#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p3a s GLN 2 N 0.00 3.93 -0.21 0.54 0.74 -1.26 -5.09 119.66 118.31 2p3a s GLN 2 Ca 0.00 -0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.18 2p3a s GLN 2 Cb 0.00 -3.29 0.03 0.00 1.10 0.00 0.00 33.01 30.85 2p3a s GLN 2 CO 0.00 0.41 -0.16 0.42 -0.55 0.00 0.00 175.29 175.41 2p3a s ILE 3 N 0.02 2.20 0.93 -2.34 1.01 -1.26 -5.12 121.20 116.64 2p3a s ILE 3 Ca 0.08 -1.10 -0.14 0.00 0.00 0.00 0.00 60.65 59.49 2p3a s ILE 3 Cb -0.12 -2.03 0.19 0.00 0.01 0.00 0.00 42.46 40.51 2p3a s ILE 3 CO -0.00 0.37 1.29 0.42 0.00 0.00 0.00 174.94 177.02 2p3a s THR 4 N 1.25 2.01 -0.13 2.92 -4.23 -1.26 -5.00 115.64 111.21 2p3a s THR 4 Ca 0.01 -0.05 0.17 0.00 -1.18 0.00 0.00 61.69 60.64 2p3a s THR 4 Cb -0.15 -2.96 0.28 0.00 1.34 0.00 0.00 72.50 71.01 2p3a s THR 4 CO -0.10 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.30 2p3a n LEU 5 N -3.66 2.18 0.03 4.79 4.77 -1.26 -4.56 117.00 119.29 2p3a n LEU 5 Ca 0.15 -2.99 0.03 0.00 -0.03 0.00 0.00 56.01 53.17 2p3a n LEU 5 Cb 0.60 -0.40 0.40 0.00 -2.33 0.00 0.00 43.42 41.68 2p3a n LEU 5 CO 0.46 0.74 1.06 -0.50 -1.33 0.00 0.00 177.39 177.82 2p3a h TRP 6 N 0.11 0.46 -2.49 -1.77 4.06 -2.06 -3.42 115.95 110.84 2p3a h TRP 6 Ca -0.00 -0.01 -0.52 0.00 2.06 0.00 0.00 58.89 60.42 2p3a h TRP 6 Cb 1.04 -0.15 -0.14 0.00 -1.00 0.00 0.00 29.16 28.92 2p3a h TRP 6 CO 0.09 0.37 -0.62 0.21 -3.56 0.00 0.00 178.44 174.93 2p3a s LYS 7 N -5.22 1.72 0.19 0.49 2.47 -1.26 -5.10 119.74 113.04 2p3a s LYS 7 Ca -0.07 -1.95 -0.32 0.00 -1.56 0.00 0.00 55.97 52.07 2p3a s LYS 7 Cb 0.17 -1.13 -0.15 0.00 -1.46 0.00 0.00 37.83 35.26 2p3a s LYS 7 CO 0.74 -0.11 1.19 0.54 0.16 0.00 0.00 175.35 177.86 2p3a n ARG 8 N -0.75 1.30 -2.68 4.03 1.74 -1.26 -4.83 116.66 114.21 2p3a n ARG 8 Ca -0.03 0.46 -0.43 0.00 -0.77 0.00 0.00 57.85 57.08 2p3a n ARG 8 Cb 0.66 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 2p3a n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2p3a n PRO 9 N 1.72 3.25 -3.33 5.56 -0.04 -1.26 -4.96 135.00 135.94 2p3a n PRO 9 Ca 0.14 -3.45 -0.38 0.00 -0.04 0.00 0.00 63.50 59.77 2p3a n PRO 9 Cb 0.26 -3.34 -0.06 0.00 -0.04 0.00 0.00 33.50 30.32 2p3a n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2p3a s LEU 10 N 3.30 4.49 0.10 1.53 1.43 -1.26 -0.86 118.68 127.41 2p3a s LEU 10 Ca 0.50 1.18 0.04 0.00 -1.03 0.00 0.00 54.13 54.83 2p3a s LEU 10 Cb 0.02 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2p3a s LEU 10 CO 0.05 0.26 -0.11 0.68 0.23 0.00 0.00 176.35 177.45 2p3a s VAL 11 N -1.16 1.07 0.31 -1.59 -7.23 0.62 -4.94 120.40 107.47 2p3a s VAL 11 Ca 0.29 -1.65 -0.27 0.00 -1.81 0.00 0.00 61.98 58.55 2p3a s VAL 11 Cb -0.18 -1.39 -0.10 0.00 0.56 0.00 0.00 36.38 35.27 2p3a s VAL 11 CO 0.18 -0.50 0.97 0.42 -0.31 0.00 0.00 175.10 175.86 2p3a s THR 12 N -2.29 4.06 0.14 5.32 -4.23 -1.26 -0.29 115.64 117.09 2p3a s THR 12 Ca 0.06 1.82 0.05 0.00 -1.18 0.00 0.00 61.69 62.44 2p3a s THR 12 Cb -0.04 -4.06 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 2p3a s THR 12 CO 0.01 0.24 -0.12 0.27 -0.54 0.00 0.00 174.62 174.48 2p3a s ILE 13 N -1.47 1.26 -0.13 2.99 -4.36 0.98 -4.52 121.20 115.95 2p3a s ILE 13 Ca 0.48 -1.92 -0.01 0.00 -0.26 0.00 0.00 60.65 58.94 2p3a s ILE 13 Cb -0.22 -1.72 0.03 0.00 1.25 0.00 0.00 42.46 41.81 2p3a s ILE 13 CO 0.28 -0.60 -0.06 -0.75 0.24 0.00 0.00 174.94 174.05 2p3a s LYS 14 N -3.29 1.39 -0.04 0.37 2.20 0.10 -1.04 119.74 119.43 2p3a s LYS 14 Ca 0.14 -0.32 -0.03 0.00 -0.36 0.00 0.00 55.97 55.40 2p3a s LYS 14 Cb -0.01 -1.70 0.02 0.00 -1.51 0.00 0.00 37.83 34.63 2p3a s LYS 14 CO 0.02 -0.34 0.10 -1.50 -0.36 0.00 0.00 175.35 173.27 2p3a s ILE 15 N 1.71 -0.02 -1.41 5.43 2.07 -0.00 -1.12 121.20 127.85 2p3a s ILE 15 Ca 0.03 0.08 -0.08 0.00 -1.41 0.00 0.00 60.65 59.27 2p3a s ILE 15 Cb -0.14 -0.16 0.05 0.00 0.13 0.00 0.00 42.46 42.34 2p3a s ILE 15 CO -0.08 0.03 0.60 0.61 -1.91 0.00 0.00 174.94 174.19 2p3a n GLY 16 N 3.50 -0.50 2.61 1.50 0.00 -1.26 -0.52 105.19 110.52 2p3a n GLY 16 Ca -0.18 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2p3a n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p3a n GLY 17 N -1.38 0.42 3.50 -0.02 0.00 -1.26 -5.00 105.19 101.46 2p3a n GLY 17 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2p3a n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p3a s GLN 18 N -0.58 2.04 -0.15 1.61 -0.21 0.33 -5.11 119.66 117.58 2p3a s GLN 18 Ca 0.00 -1.03 -0.08 0.00 0.02 0.00 0.00 55.36 54.27 2p3a s GLN 18 Cb 0.00 -2.22 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 2p3a s GLN 18 CO 0.00 0.52 0.14 -0.51 -2.12 0.00 0.00 175.29 173.32 2p3a s LEU 19 N -1.81 4.31 0.04 2.90 1.43 -1.26 -0.82 118.68 123.48 2p3a s LEU 19 Ca 0.17 0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 2p3a s LEU 19 Cb -0.11 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 2p3a s LEU 19 CO 0.09 0.32 -0.00 -0.54 0.23 0.00 0.00 176.35 176.44 2p3a s LYS 20 N -0.47 0.55 -0.02 1.70 1.02 -0.21 -4.99 119.74 117.33 2p3a s LYS 20 Ca 0.12 -1.00 -0.03 0.00 0.02 0.00 0.00 55.97 55.08 2p3a s LYS 20 Cb -0.12 0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 2p3a s LYS 20 CO 0.02 -0.11 0.17 -2.00 -0.92 0.00 0.00 175.35 172.50 2p3a s GLU 21 N -3.16 3.40 0.01 1.68 2.12 -1.26 -0.02 118.70 121.47 2p3a s GLU 21 Ca -0.00 -0.31 -0.08 0.00 0.36 0.00 0.00 54.97 54.94 2p3a s GLU 21 Cb 0.02 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.33 2p3a s GLU 21 CO -0.07 0.69 0.15 0.00 -0.54 0.00 0.00 175.26 175.48 2p3a s ALA 22 N -1.27 -0.31 -0.18 6.30 0.00 0.60 -4.40 121.76 122.50 2p3a s ALA 22 Ca 0.25 -0.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 2p3a s ALA 22 Cb -0.12 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2p3a s ALA 22 CO 0.16 -0.25 0.50 -1.17 0.00 0.00 0.00 175.76 175.00 2p3a s LEU 23 N -1.59 4.18 -0.32 0.00 2.96 0.11 -0.28 118.68 123.74 2p3a s LEU 23 Ca -0.12 0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 54.20 2p3a s LEU 23 Cb -0.06 -2.69 -0.00 0.00 0.50 0.00 0.00 46.19 43.94 2p3a s LEU 23 CO 0.00 -0.12 1.41 -0.76 -1.32 0.00 0.00 176.35 175.56 2p3a s LEU 24 N 1.34 3.77 -0.33 -0.68 1.43 -0.04 0.22 118.68 124.39 2p3a s LEU 24 Ca 0.24 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 2p3a s LEU 24 Cb -0.15 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.63 2p3a s LEU 24 CO 0.10 -1.25 0.09 -0.62 0.23 0.00 0.00 176.35 174.90 2p3a s ASP 25 N 3.54 4.30 0.22 2.29 -1.08 0.02 -4.75 116.67 121.20 2p3a s ASP 25 Ca 0.61 -1.93 0.23 0.00 -0.52 0.00 0.00 52.55 50.94 2p3a s ASP 25 Cb -0.17 -1.18 0.92 0.00 -1.46 0.00 0.00 42.92 41.02 2p3a s ASP 25 CO 0.28 -0.39 1.70 0.35 0.52 0.00 0.00 175.17 177.63 2p3a n THR 26 N 4.50 0.78 0.74 1.71 -2.24 -1.26 -1.97 114.28 116.54 2p3a n THR 26 Ca 0.01 0.14 0.06 0.00 -2.27 0.00 0.00 64.05 62.00 2p3a n THR 26 Cb 0.41 -1.03 0.17 0.00 -2.10 0.00 0.00 70.33 67.79 2p3a n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p3a n GLY 27 N 0.25 0.87 3.22 3.38 0.00 -1.26 -4.81 105.19 106.84 2p3a n GLY 27 Ca 0.03 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 2p3a n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p3a s ALA 28 N -1.48 2.58 0.14 4.61 0.00 -0.83 -4.99 121.76 121.80 2p3a s ALA 28 Ca 0.26 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.93 2p3a s ALA 28 Cb 0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 2p3a s ALA 28 CO 0.18 -0.38 1.50 -0.44 0.00 0.00 0.00 175.76 176.62 2p3a h ASP 29 N 8.00 0.99 -1.47 0.00 3.32 -1.87 0.21 116.42 125.60 2p3a h ASP 29 Ca -0.43 -0.44 -0.60 0.00 0.02 0.00 0.00 57.03 55.59 2p3a h ASP 29 Cb 1.15 -0.28 -0.10 0.00 0.22 0.00 0.00 39.33 40.33 2p3a h ASP 29 CO 0.62 1.21 -0.52 -1.81 -1.72 0.00 0.00 179.24 177.02 2p3a s ASP 30 N -6.75 4.24 -0.19 6.45 1.01 -1.26 -1.77 116.67 118.39 2p3a s ASP 30 Ca -0.11 -1.22 -0.06 0.00 0.71 0.00 0.00 52.55 51.86 2p3a s ASP 30 Cb 0.11 -0.33 -0.03 0.00 1.01 0.00 0.00 42.92 43.68 2p3a s ASP 30 CO 0.87 -0.57 0.03 -0.89 0.21 0.00 0.00 175.17 174.83 2p3a s THR 31 N -2.66 4.36 -0.11 -1.27 2.01 -1.26 -2.94 115.64 113.76 2p3a s THR 31 Ca 0.36 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.18 2p3a s THR 31 Cb 0.05 -2.97 0.02 0.00 0.01 0.00 0.00 72.50 69.62 2p3a s THR 31 CO 0.20 0.44 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.78 2p3a s VAL 32 N 0.70 1.13 0.13 3.82 1.01 0.20 -0.09 120.40 127.31 2p3a s VAL 32 Ca 0.02 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.71 2p3a s VAL 32 Cb -0.14 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2p3a s VAL 32 CO 0.02 0.38 -0.12 -0.76 0.00 0.00 0.00 175.10 174.63 2p3a s LEU 33 N 1.54 2.94 0.96 3.92 1.43 0.15 0.57 118.68 130.19 2p3a s LEU 33 Ca 0.03 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 2p3a s LEU 33 Cb -0.13 -1.71 0.17 0.00 0.03 0.00 0.00 46.19 44.55 2p3a s LEU 33 CO -0.07 0.15 1.11 -0.62 0.23 0.00 0.00 176.35 177.16 2p3a n GLU 34 N 0.51 -0.81 -1.66 1.70 1.02 -1.26 -1.71 120.64 118.43 2p3a n GLU 34 Ca -0.13 -0.17 -0.59 0.00 -0.02 0.00 0.00 57.16 56.24 2p3a n GLU 34 Cb 0.53 -2.34 -0.08 0.00 -0.02 0.00 0.00 31.44 29.54 2p3a n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2p3a n GLU 35 N -4.34 0.72 -3.63 3.49 4.07 -1.21 -4.58 120.64 115.16 2p3a n GLU 35 Ca 0.10 0.26 -0.15 0.00 -0.06 0.00 0.00 57.16 57.31 2p3a n GLU 35 Cb 0.52 -1.87 -0.07 0.00 -0.06 0.00 0.00 31.44 29.96 2p3a n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2p3a s MET 36 N 2.25 0.85 -0.47 5.31 0.23 -1.26 -5.06 119.30 121.15 2p3a s MET 36 Ca 0.96 0.30 -0.28 0.00 -1.03 0.00 0.00 55.69 55.64 2p3a s MET 36 Cb -1.17 0.40 -0.02 0.00 -1.53 0.00 0.00 34.83 32.51 2p3a s MET 36 CO 0.64 -0.22 1.78 0.00 -2.03 0.00 0.00 175.02 175.20 2p3a s ALA 37 N -0.79 2.57 0.00 3.16 0.00 -1.26 -4.98 121.76 120.46 2p3a s ALA 37 Ca -0.08 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.69 2p3a s ALA 37 Cb -0.03 -4.14 -0.04 0.00 0.00 0.00 0.00 23.12 18.92 2p3a s ALA 37 CO 0.06 -3.18 0.01 -0.51 0.00 0.00 0.00 175.76 172.14 2p3a s LEU 38 N 7.73 3.55 0.58 0.00 1.43 -1.26 -4.91 118.68 125.81 2p3a s LEU 38 Ca 0.72 -0.00 -0.13 0.00 -1.03 0.00 0.00 54.13 53.69 2p3a s LEU 38 Cb -0.17 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 2p3a s LEU 38 CO 0.28 0.27 1.02 -2.16 0.23 0.00 0.00 176.35 175.98 2p3a s PRO 39 N -1.62 3.70 0.07 1.29 0.04 -1.26 -5.00 135.00 132.22 2p3a s PRO 39 Ca 0.20 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2p3a s PRO 39 Cb -0.12 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2p3a s PRO 39 CO 0.11 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.08 2p3a n GLY 40 N -2.28 -3.04 3.82 0.56 0.00 -1.26 -5.01 105.19 97.98 2p3a n GLY 40 Ca 0.06 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 2p3a n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p3a s LYS 41 N -0.56 2.20 0.24 1.61 -2.85 -1.26 -5.10 119.74 114.02 2p3a s LYS 41 Ca 0.00 0.57 -0.14 0.00 -1.00 0.00 0.00 55.97 55.40 2p3a s LYS 41 Cb 0.00 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 2p3a s LYS 41 CO 0.00 -1.52 0.50 1.67 0.10 0.00 0.00 175.35 176.09 2p3a s TRP 42 N -3.22 0.23 0.02 1.78 1.48 -1.26 -4.72 118.94 113.25 2p3a s TRP 42 Ca 0.60 -0.60 0.05 0.00 -1.06 0.00 0.00 56.10 55.10 2p3a s TRP 42 Cb -0.14 0.26 -0.02 0.00 -1.16 0.00 0.00 33.47 32.42 2p3a s TRP 42 CO 0.53 -0.99 -0.15 0.15 -4.06 0.00 0.00 176.95 172.43 2p3a s LYS 43 N -3.98 1.10 0.20 3.25 -0.14 -0.52 -4.92 119.74 114.73 2p3a s LYS 43 Ca 0.19 -0.71 -0.30 0.00 -1.36 0.00 0.00 55.97 53.79 2p3a s LYS 43 Cb -0.01 -1.11 -0.08 0.00 -1.68 0.00 0.00 37.83 34.95 2p3a s LYS 43 CO 0.06 0.29 1.18 -1.25 -0.76 0.00 0.00 175.35 174.87 2p3a s PRO 44 N -0.87 4.51 0.12 -1.68 0.04 -1.26 0.24 135.00 136.09 2p3a s PRO 44 Ca 0.04 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 2p3a s PRO 44 Cb -0.07 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 2p3a s PRO 44 CO 0.01 -0.04 0.09 0.50 0.04 0.00 0.00 177.00 177.60 2p3a s ARG 45 N -0.43 0.91 -0.00 4.56 3.52 -0.05 -4.87 118.95 122.60 2p3a s ARG 45 Ca 0.51 -1.32 0.05 0.00 -0.13 0.00 0.00 55.73 54.84 2p3a s ARG 45 Cb -0.32 0.27 -0.01 0.00 -1.56 0.00 0.00 34.95 33.32 2p3a s ARG 45 CO 0.37 -0.27 -0.15 -1.64 -0.81 0.00 0.00 175.30 172.81 2p3a s MET 46 N -4.00 1.16 0.11 5.12 -1.94 -1.26 -0.07 119.30 118.42 2p3a s MET 46 Ca 0.19 -0.57 0.10 0.00 -1.71 0.00 0.00 55.69 53.69 2p3a s MET 46 Cb 0.07 -1.13 -0.04 0.00 2.01 0.00 0.00 34.83 35.74 2p3a s MET 46 CO -0.01 0.31 -0.24 0.96 -0.01 0.00 0.00 175.02 176.02 2p3a s ILE 47 N -0.42 2.00 0.01 2.53 -4.36 -0.50 -4.96 121.20 115.50 2p3a s ILE 47 Ca 0.05 -1.63 0.04 0.00 -0.26 0.00 0.00 60.65 58.86 2p3a s ILE 47 Cb -0.06 -1.78 -0.03 0.00 1.25 0.00 0.00 42.46 41.83 2p3a s ILE 47 CO -0.00 0.05 -0.10 -0.83 0.24 0.00 0.00 174.94 174.29 2p3a s GLY 48 N -1.91 1.69 0.00 6.27 0.00 -1.26 -1.49 107.32 110.61 2p3a s GLY 48 Ca 0.10 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2p3a s GLY 48 CO 0.05 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.81 2p3a n GLY 49 N 1.57 5.49 3.70 0.20 0.00 -0.05 -5.00 105.19 111.10 2p3a n GLY 49 Ca -0.16 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 2p3a n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p3a s ILE 50 N -0.71 2.65 0.00 -0.61 1.09 -1.26 -4.00 121.20 118.35 2p3a s ILE 50 Ca 0.00 0.32 0.00 0.00 -1.10 0.00 0.00 60.65 59.87 2p3a s ILE 50 Cb 0.00 -3.21 0.00 0.00 -1.06 0.00 0.00 42.46 38.19 2p3a s ILE 50 CO 0.00 0.01 0.00 0.61 -0.10 0.00 0.00 174.94 175.46 2p3a n GLY 51 N 3.95 1.67 1.68 6.18 0.00 -1.26 -4.89 105.19 112.52 2p3a n GLY 51 Ca 0.15 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2p3a n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p3a n GLY 52 N 0.00 3.74 3.74 -0.02 0.00 -1.26 -5.15 105.19 106.25 2p3a n GLY 52 Ca 0.00 -2.09 -0.28 0.00 0.00 0.00 0.00 46.02 43.64 2p3a n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2p3a s PHE 53 N -2.18 2.20 -0.10 1.61 -0.12 -1.26 -0.88 117.98 117.26 2p3a s PHE 53 Ca 0.07 -0.76 -0.10 0.00 -0.05 0.00 0.00 56.93 56.08 2p3a s PHE 53 Cb 0.00 -1.80 0.03 0.00 -0.63 0.00 0.00 43.02 40.62 2p3a s PHE 53 CO 0.05 0.16 0.29 0.14 -0.05 0.00 0.00 175.22 175.81 2p3a s VAL 54 N -2.74 0.01 0.23 -2.49 -7.23 -0.56 -4.96 120.40 102.65 2p3a s VAL 54 Ca 0.27 -0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 60.07 2p3a s VAL 54 Cb 0.04 -0.43 -0.09 0.00 0.56 0.00 0.00 36.38 36.46 2p3a s VAL 54 CO 0.15 -0.04 1.14 -0.54 -0.31 0.00 0.00 175.10 175.50 2p3a s LYS 55 N -0.06 4.56 0.16 4.82 1.02 -1.26 -1.42 119.74 127.57 2p3a s LYS 55 Ca -0.02 1.83 0.01 0.00 0.02 0.00 0.00 55.97 57.81 2p3a s LYS 55 Cb -0.03 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 2p3a s LYS 55 CO 0.01 0.06 0.01 0.14 -0.92 0.00 0.00 175.35 174.65 2p3a s VAL 56 N -0.57 0.54 -0.24 3.17 -7.23 0.90 -4.47 120.40 112.50 2p3a s VAL 56 Ca 0.49 -1.96 -0.10 0.00 -1.81 0.00 0.00 61.98 58.60 2p3a s VAL 56 Cb -0.32 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 2p3a s VAL 56 CO 0.39 -0.48 0.15 -0.13 -0.31 0.00 0.00 175.10 174.72 2p3a s ARG 57 N -3.95 4.02 -0.29 4.82 0.52 0.75 -0.87 118.95 123.96 2p3a s ARG 57 Ca 0.24 -0.30 -0.17 0.00 -0.52 0.00 0.00 55.73 54.98 2p3a s ARG 57 Cb 0.06 -3.51 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 2p3a s ARG 57 CO 0.03 0.03 0.49 -1.14 0.02 0.00 0.00 175.30 174.73 2p3a s GLN 58 N 1.13 3.92 -0.20 3.54 0.74 0.14 -0.47 119.66 128.46 2p3a s GLN 58 Ca 0.07 0.11 -0.05 0.00 0.05 0.00 0.00 55.36 55.54 2p3a s GLN 58 Cb -0.14 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.24 2p3a s GLN 58 CO 0.05 -0.43 0.00 0.71 -0.55 0.00 0.00 175.29 175.07 2p3a s TYR 59 N 2.29 3.05 0.26 1.67 1.51 0.20 -1.44 117.35 124.89 2p3a s TYR 59 Ca 0.19 -0.41 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 2p3a s TYR 59 Cb -0.16 -2.08 -0.05 0.00 -0.11 0.00 0.00 41.96 39.57 2p3a s TYR 59 CO 0.11 -0.20 0.51 -0.51 -1.11 0.00 0.00 175.55 174.34 2p3a s ASP 60 N 0.92 6.43 -1.39 2.29 1.01 -1.26 -0.56 116.67 124.11 2p3a s ASP 60 Ca 0.01 0.62 -0.03 0.00 0.71 0.00 0.00 52.55 53.86 2p3a s ASP 60 Cb -0.14 -2.10 0.02 0.00 1.01 0.00 0.00 42.92 41.70 2p3a s ASP 60 CO 0.02 -0.15 0.64 0.00 0.21 0.00 0.00 175.17 175.88 2p3a n GLN 61 N -0.86 -4.31 -3.47 8.23 6.02 -1.16 -4.87 117.38 116.95 2p3a n GLN 61 Ca -0.03 0.53 -0.37 0.00 -0.01 0.00 0.00 57.00 57.12 2p3a n GLN 61 Cb 0.54 -4.98 -0.07 0.00 1.02 0.00 0.00 30.24 26.75 2p3a n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2p3a s ILE 62 N -3.71 5.27 0.19 5.09 -1.09 0.42 -4.73 121.20 122.65 2p3a s ILE 62 Ca 0.12 0.66 -0.30 0.00 -2.23 0.00 0.00 60.65 58.90 2p3a s ILE 62 Cb -0.06 -3.68 -0.08 0.00 -1.58 0.00 0.00 42.46 37.05 2p3a s ILE 62 CO 0.85 0.37 1.22 -2.84 -1.23 0.00 0.00 174.94 173.30 2p3a s PRO 63 N 0.55 4.47 -0.16 2.79 0.02 -1.26 -0.77 135.00 140.63 2p3a s PRO 63 Ca 0.19 1.91 -0.09 0.00 0.02 0.00 0.00 61.00 63.04 2p3a s PRO 63 Cb -0.14 -3.23 0.06 0.00 0.02 0.00 0.00 34.50 31.22 2p3a s PRO 63 CO 0.06 -0.12 0.39 -1.50 -0.33 0.00 0.00 177.00 175.50 2p3a s ILE 64 N -0.04 -0.08 -0.26 2.83 2.07 -0.16 -4.33 121.20 121.24 2p3a s ILE 64 Ca 0.53 0.11 -0.08 0.00 -1.41 0.00 0.00 60.65 59.80 2p3a s ILE 64 Cb -0.33 -0.59 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 2p3a s ILE 64 CO 0.37 0.04 0.11 -0.70 -1.91 0.00 0.00 174.94 172.85 2p3a s GLU 65 N 1.49 3.76 -0.31 3.50 2.12 -0.28 -0.99 118.70 127.99 2p3a s GLU 65 Ca -0.09 -0.42 0.08 0.00 0.36 0.00 0.00 54.97 54.90 2p3a s GLU 65 Cb -0.09 -3.43 0.47 0.00 0.26 0.00 0.00 34.13 31.34 2p3a s GLU 65 CO -0.12 -0.17 1.38 -0.89 -0.54 0.00 0.00 175.26 174.91 2p3a n ILE 66 N 4.92 2.58 0.00 -3.70 5.41 -1.26 -0.72 119.36 126.59 2p3a n ILE 66 Ca -0.15 -3.38 0.00 0.00 1.00 0.00 0.00 62.75 60.22 2p3a n ILE 66 Cb 0.52 -0.66 0.00 0.00 -0.71 0.00 0.00 39.64 38.79 2p3a n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2p3a n GLY 68 N -0.97 0.00 3.26 7.39 0.00 -1.26 -4.71 105.19 108.91 2p3a n GLY 68 Ca 0.37 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 2p3a n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p3a s HIS 69 N 0.00 3.04 -0.06 1.61 4.02 -1.26 -5.07 115.29 117.58 2p3a s HIS 69 Ca 0.00 -1.24 -0.29 0.00 1.02 0.00 0.00 55.06 54.55 2p3a s HIS 69 Cb 0.00 -2.11 -0.02 0.00 -1.02 0.00 0.00 32.58 29.42 2p3a s HIS 69 CO 0.00 -0.64 0.95 0.15 1.02 0.00 0.00 174.74 176.22 2p3a s LYS 70 N 1.41 4.48 0.27 1.40 1.02 -1.26 -4.22 119.74 122.84 2p3a s LYS 70 Ca 0.03 1.32 0.02 0.00 0.02 0.00 0.00 55.97 57.36 2p3a s LYS 70 Cb -0.16 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 2p3a s LYS 70 CO -0.03 -0.15 0.13 0.14 -0.92 0.00 0.00 175.35 174.52 2p3a s VAL 71 N 1.42 0.35 -0.08 3.17 -7.23 -0.16 -4.98 120.40 112.89 2p3a s VAL 71 Ca 0.48 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.62 2p3a s VAL 71 Cb -0.19 -2.56 0.04 0.00 0.56 0.00 0.00 36.38 34.24 2p3a s VAL 71 CO 0.22 0.00 0.18 -0.63 -0.31 0.00 0.00 175.10 174.56 2p3a s ILE 72 N -3.75 -0.13 0.00 -0.62 1.01 -1.26 -0.99 121.20 115.46 2p3a s ILE 72 Ca 0.37 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.25 2p3a s ILE 72 Cb 0.06 -0.30 0.00 0.00 0.01 0.00 0.00 42.46 42.24 2p3a s ILE 72 CO 0.15 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.80 2p3a n GLY 73 N 4.59 1.18 3.72 6.18 0.00 0.05 -4.81 105.19 116.10 2p3a n GLY 73 Ca -0.19 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 2p3a n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p3a s THR 74 N -2.49 4.37 -0.06 2.61 2.01 -1.26 -0.43 115.64 120.38 2p3a s THR 74 Ca 0.00 1.89 0.03 0.00 0.31 0.00 0.00 61.69 63.92 2p3a s THR 74 Cb 0.00 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.31 2p3a s THR 74 CO 0.00 0.25 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.34 2p3a s VAL 75 N 0.29 1.34 -0.13 3.82 1.01 0.28 -4.40 120.40 122.62 2p3a s VAL 75 Ca 0.50 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 2p3a s VAL 75 Cb -0.25 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 2p3a s VAL 75 CO 0.31 0.40 0.20 -0.76 0.00 0.00 0.00 175.10 175.24 2p3a s LEU 76 N 0.45 4.34 -0.11 3.92 1.43 0.87 -0.63 118.68 128.96 2p3a s LEU 76 Ca -0.13 0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 2p3a s LEU 76 Cb -0.15 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.88 2p3a s LEU 76 CO 0.04 0.30 -0.21 -0.69 0.23 0.00 0.00 176.35 176.02 2p3a s VAL 77 N -0.49 1.90 -0.00 -1.59 1.01 0.38 0.32 120.40 121.93 2p3a s VAL 77 Ca 0.15 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2p3a s VAL 77 Cb -0.13 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.59 2p3a s VAL 77 CO 0.04 0.52 0.08 0.61 0.00 0.00 0.00 175.10 176.35 2p3a n GLY 78 N 3.79 0.61 2.32 4.51 0.00 -0.69 -0.18 105.19 115.54 2p3a n GLY 78 Ca -0.20 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 2p3a n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2p3a n PRO 79 N -0.06 2.88 -3.32 1.61 -0.04 -1.26 -3.35 135.00 131.47 2p3a n PRO 79 Ca 0.00 -1.72 -0.33 0.00 -0.04 0.00 0.00 63.50 61.41 2p3a n PRO 79 Cb 0.04 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 30.92 2p3a n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2p3a s THR 80 N 2.22 4.84 -1.86 0.52 -1.32 -1.26 -4.97 115.64 113.79 2p3a s THR 80 Ca 0.61 0.70 0.30 0.00 -1.21 0.00 0.00 61.69 62.09 2p3a s THR 80 Cb 0.19 -3.65 0.63 0.00 -1.51 0.00 0.00 72.50 68.16 2p3a s THR 80 CO -0.04 -0.01 1.99 -0.81 -2.21 0.00 0.00 174.62 173.54 2p3a n PRO 81 N 0.06 0.90 -3.69 7.08 -0.04 -1.26 -4.60 135.00 133.45 2p3a n PRO 81 Ca -0.00 -0.23 -0.14 0.00 -0.04 0.00 0.00 63.50 63.09 2p3a n PRO 81 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 2p3a n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2p3a s ALA 82 N -2.26 -1.18 0.04 0.55 0.00 -1.26 -5.09 121.76 112.56 2p3a s ALA 82 Ca 0.37 1.06 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 2p3a s ALA 82 Cb 0.21 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 2p3a s ALA 82 CO 0.42 -0.26 1.21 -0.80 0.00 0.00 0.00 175.76 176.32 2p3a s ASN 83 N -0.46 7.07 -0.11 0.00 0.01 -1.26 -4.55 114.94 115.63 2p3a s ASN 83 Ca -0.06 1.99 0.01 0.00 -0.71 0.00 0.00 52.86 54.09 2p3a s ASN 83 Cb -0.03 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.07 2p3a s ASN 83 CO 0.03 -0.49 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.36 2p3a s ILE 84 N 1.27 1.41 -0.34 0.60 1.01 0.19 0.06 121.20 125.39 2p3a s ILE 84 Ca 0.59 -0.57 -0.16 0.00 0.00 0.00 0.00 60.65 60.50 2p3a s ILE 84 Cb -0.29 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 2p3a s ILE 84 CO 0.28 0.43 0.43 -0.63 0.00 0.00 0.00 174.94 175.44 2p3a s ILE 85 N 1.18 5.10 0.48 2.92 -1.09 0.13 -0.62 121.20 129.31 2p3a s ILE 85 Ca -0.03 0.20 0.03 0.00 -2.23 0.00 0.00 60.65 58.62 2p3a s ILE 85 Cb -0.14 -3.88 0.09 0.00 -1.58 0.00 0.00 42.46 36.95 2p3a s ILE 85 CO -0.04 -0.13 0.66 0.61 -1.23 0.00 0.00 174.94 174.81 2p3a n GLY 86 N 4.87 1.31 0.27 6.18 0.00 -1.15 -0.80 105.19 115.86 2p3a n GLY 86 Ca -0.07 -2.11 0.12 0.00 0.00 0.00 0.00 46.02 43.97 2p3a n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2p3a h ARG 87 N 0.00 0.00 -0.34 1.61 3.08 -0.44 -0.90 114.38 117.39 2p3a h ARG 87 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2p3a h ARG 87 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 2p3a h ARG 87 CO 0.27 0.10 0.23 -2.95 -1.07 0.00 0.00 179.97 176.54 2p3a h ASN 88 N 0.00 0.39 0.12 7.04 -1.07 -1.59 -1.28 115.58 119.19 2p3a h ASN 88 Ca -0.00 -0.01 -0.36 0.00 0.07 0.00 0.00 56.30 56.00 2p3a h ASN 88 Cb 0.25 -0.10 -0.06 0.00 -2.07 0.00 0.00 38.32 36.34 2p3a h ASN 88 CO 0.01 0.28 -2.22 0.18 0.07 0.00 0.00 177.43 175.75 2p3a n LEU 89 N -4.49 1.04 0.12 6.14 4.77 -0.82 -4.29 117.00 119.47 2p3a n LEU 89 Ca 0.02 0.08 0.02 0.00 -0.03 0.00 0.00 56.01 56.10 2p3a n LEU 89 Cb 0.07 -0.01 0.36 0.00 -2.33 0.00 0.00 43.42 41.51 2p3a n LEU 89 CO 0.35 0.60 0.84 0.24 -1.33 0.00 0.00 177.39 178.09 2p3a h MET 90 N 0.01 0.23 -0.87 3.23 2.86 -0.83 -1.66 114.93 117.90 2p3a h MET 90 Ca -0.49 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.12 2p3a h MET 90 Cb 2.11 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 33.69 2p3a h MET 90 CO 0.02 0.42 0.56 1.79 1.06 0.00 0.00 176.91 180.76 2p3a h THR 91 N 0.21 1.14 -0.01 2.22 1.35 -1.45 0.57 112.91 116.95 2p3a h THR 91 Ca 0.04 -0.37 -0.06 0.00 -0.55 0.00 0.00 66.41 65.46 2p3a h THR 91 Cb 0.46 -0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.83 2p3a h THR 91 CO 0.03 0.20 -0.30 1.56 -0.25 0.00 0.00 175.52 176.76 2p3a h GLN 92 N 1.09 0.02 -0.06 4.72 7.50 -1.49 -1.40 115.11 125.48 2p3a h GLN 92 Ca 0.34 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.49 2p3a h GLN 92 Cb -0.00 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 2p3a h GLN 92 CO -0.11 0.32 0.00 0.44 -1.50 0.00 0.00 178.83 177.97 2p3a n ILE 93 N -4.18 0.06 -1.90 2.54 -5.35 -0.93 -4.91 119.36 104.68 2p3a n ILE 93 Ca -0.02 -0.34 -0.00 0.00 -0.27 0.00 0.00 62.75 62.12 2p3a n ILE 93 Cb 0.35 0.70 -0.00 0.00 -1.74 0.00 0.00 39.64 38.95 2p3a n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p3a n GLY 94 N 1.22 0.37 3.75 3.28 0.00 -0.53 -5.00 105.19 108.29 2p3a n GLY 94 Ca 0.18 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 2p3a n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p3a s THR 96 N -0.36 0.93 0.05 0.00 -4.23 -1.26 -4.74 115.64 106.03 2p3a s THR 96 Ca 0.56 -1.52 -0.17 0.00 -1.18 0.00 0.00 61.69 59.38 2p3a s THR 96 Cb -0.41 -1.23 -0.06 0.00 1.34 0.00 0.00 72.50 72.14 2p3a s THR 96 CO 0.47 -0.48 0.51 -0.76 -0.54 0.00 0.00 174.62 173.81 2p3a s LEU 97 N -2.23 4.49 -0.03 4.79 1.43 -1.26 -5.07 118.68 120.80 2p3a s LEU 97 Ca 0.02 1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 54.25 2p3a s LEU 97 Cb -0.05 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.37 2p3a s LEU 97 CO 0.00 0.28 0.07 0.20 0.23 0.00 0.00 176.35 177.14 2p3a s ASN 98 N -1.16 -0.04 0.00 2.29 -0.87 -1.26 -5.28 114.94 108.62 2p3a s ASN 98 Ca 0.28 0.14 0.00 0.00 -1.57 0.00 0.00 52.86 51.71 2p3a s ASN 98 Cb -0.18 0.09 0.00 0.00 -0.02 0.00 0.00 41.25 41.14 2p3a s ASN 98 CO 0.17 -0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.84