 74 Cb 0.00 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.47 3gga s THR 74 CO 0.00 0.13 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.21 3gga s VAL 75 N 1.02 1.34 -0.01 3.82 1.01 0.39 -4.46 120.40 123.51 3gga s VAL 75 Ca 0.57 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 3gga s VAL 75 Cb -0.27 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3gga s VAL 75 CO 0.29 0.39 0.06 -0.76 0.00 0.00 0.00 175.10 175.08 3gga s LEU 76 N 0.27 3.81 -0.07 3.92 1.43 -0.29 -0.70 118.68 127.05 3gga s LEU 76 Ca -0.08 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 3gga s LEU 76 Cb -0.13 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 43.93 3gga s LEU 76 CO 0.03 0.28 -0.08 -0.69 0.23 0.00 0.00 176.35 176.12 3gga s VAL 77 N -1.15 0.90 -0.31 -1.59 1.01 0.28 -0.48 120.40 119.07 3gga s VAL 77 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3gga s VAL 77 Cb -0.12 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3gga s VAL 77 CO 0.12 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3gga n GLY 78 N 4.22 -0.96 2.68 4.51 0.00 -1.11 -0.14 105.19 114.40 3gga n GLY 78 Ca -0.20 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 3gga n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gga n PRO 79 N 0.00 2.72 -3.84 1.61 -0.04 -1.26 -3.77 135.00 130.42 3gga n PRO 79 Ca 0.00 -2.24 -0.37 0.00 -0.04 0.00 0.00 63.50 60.85 3gga n PRO 79 Cb 0.00 -3.01 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 3gga n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3gga s THR 80 N 3.31 5.46 0.37 0.52 -1.32 -1.26 -5.01 115.64 117.71 3gga s THR 80 Ca 0.54 0.28 0.05 0.00 -1.21 0.00 0.00 61.69 61.34 3gga s THR 80 Cb 0.15 -3.44 0.24 0.00 -1.51 0.00 0.00 72.50 67.94 3gga s THR 80 CO -0.04 0.62 2.00 -0.65 -2.21 0.00 0.00 174.62 174.34 3gga h PRO 81 N 4.95 0.64 -4.45 7.08 0.11 -1.98 -3.43 132.00 134.91 3gga h PRO 81 Ca -0.55 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 65.30 3gga h PRO 81 Cb 1.23 -0.13 -0.17 0.00 0.11 0.00 0.00 31.00 32.03 3gga h PRO 81 CO 0.58 0.47 -0.70 0.14 -0.21 0.00 0.00 178.00 178.28 3gga s VAL 82 N -5.46 0.47 0.09 3.15 -7.23 -1.26 -5.04 120.40 105.11 3gga s VAL 82 Ca -0.09 -1.60 -0.30 0.00 -1.81 0.00 0.00 61.98 58.18 3gga s VAL 82 Cb 0.17 -1.24 -0.06 0.00 0.56 0.00 0.00 36.38 35.81 3gga s VAL 82 CO 0.75 -0.75 1.08 0.20 -0.31 0.00 0.00 175.10 176.07 3gga s ASN 83 N -2.51 7.26 -0.09 4.85 0.01 -1.26 -4.59 114.94 118.61 3gga s ASN 83 Ca 0.03 1.92 0.01 0.00 -0.71 0.00 0.00 52.86 54.10 3gga s ASN 83 Cb 0.01 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.10 3gga s ASN 83 CO -0.05 -0.29 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.53 3gga s ILE 84 N 0.52 1.04 -0.52 0.60 1.01 0.10 -0.08 121.20 123.87 3gga s ILE 84 Ca 0.53 -0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 3gga s ILE 84 Cb -0.27 -1.02 0.07 0.00 0.01 0.00 0.00 42.46 41.26 3gga s ILE 84 CO 0.31 0.36 0.60 -0.63 0.00 0.00 0.00 174.94 175.58 3gga s ILE 85 N 1.29 4.92 0.41 2.92 -1.09 -0.06 -0.84 121.20 128.75 3gga s ILE 85 Ca -0.03 -0.67 -0.07 0.00 -2.23 0.00 0.00 60.65 57.66 3gga s ILE 85 Cb -0.14 -4.31 0.09 0.00 -1.58 0.00 0.00 42.46 36.53 3gga s ILE 85 CO -0.03 -0.83 0.56 0.61 -1.23 0.00 0.00 174.94 174.01 3gga n GLY 86 N 5.19 -1.20 0.17 6.18 0.00 -1.20 -1.95 105.19 112.38 3gga n GLY 86 Ca -0.08 -1.70 -0.01 0.00 0.00 0.00 0.00 46.02 44.23 3gga n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gga h ARG 87 N 0.00 0.10 -0.84 1.61 3.08 -0.61 -2.42 114.38 115.30 3gga h ARG 87 Ca -0.18 -0.06 0.18 0.00 0.07 0.00 0.00 59.98 59.99 3gga h ARG 87 Cb 0.50 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 3gga h ARG 87 CO 0.13 0.58 0.56 -2.95 -1.07 0.00 0.00 179.97 177.22 3gga h ASN 88 N 0.08 0.42 0.00 7.04 -1.07 -1.79 -1.88 115.58 118.38 3gga h ASN 88 Ca 0.00 0.03 -0.10 0.00 0.07 0.00 0.00 56.30 56.31 3gga h ASN 88 Cb 0.92 -0.05 -0.02 0.00 -2.07 0.00 0.00 38.32 37.10 3gga h ASN 88 CO 0.07 0.19 -2.08 0.18 0.07 0.00 0.00 177.43 175.86 3gga n LEU 89 N -4.50 0.00 -0.19 6.14 4.77 -1.16 -4.26 117.00 117.80 3gga n LEU 89 Ca 0.17 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 3gga n LEU 89 Cb 0.61 0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.89 3gga n LEU 89 CO 0.31 0.13 0.83 -0.07 -1.33 0.00 0.00 177.39 177.27 3gga h LEU 90 N 0.00 0.98 -0.27 2.23 3.38 -1.03 -3.00 115.31 117.60 3gga h LEU 90 Ca -0.14 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 3gga h LEU 90 Cb 1.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3gga h LEU 90 CO 0.01 1.04 0.17 0.71 0.09 0.00 0.00 178.44 180.46 3gga h THR 91 N 0.92 1.10 -0.88 0.22 1.35 -1.56 -1.01 112.91 113.05 3gga h THR 91 Ca 0.17 -0.23 0.09 0.00 -0.55 0.00 0.00 66.41 65.88 3gga h THR 91 Cb 0.55 0.76 -0.07 0.00 -1.73 0.00 0.00 68.15 67.66 3gga h THR 91 CO 0.03 0.10 0.53 1.56 -0.25 0.00 0.00 175.52 177.49 3gga h GLN 92 N 0.35 0.89 -0.08 4.72 4.20 -1.72 -0.43 115.11 123.03 3gga h GLN 92 Ca 0.10 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3gga h GLN 92 Cb 0.01 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.59 3gga h GLN 92 CO -0.02 0.59 0.00 0.44 -0.67 0.00 0.00 178.83 179.17 3gga n ILE 93 N -4.66 0.11 -1.76 2.54 -5.35 -1.14 -4.90 119.36 104.19 3gga n ILE 93 Ca 0.14 -0.17 -0.08 0.00 -0.27 0.00 0.00 62.75 62.38 3gga n ILE 93 Cb 0.25 0.03 -0.02 0.00 -1.74 0.00 0.00 39.64 38.16 3gga n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gga n GLY 94 N 0.92 0.43 3.72 3.28 0.00 -0.17 -5.01 105.19 108.37 3gga n GLY 94 Ca 0.14 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 3gga n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gga s THR 96 N 0.65 0.93 0.06 0.00 -4.23 -1.26 -4.56 115.64 107.23 3gga s THR 96 Ca 0.52 -1.86 -0.19 0.00 -1.18 0.00 0.00 61.69 58.98 3gga s THR 96 Cb -0.24 -1.60 -0.06 0.00 1.34 0.00 0.00 72.50 71.93 3gga s THR 96 CO 0.29 -0.71 0.57 -0.76 -0.54 0.00 0.00 174.62 173.47 3gga s LEU 97 N -2.85 4.51 -0.05 4.79 1.43 -1.26 -5.09 118.68 120.16 3gga s LEU 97 Ca 0.11 1.24 -0.01 0.00 -1.03 0.00 0.00 54.13 54.44 3gga s LEU 97 Cb 0.01 -2.90 0.03 0.00 0.03 0.00 0.00 46.19 43.36 3gga s LEU 97 CO -0.01 0.25 0.02 0.20 0.23 0.00 0.00 176.35 177.03 3gga s ASN 98 N -0.96 1.27 0.00 2.29 0.01 -1.26 -5.30 114.94 111.00 3gga s ASN 98 Ca 0.29 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.42 3gga s ASN 98 Cb -0.19 -0.31 0.00 0.00 0.41 0.00 0.00 41.25 41.16 3gga s ASN 98 CO 0.19 -0.20 0.00 2.22 -1.51 0.00 0.00 177.10 177.80