#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sob n THR 2 N 0.00 0.18 -3.39 0.00 -2.24 -1.26 -5.07 114.28 102.50 2sob n THR 2 Ca 0.00 0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.64 2sob n THR 2 Cb 0.00 -1.16 0.06 0.00 -2.10 0.00 0.00 70.33 67.13 2sob n THR 2 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2sob n SER 3 N -2.97 -6.10 -2.24 3.42 7.64 -1.26 -4.94 113.62 107.17 2sob n SER 3 Ca 0.00 -0.80 -0.21 0.00 1.01 0.00 0.00 58.87 58.87 2sob n SER 3 Cb 0.25 -4.66 0.02 0.00 -1.01 0.00 0.00 64.21 58.81 2sob n SER 3 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2sob n THR 4 N -3.54 2.29 -3.89 0.44 -1.04 -1.26 -4.92 114.28 102.36 2sob n THR 4 Ca -0.08 -4.18 -0.28 0.00 -2.04 0.00 0.00 64.05 57.46 2sob n THR 4 Cb 0.61 -0.81 -0.12 0.00 -1.82 0.00 0.00 70.33 68.19 2sob n THR 4 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2sob s LYS 5 N -3.59 2.50 0.25 -2.82 3.01 -1.26 -4.77 119.74 113.06 2sob s LYS 5 Ca 0.47 -3.34 0.00 0.00 -1.01 0.00 0.00 55.97 52.09 2sob s LYS 5 Cb 0.40 -3.45 0.00 0.00 -1.01 0.00 0.00 37.83 33.77 2sob s LYS 5 CO -0.02 -1.28 0.00 1.63 0.51 0.00 0.00 175.35 176.19 2sob n LYS 6 N 2.00 0.00 -3.59 1.68 4.76 -1.26 -3.57 118.16 118.18 2sob n LYS 6 Ca 0.20 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.41 2sob n LYS 6 Cb 0.35 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.38 2sob n LYS 6 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2sob s LEU 7 N -6.23 0.17 -0.06 -0.35 1.43 -1.26 -1.69 118.68 110.68 2sob s LEU 7 Ca 0.00 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2sob s LEU 7 Cb 0.00 -0.02 0.04 0.00 0.03 0.00 0.00 46.19 46.24 2sob s LEU 7 CO 0.00 -0.33 0.13 -2.28 0.23 0.00 0.00 176.35 174.10 2sob s HIS 8 N 2.21 -0.12 0.42 0.29 2.46 -1.26 -4.93 115.29 114.35 2sob s HIS 8 Ca 0.04 0.47 -0.26 0.00 0.47 0.00 0.00 55.06 55.78 2sob s HIS 8 Cb -0.15 -0.20 -0.08 0.00 -0.13 0.00 0.00 32.58 32.01 2sob s HIS 8 CO -0.09 -0.20 1.34 -1.59 -2.47 0.00 0.00 174.74 171.73 2sob s LYS 9 N 1.67 3.85 -0.30 2.88 -2.85 -1.26 -3.78 119.74 119.95 2sob s LYS 9 Ca -0.03 2.23 -0.07 0.00 -1.00 0.00 0.00 55.97 57.10 2sob s LYS 9 Cb -0.12 -2.70 0.15 0.00 -2.06 0.00 0.00 37.83 33.10 2sob s LYS 9 CO -0.05 -0.61 0.65 -1.21 0.10 0.00 0.00 175.35 174.22 2sob s GLU 10 N -2.33 0.56 0.39 1.78 2.02 -1.22 -4.83 118.70 115.06 2sob s GLU 10 Ca 0.59 1.27 -0.26 0.00 0.02 0.00 0.00 54.97 56.59 2sob s GLU 10 Cb -0.40 0.75 -0.11 0.00 0.10 0.00 0.00 34.13 34.47 2sob s GLU 10 CO 0.51 -0.34 1.17 -2.30 0.02 0.00 0.00 175.26 174.31 2sob n PRO 11 N 5.43 1.73 0.00 0.39 -0.02 -1.13 0.23 135.00 141.63 2sob n PRO 11 Ca -0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2sob n PRO 11 Cb 0.50 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2sob n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2sob n ALA 12 N -0.12 0.00 -3.34 3.55 0.00 -1.25 -4.47 120.51 114.88 2sob n ALA 12 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 2sob n ALA 12 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 2sob n ALA 12 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2sob s THR 13 N 0.63 -0.56 -0.36 0.00 -1.32 -0.57 -4.60 115.64 108.86 2sob s THR 13 Ca 0.00 -0.35 -0.43 0.00 -1.21 0.00 0.00 61.69 59.70 2sob s THR 13 Cb 0.00 -0.98 -0.18 0.00 -1.51 0.00 0.00 72.50 69.83 2sob s THR 13 CO 0.00 -0.34 1.63 0.00 -2.21 0.00 0.00 174.62 173.71 2sob n LEU 14 N 5.34 1.68 -0.10 9.08 -0.00 -1.26 -3.87 117.00 127.87 2sob n LEU 14 Ca -0.00 1.14 -0.14 0.00 -0.00 0.00 0.00 56.01 57.00 2sob n LEU 14 Cb 0.48 -1.00 -0.05 0.00 -0.00 0.00 0.00 43.42 42.84 2sob n LEU 14 CO -0.01 -0.71 -0.73 -0.38 -0.00 0.00 0.00 177.39 175.56 2sob n ILE 15 N 4.11 1.49 -3.51 1.47 5.41 -0.30 -4.99 119.36 123.03 2sob n ILE 15 Ca 0.28 0.02 0.03 0.00 1.00 0.00 0.00 62.75 64.09 2sob n ILE 15 Cb 0.04 -2.21 -0.05 0.00 -0.71 0.00 0.00 39.64 36.70 2sob n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2sob s LYS 16 N -2.56 0.02 -0.53 0.38 2.36 -0.93 -5.01 119.74 113.46 2sob s LYS 16 Ca -0.27 0.03 -0.27 0.00 -2.55 0.00 0.00 55.97 52.91 2sob s LYS 16 Cb 0.06 0.01 -0.01 0.00 -1.05 0.00 0.00 37.83 36.84 2sob s LYS 16 CO 0.41 -0.00 1.72 0.00 1.55 0.00 0.00 175.35 179.02 2sob s ALA 17 N 1.31 2.52 0.01 3.13 0.00 -1.26 -1.56 121.76 125.90 2sob s ALA 17 Ca -0.05 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 2sob s ALA 17 Cb -0.02 -4.18 -0.06 0.00 0.00 0.00 0.00 23.12 18.86 2sob s ALA 17 CO -0.11 -3.33 0.99 0.82 0.00 0.00 0.00 175.76 174.13 2sob h ILE 18 N 6.72 0.00 -1.88 0.00 2.04 -1.91 -3.47 117.51 119.00 2sob h ILE 18 Ca -0.28 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 65.65 2sob h ILE 18 Cb 1.14 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2sob h ILE 18 CO 1.16 0.00 0.39 -0.67 0.00 0.00 0.00 178.15 179.03 2sob n ASP 19 N -3.31 -0.76 -4.74 1.72 2.03 -1.22 -5.04 116.55 105.22 2sob n ASP 19 Ca -0.05 -1.30 -0.42 0.00 0.52 0.00 0.00 54.79 53.54 2sob n ASP 19 Cb 0.16 1.22 -0.02 0.00 -0.72 0.00 0.00 41.12 41.76 2sob n ASP 19 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2sob s GLY 20 N -2.99 1.91 0.00 0.27 0.00 -1.26 -1.54 107.32 103.71 2sob s GLY 20 Ca 0.14 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.41 2sob s GLY 20 CO 0.01 2.60 0.00 1.22 0.00 0.00 0.00 173.10 176.94 2sob n ASP 21 N 2.66 0.00 -4.47 1.64 8.00 -1.23 -4.90 116.55 118.26 2sob n ASP 21 Ca 0.10 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.33 2sob n ASP 21 Cb 0.37 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.36 2sob n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2sob s THR 22 N -1.74 2.60 -0.27 -3.53 -4.23 -0.59 -4.10 115.64 103.78 2sob s THR 22 Ca 0.00 -1.94 -0.09 0.00 -1.18 0.00 0.00 61.69 58.48 2sob s THR 22 Cb 0.00 -2.26 0.12 0.00 1.34 0.00 0.00 72.50 71.70 2sob s THR 22 CO 0.00 -0.13 0.59 0.68 -0.54 0.00 0.00 174.62 175.22 2sob s VAL 23 N -1.72 -0.91 -0.38 2.29 -7.23 -1.21 -3.45 120.40 107.79 2sob s VAL 23 Ca 0.22 0.04 -0.29 0.00 -1.81 0.00 0.00 61.98 60.14 2sob s VAL 23 Cb -0.08 -0.92 0.02 0.00 0.56 0.00 0.00 36.38 35.97 2sob s VAL 23 CO 0.12 0.02 1.10 -0.75 -0.31 0.00 0.00 175.10 175.27 2sob s LYS 24 N 2.83 3.93 -0.03 4.82 2.20 -0.60 -1.69 119.74 131.19 2sob s LYS 24 Ca -0.04 0.87 -0.28 0.00 -0.36 0.00 0.00 55.97 56.16 2sob s LYS 24 Cb -0.12 -3.81 0.06 0.00 -1.51 0.00 0.00 37.83 32.45 2sob s LYS 24 CO -0.18 -1.10 0.61 -1.17 -0.36 0.00 0.00 175.35 173.16 2sob s LEU 25 N 3.98 -0.41 0.03 5.43 0.20 -0.20 -1.15 118.68 126.56 2sob s LEU 25 Ca 0.46 0.56 0.01 0.00 0.69 0.00 0.00 54.13 55.86 2sob s LEU 25 Cb -0.10 2.34 -0.02 0.00 -0.43 0.00 0.00 46.19 47.98 2sob s LEU 25 CO 0.22 -0.61 -0.06 0.00 -0.29 0.00 0.00 176.35 175.61 2sob s MET 26 N -1.42 0.42 -0.31 1.98 0.23 -1.25 -1.73 119.30 117.21 2sob s MET 26 Ca -0.10 -0.64 -0.04 0.00 -1.03 0.00 0.00 55.69 53.88 2sob s MET 26 Cb -0.01 -0.14 0.01 0.00 -1.53 0.00 0.00 34.83 33.17 2sob s MET 26 CO 0.07 0.01 2.80 2.48 -2.03 0.00 0.00 175.02 178.36 2sob n TYR 27 N 1.66 1.17 -3.44 3.16 0.18 -1.26 -1.51 117.16 117.13 2sob n TYR 27 Ca -0.22 -1.81 -0.21 0.00 1.88 0.00 0.00 57.90 57.53 2sob n TYR 27 Cb 0.55 -1.32 0.05 0.00 -0.38 0.00 0.00 39.34 38.24 2sob n TYR 27 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2sob n LYS 28 N 1.16 -1.67 0.00 -3.48 4.01 -1.26 -4.80 118.16 112.13 2sob n LYS 28 Ca 0.42 0.74 0.00 0.00 -0.51 0.00 0.00 58.31 58.96 2sob n LYS 28 Cb 0.63 -4.94 0.00 0.00 -0.51 0.00 0.00 35.03 30.21 2sob n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2sob n GLY 29 N -1.50 0.11 3.62 0.72 0.00 -1.26 -5.13 105.19 101.76 2sob n GLY 29 Ca -0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 2sob n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2sob s GLN 30 N -0.88 0.59 -0.16 1.61 -2.07 -1.26 -5.11 119.66 112.37 2sob s GLN 30 Ca 0.00 1.21 -0.30 0.00 -1.82 0.00 0.00 55.36 54.45 2sob s GLN 30 Cb 0.00 0.42 -0.07 0.00 -1.09 0.00 0.00 33.01 32.27 2sob s GLN 30 CO 0.00 -0.16 2.14 -2.30 -1.32 0.00 0.00 175.29 173.66 2sob n PRO 31 N 4.71 2.12 -3.72 9.60 -0.02 -1.26 -4.38 135.00 142.05 2sob n PRO 31 Ca -0.16 0.65 -0.20 0.00 -2.02 0.00 0.00 63.50 61.77 2sob n PRO 31 Cb 0.55 -3.08 -0.05 0.00 -0.02 0.00 0.00 33.50 30.90 2sob n PRO 31 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2sob n MET 32 N 8.29 1.05 -3.82 -0.52 2.81 -0.70 -4.96 117.12 119.27 2sob n MET 32 Ca 0.28 -2.40 -0.15 0.00 -1.81 0.00 0.00 57.70 53.62 2sob n MET 32 Cb 0.41 0.82 -0.16 0.00 -0.71 0.00 0.00 33.22 33.58 2sob n MET 32 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2sob s THR 33 N -2.31 0.00 -0.12 2.03 2.01 -1.26 -1.03 115.64 114.97 2sob s THR 33 Ca 0.04 0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.14 2sob s THR 33 Cb 0.00 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 2sob s THR 33 CO 0.03 0.09 0.09 -0.36 -0.69 0.00 0.00 174.62 173.77 2sob s PHE 34 N 0.89 3.42 -0.13 4.92 0.40 -0.68 -3.36 117.98 123.43 2sob s PHE 34 Ca -0.08 0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 56.56 2sob s PHE 34 Cb -0.11 -1.90 0.05 0.00 0.51 0.00 0.00 43.02 41.57 2sob s PHE 34 CO -0.02 0.59 0.31 0.50 0.70 0.00 0.00 175.22 177.29 2sob s ARG 35 N -0.83 0.27 0.00 0.44 3.52 -1.24 -3.32 118.95 117.79 2sob s ARG 35 Ca 0.13 0.62 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 2sob s ARG 35 Cb -0.12 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.19 2sob s ARG 35 CO 0.03 -0.16 0.00 1.47 -0.81 0.00 0.00 175.30 175.83 2sob n LEU 36 N 4.23 0.00 0.15 -0.88 -0.00 -1.26 -4.08 117.00 115.16 2sob n LEU 36 Ca -0.25 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 55.80 2sob n LEU 36 Cb 0.54 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 44.04 2sob n LEU 36 CO 0.12 0.00 0.52 -0.07 -0.00 0.00 0.00 177.39 177.96 2sob h LEU 37 N 0.00 0.00 -1.64 1.47 -0.00 -1.97 -3.00 115.31 110.17 2sob h LEU 37 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2sob h LEU 37 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 2sob h LEU 37 CO 0.00 0.47 0.17 -0.07 -0.00 0.00 0.00 178.44 179.01 2sob h LEU 38 N 0.00 0.36 -8.55 1.67 4.07 -1.92 -3.38 115.31 107.56 2sob h LEU 38 Ca -0.00 -0.02 -0.55 0.00 0.08 0.00 0.00 57.88 57.38 2sob h LEU 38 Cb 1.29 -0.09 -0.08 0.00 1.08 0.00 0.00 40.66 42.87 2sob h LEU 38 CO 0.06 0.29 0.97 0.54 -1.08 0.00 0.00 178.44 179.22 2sob s VAL 39 N -5.32 4.00 0.11 1.22 0.11 -1.13 -3.50 120.40 115.89 2sob s VAL 39 Ca -0.07 0.81 0.01 0.00 -2.93 0.00 0.00 61.98 59.81 2sob s VAL 39 Cb 0.17 -4.74 -0.23 0.00 -1.53 0.00 0.00 36.38 30.05 2sob s VAL 39 CO 0.72 -1.39 1.24 0.44 -3.33 0.00 0.00 175.10 172.77 2sob h ASP 40 N 9.59 0.22 -3.58 3.54 3.32 -1.86 -3.45 116.42 124.20 2sob h ASP 40 Ca -0.25 -0.23 -0.52 0.00 0.02 0.00 0.00 57.03 56.06 2sob h ASP 40 Cb 1.06 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 2sob h ASP 40 CO 1.19 1.15 0.37 -0.89 -1.72 0.00 0.00 179.24 179.34 2sob s THR 41 N -2.76 4.44 1.09 0.35 2.01 -1.26 -5.03 115.64 114.49 2sob s THR 41 Ca -0.02 2.05 -0.12 0.00 0.31 0.00 0.00 61.69 63.91 2sob s THR 41 Cb 0.09 -4.31 0.25 0.00 0.01 0.00 0.00 72.50 68.53 2sob s THR 41 CO 0.85 0.32 1.06 -2.16 -0.69 0.00 0.00 174.62 174.00 2sob s PRO 42 N -0.08 -0.39 -0.39 4.92 0.04 -1.26 -4.91 135.00 132.93 2sob s PRO 42 Ca 0.47 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.57 2sob s PRO 42 Cb -0.24 -1.60 0.38 0.00 0.04 0.00 0.00 34.50 33.08 2sob s PRO 42 CO 0.30 -3.43 1.85 0.39 0.04 0.00 0.00 177.00 176.15 2sob n GLU 43 N -4.74 2.02 -4.17 4.56 -0.58 -1.26 -4.90 120.64 111.57 2sob n GLU 43 Ca 0.06 -2.18 -0.16 0.00 -0.42 0.00 0.00 57.16 54.46 2sob n GLU 43 Cb 0.54 -1.85 -0.06 0.00 -0.57 0.00 0.00 31.44 29.49 2sob n GLU 43 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2sob s THR 44 N -2.84 0.00 -0.44 2.62 -4.23 -1.26 -5.11 115.64 104.38 2sob s THR 44 Ca 0.42 -1.79 -0.29 0.00 -1.18 0.00 0.00 61.69 58.85 2sob s THR 44 Cb 0.34 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.66 2sob s THR 44 CO 0.03 0.00 1.13 -0.54 -0.54 0.00 0.00 174.62 174.70 2sob s LYS 45 N -3.37 3.81 0.05 3.99 -0.14 -1.26 -5.01 119.74 117.80 2sob s LYS 45 Ca 0.35 0.70 0.08 0.00 -1.36 0.00 0.00 55.97 55.74 2sob s LYS 45 Cb 0.02 -3.87 -0.03 0.00 -1.68 0.00 0.00 37.83 32.27 2sob s LYS 45 CO 0.22 -1.27 -0.23 -3.38 -0.76 0.00 0.00 175.35 169.93 2sob s HIS 46 N 4.28 1.97 0.55 3.18 -3.43 -1.26 -5.12 115.29 115.46 2sob s HIS 46 Ca 0.48 -0.39 -0.21 0.00 -0.80 0.00 0.00 55.06 54.14 2sob s HIS 46 Cb -0.09 -1.17 -0.05 0.00 -1.43 0.00 0.00 32.58 29.85 2sob s HIS 46 CO 0.28 0.11 1.26 -1.25 -2.00 0.00 0.00 174.74 173.14 2sob s PRO 47 N -1.26 3.18 0.02 -0.38 0.04 -1.26 -5.05 135.00 130.29 2sob s PRO 47 Ca 0.09 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.09 2sob s PRO 47 Cb -0.09 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 2sob s PRO 47 CO 0.02 -1.08 -0.01 -1.59 0.04 0.00 0.00 177.00 174.38 2sob s LYS 48 N -3.05 0.37 -0.74 4.56 -2.85 -1.26 -5.06 119.74 111.72 2sob s LYS 48 Ca 0.73 -0.68 -0.01 0.00 -1.00 0.00 0.00 55.97 55.00 2sob s LYS 48 Cb -0.34 0.14 0.38 0.00 -2.06 0.00 0.00 37.83 35.95 2sob s LYS 48 CO 0.39 -0.07 1.89 1.63 0.10 0.00 0.00 175.35 179.29 2sob n LYS 49 N 1.35 2.85 -1.02 1.78 5.02 -1.26 -4.94 118.16 121.95 2sob n LYS 49 Ca -0.22 -3.61 0.00 0.00 -2.02 0.00 0.00 58.31 52.45 2sob n LYS 49 Cb 0.56 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 2sob n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2sob n GLY 50 N -0.62 -2.72 3.09 0.72 0.00 -1.26 -5.04 105.19 99.36 2sob n GLY 50 Ca 0.54 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2sob n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2sob s VAL 51 N 0.00 2.06 -0.32 1.61 1.01 -1.26 -4.99 120.40 118.51 2sob s VAL 51 Ca 0.00 -1.23 0.07 0.00 0.00 0.00 0.00 61.98 60.82 2sob s VAL 51 Cb 0.00 -2.01 0.46 0.00 0.00 0.00 0.00 36.38 34.83 2sob s VAL 51 CO 0.00 0.27 1.33 1.21 0.00 0.00 0.00 175.10 177.91 2sob n GLU 52 N 4.55 2.85 -4.10 2.72 2.13 -1.26 -5.02 120.64 122.51 2sob n GLU 52 Ca -0.17 -3.76 -0.10 0.00 0.66 0.00 0.00 57.16 53.79 2sob n GLU 52 Cb 0.46 -2.08 -0.09 0.00 0.27 0.00 0.00 31.44 30.00 2sob n GLU 52 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2sob s LYS 53 N -3.50 1.00 -0.10 5.31 1.02 -1.26 -5.09 119.74 117.12 2sob s LYS 53 Ca 0.49 -1.37 -0.02 0.00 0.02 0.00 0.00 55.97 55.09 2sob s LYS 53 Cb 0.41 0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 37.99 2sob s LYS 53 CO 0.01 -0.31 0.05 1.88 -0.92 0.00 0.00 175.35 176.06 2sob h TYR 54 N 2.77 -0.01 0.00 3.18 0.05 -2.00 -3.48 116.97 117.48 2sob h TYR 54 Ca -0.34 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.44 2sob h TYR 54 Cb 1.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 2sob h TYR 54 CO 0.42 0.05 0.00 0.41 -1.05 0.00 0.00 178.16 177.99 2sob n GLY 55 N 1.75 -1.85 0.27 3.88 0.00 -1.26 -4.36 105.19 103.62 2sob n GLY 55 Ca -0.01 0.82 0.02 0.00 0.00 0.00 0.00 46.02 46.85 2sob n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2sob h PRO 56 N 0.00 0.45 -0.48 1.61 0.13 -1.93 0.41 132.00 132.19 2sob h PRO 56 Ca 0.00 -0.07 0.04 0.00 -0.87 0.00 0.00 66.00 65.10 2sob h PRO 56 Cb 0.00 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 30.99 2sob h PRO 56 CO 0.00 0.44 -0.31 1.05 -0.23 0.00 0.00 178.00 178.95 2sob h GLU 57 N 0.44 -0.03 0.00 0.86 9.09 -2.02 -3.39 114.58 119.53 2sob h GLU 57 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.51 2sob h GLU 57 Cb 0.22 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 2sob h GLU 57 CO 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 179.01 179.04 2sob n ALA 58 N -3.10 0.00 0.02 1.06 0.00 -1.23 -4.90 120.51 112.36 2sob n ALA 58 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 2sob n ALA 58 Cb 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.45 2sob n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2sob h SER 59 N 0.00 0.38 -0.51 0.00 0.87 -0.69 -3.22 113.55 110.37 2sob h SER 59 Ca 0.00 -0.91 0.15 0.00 -1.23 0.00 0.00 61.79 59.80 2sob h SER 59 Cb 0.44 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2sob h SER 59 CO 0.00 1.44 0.41 0.00 -0.53 0.00 0.00 176.83 178.15 2sob h ALA 60 N 0.01 2.38 0.01 6.23 0.00 -0.58 1.29 119.26 128.60 2sob h ALA 60 Ca -0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2sob h ALA 60 Cb 1.61 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 2sob h ALA 60 CO 0.09 -0.68 -0.26 0.74 0.00 0.00 0.00 179.25 179.15 2sob h PHE 61 N 0.00 0.05 0.00 0.00 0.04 -1.84 -3.36 116.94 111.83 2sob h PHE 61 Ca 0.24 -0.04 -0.12 0.00 2.80 0.00 0.00 57.97 60.86 2sob h PHE 61 Cb 1.07 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 2sob h PHE 61 CO 0.00 1.10 -0.58 1.15 -0.60 0.00 0.00 178.31 179.38 2sob h THR 62 N -0.94 0.92 -0.61 -1.55 2.02 -1.46 -3.20 112.91 108.09 2sob h THR 62 Ca -0.06 -2.31 0.17 0.00 0.77 0.00 0.00 66.41 64.98 2sob h THR 62 Cb 1.11 2.44 -0.03 0.00 -1.74 0.00 0.00 68.15 69.93 2sob h THR 62 CO -0.02 0.52 0.44 0.50 0.37 0.00 0.00 175.52 177.33 2sob h LYS 63 N 0.00 0.02 0.00 6.66 3.64 0.15 -3.37 116.57 123.67 2sob h LYS 63 Ca -0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2sob h LYS 63 Cb 1.42 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2sob h LYS 63 CO 0.07 0.01 0.00 1.63 -2.27 0.00 0.00 179.45 178.89 2sob n LYS 64 N -4.36 2.36 -2.26 1.90 4.01 -1.21 -4.36 118.16 114.23 2sob n LYS 64 Ca 0.12 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.83 2sob n LYS 64 Cb 0.67 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 35.18 2sob n LYS 64 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2sob n MET 65 N 0.00 -2.23 0.00 1.97 2.81 -1.26 -4.08 117.12 114.33 2sob n MET 65 Ca 0.00 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 2sob n MET 65 Cb 0.00 -4.95 0.00 0.00 -0.71 0.00 0.00 33.22 27.56 2sob n MET 65 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2sob n LEU 66 N -2.53 0.00 -0.37 4.03 4.32 -1.26 -4.04 117.00 117.14 2sob n LEU 66 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 2sob n LEU 66 Cb 0.53 0.06 0.01 0.00 -1.62 0.00 0.00 43.42 42.40 2sob n LEU 66 CO 0.13 -0.06 0.34 -0.62 -1.22 0.00 0.00 177.39 175.95 2sob n GLU 67 N -1.32 1.07 0.00 3.23 -0.58 -1.26 -4.19 120.64 117.59 2sob n GLU 67 Ca 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2sob n GLU 67 Cb 0.00 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 2sob n GLU 67 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2sob n ASN 68 N -0.14 0.00 -3.48 1.62 0.23 -1.26 -5.08 115.26 107.15 2sob n ASN 68 Ca 0.01 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.83 2sob n ASN 68 Cb 0.19 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.05 2sob n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2sob n ALA 69 N -1.25 -1.17 0.00 -2.53 0.00 -1.26 -5.04 120.51 109.27 2sob n ALA 69 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.10 2sob n ALA 69 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.39 2sob n ALA 69 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2sob n LYS 70 N -3.17 0.00 -2.74 0.00 5.02 -1.26 -4.81 118.16 111.19 2sob n LYS 70 Ca 0.13 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.04 2sob n LYS 70 Cb 0.45 -0.35 -0.06 0.00 -0.02 0.00 0.00 35.03 35.05 2sob n LYS 70 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2sob s LYS 71 N -1.44 4.68 0.21 1.97 3.01 -1.26 -4.60 119.74 122.31 2sob s LYS 71 Ca 0.00 1.42 -0.06 0.00 -1.01 0.00 0.00 55.97 56.33 2sob s LYS 71 Cb 0.00 -3.00 -0.03 0.00 -1.01 0.00 0.00 37.83 33.80 2sob s LYS 71 CO 0.00 0.36 0.26 0.42 0.51 0.00 0.00 175.35 176.89 2sob s ILE 72 N -1.42 0.01 -0.42 2.17 1.01 -1.26 0.31 121.20 121.59 2sob s ILE 72 Ca 0.47 -1.75 0.07 0.00 0.00 0.00 0.00 60.65 59.44 2sob s ILE 72 Cb -0.22 -2.33 0.23 0.00 0.01 0.00 0.00 42.46 40.15 2sob s ILE 72 CO 0.28 -0.04 0.58 -0.62 0.00 0.00 0.00 174.94 175.13 2sob n GLU 73 N -0.30 0.64 -1.52 2.79 4.71 0.13 -2.85 120.64 124.23 2sob n GLU 73 Ca -0.00 -2.87 -0.42 0.00 -0.01 0.00 0.00 57.16 53.86 2sob n GLU 73 Cb 0.64 -1.34 -0.06 0.00 -1.01 0.00 0.00 31.44 29.68 2sob n GLU 73 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2sob n VAL 74 N 1.72 0.09 -2.93 2.62 0.31 0.14 -4.06 118.33 116.21 2sob n VAL 74 Ca 0.20 -0.48 -0.44 0.00 -0.01 0.00 0.00 64.34 63.61 2sob n VAL 74 Cb 0.54 -2.14 -0.03 0.00 -0.91 0.00 0.00 33.84 31.30 2sob n VAL 74 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2sob s GLU 75 N 7.44 3.47 -0.06 5.55 2.56 -1.18 -3.42 118.70 133.04 2sob s GLU 75 Ca 1.07 -1.57 0.02 0.00 0.00 0.00 0.00 54.97 54.48 2sob s GLU 75 Cb -0.53 -4.73 0.02 0.00 2.00 0.00 0.00 34.13 30.88 2sob s GLU 75 CO 0.37 -1.76 -0.09 -0.59 -0.56 0.00 0.00 175.26 172.64 2sob s PHE 76 N 2.89 1.19 0.00 5.30 -0.71 -1.25 -3.73 117.98 121.68 2sob s PHE 76 Ca 0.29 -0.43 0.00 0.00 -1.04 0.00 0.00 56.93 55.75 2sob s PHE 76 Cb -0.08 -0.93 0.00 0.00 -1.21 0.00 0.00 43.02 40.79 2sob s PHE 76 CO -0.05 -0.27 0.00 -0.40 -1.34 0.00 0.00 175.22 173.17 2sob n ASP 77 N 4.01 -0.48 -4.49 1.98 5.75 -0.68 -4.46 116.55 118.18 2sob n ASP 77 Ca -0.22 -0.05 -0.41 0.00 -0.01 0.00 0.00 54.79 54.09 2sob n ASP 77 Cb 0.51 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.62 2sob n ASP 77 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2sob n LYS 78 N -0.53 0.73 -1.49 0.11 4.81 -1.23 -4.58 118.16 115.97 2sob n LYS 78 Ca 0.00 0.27 -0.42 0.00 -0.87 0.00 0.00 58.31 57.29 2sob n LYS 78 Cb 0.00 -1.66 -0.12 0.00 0.02 0.00 0.00 35.03 33.26 2sob n LYS 78 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2sob n GLY 79 N 1.64 -0.32 0.15 3.14 0.00 -1.26 -4.76 105.19 103.78 2sob n GLY 79 Ca 0.11 1.06 -0.23 0.00 0.00 0.00 0.00 46.02 46.97 2sob n GLY 79 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2sob h GLN 80 N 13.16 0.51 -5.82 1.61 -0.00 -1.90 -3.47 115.11 119.20 2sob h GLN 80 Ca -0.09 -0.79 -0.20 0.00 -0.00 0.00 0.00 58.65 57.57 2sob h GLN 80 Cb 1.31 0.28 -0.06 0.00 -0.00 0.00 0.00 27.48 29.01 2sob h GLN 80 CO 1.32 1.37 -0.31 2.89 -0.00 0.00 0.00 178.83 184.10 2sob n ARG 81 N -3.86 -0.96 -3.65 0.06 -4.01 -1.24 -4.85 116.66 98.15 2sob n ARG 81 Ca -0.15 -0.01 -0.07 0.00 -1.04 0.00 0.00 57.85 56.58 2sob n ARG 81 Cb 0.99 -1.05 -0.08 0.00 -3.04 0.00 0.00 32.46 29.29 2sob n ARG 81 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 2sob s THR 82 N -3.55 -0.07 0.00 8.89 2.01 -1.22 -4.22 115.64 117.49 2sob s THR 82 Ca 0.02 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2sob s THR 82 Cb -0.01 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.59 2sob s THR 82 CO 0.32 0.01 0.00 -0.67 -0.69 0.00 0.00 174.62 173.59 2sob n ASP 83 N 4.39 0.00 -4.28 3.53 2.03 -1.26 -4.54 116.55 116.41 2sob n ASP 83 Ca -0.20 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.67 2sob n ASP 83 Cb 0.58 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.95 2sob n ASP 83 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2sob s LYS 84 N 0.00 3.77 -0.49 -0.67 2.36 -1.26 -4.33 119.74 119.12 2sob s LYS 84 Ca 0.00 -2.96 0.00 0.00 -2.55 0.00 0.00 55.97 50.46 2sob s LYS 84 Cb 0.00 -4.37 0.00 0.00 -1.05 0.00 0.00 37.83 32.41 2sob s LYS 84 CO 0.00 -1.25 0.00 0.98 1.55 0.00 0.00 175.35 176.63 2sob n TYR 85 N 3.07 0.00 -1.91 4.03 4.19 -1.26 -3.08 117.16 122.19 2sob n TYR 85 Ca 0.19 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.37 2sob n TYR 85 Cb 0.41 -1.42 0.02 0.00 0.49 0.00 0.00 39.34 38.84 2sob n TYR 85 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2sob n GLY 86 N -1.35 0.36 3.94 2.98 0.00 -1.26 -4.83 105.19 105.03 2sob n GLY 86 Ca -0.05 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 2sob n GLY 86 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2sob s ARG 87 N -3.31 1.97 -1.17 1.61 3.52 -1.18 -3.81 118.95 116.58 2sob s ARG 87 Ca 0.10 -0.42 -0.19 0.00 -0.13 0.00 0.00 55.73 55.10 2sob s ARG 87 Cb -0.01 -2.17 0.09 0.00 -1.56 0.00 0.00 34.95 31.29 2sob s ARG 87 CO 0.18 -1.37 1.55 0.08 -0.81 0.00 0.00 175.30 174.92 2sob s VAL 88 N -3.28 4.30 -0.89 7.11 1.01 -1.21 -3.42 120.40 124.02 2sob s VAL 88 Ca 0.62 -1.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 2sob s VAL 88 Cb -0.09 -5.07 -0.04 0.00 0.00 0.00 0.00 36.38 31.17 2sob s VAL 88 CO 0.45 -1.88 1.94 -0.76 0.00 0.00 0.00 175.10 174.85 2sob s LEU 89 N 3.77 3.18 0.01 3.92 1.43 -1.26 -3.62 118.68 126.10 2sob s LEU 89 Ca 0.48 -0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 52.72 2sob s LEU 89 Cb 0.01 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.71 2sob s LEU 89 CO 0.00 -2.71 0.48 0.00 0.23 0.00 0.00 176.35 174.35 2sob s ALA 90 N 9.97 -1.21 0.74 4.21 0.00 -1.26 -4.86 121.76 129.34 2sob s ALA 90 Ca 0.70 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 2sob s ALA 90 Cb -0.07 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.29 2sob s ALA 90 CO 0.00 -0.40 1.10 0.71 0.00 0.00 0.00 175.76 177.17 2sob s TYR 91 N -1.86 3.16 -0.28 0.00 2.02 -1.24 -4.56 117.35 114.58 2sob s TYR 91 Ca -0.09 1.07 -0.04 0.00 -0.37 0.00 0.00 57.07 57.64 2sob s TYR 91 Cb -0.02 -3.10 0.10 0.00 -0.40 0.00 0.00 41.96 38.54 2sob s TYR 91 CO 0.03 -1.38 0.14 0.42 -1.57 0.00 0.00 175.55 173.18 2sob s ILE 92 N -3.31 -0.09 -0.26 2.71 -1.09 -1.26 -3.13 121.20 114.77 2sob s ILE 92 Ca 0.59 -0.68 -0.08 0.00 -2.23 0.00 0.00 60.65 58.24 2sob s ILE 92 Cb -0.12 -0.94 -0.03 0.00 -1.58 0.00 0.00 42.46 39.79 2sob s ILE 92 CO 0.52 -0.67 0.11 -0.31 -1.23 0.00 0.00 174.94 173.36 2sob s TYR 93 N 2.12 3.13 -0.19 3.97 2.02 -1.26 -4.88 117.35 122.25 2sob s TYR 93 Ca 0.08 -0.29 -0.29 0.00 -0.37 0.00 0.00 57.07 56.20 2sob s TYR 93 Cb -0.16 -2.28 0.00 0.00 -0.40 0.00 0.00 41.96 39.12 2sob s TYR 93 CO -0.34 -0.31 1.04 0.00 -1.57 0.00 0.00 175.55 174.36 2sob s ALA 94 N 1.65 3.61 -1.43 3.71 0.00 -1.26 -0.69 121.76 127.34 2sob s ALA 94 Ca 0.06 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 2sob s ALA 94 Cb -0.15 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.46 2sob s ALA 94 CO 0.06 -0.93 0.23 -3.47 0.00 0.00 0.00 175.76 171.66 2sob n ASP 95 N 5.95 -5.04 0.00 0.00 -0.08 0.15 -0.88 116.55 116.65 2sob n ASP 95 Ca 0.11 -0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2sob n ASP 95 Cb 0.47 -4.17 0.00 0.00 2.34 0.00 0.00 41.12 39.76 2sob n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2sob n GLY 96 N -1.11 3.08 5.63 0.27 0.00 -1.22 -4.96 105.19 106.88 2sob n GLY 96 Ca -0.15 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2sob n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2sob n LYS 97 N 0.00 0.00 0.00 1.61 3.00 -0.05 -4.41 118.16 118.31 2sob n LYS 97 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2sob n LYS 97 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2sob n LYS 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2sob n MET 98 N 0.00 0.00 -0.08 1.64 0.00 -1.26 -4.98 117.12 112.44 2sob n MET 98 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 57.70 57.95 2sob n MET 98 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 33.22 33.94 2sob n MET 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2sob h VAL 99 N 0.00 0.50 -0.78 3.17 2.07 -1.94 0.38 116.25 119.65 2sob h VAL 99 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2sob h VAL 99 Cb 0.00 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 2sob h VAL 99 CO 0.00 0.00 0.46 -0.55 0.02 0.00 0.00 177.57 177.50 2sob h ASN 100 N 0.00 0.71 0.79 0.57 -1.07 -1.94 -2.29 115.58 112.34 2sob h ASN 100 Ca 0.34 0.02 -0.25 0.00 0.07 0.00 0.00 56.30 56.48 2sob h ASN 100 Cb 1.48 -0.12 -0.01 0.00 -2.07 0.00 0.00 38.32 37.59 2sob h ASN 100 CO -0.00 0.46 -1.17 -0.08 0.07 0.00 0.00 177.43 176.70 2sob h GLU 101 N 0.85 0.13 -6.21 4.14 4.22 -1.29 -3.45 114.58 112.96 2sob h GLU 101 Ca 0.34 -0.22 -0.70 0.00 0.08 0.00 0.00 59.36 58.86 2sob h GLU 101 Cb 0.18 0.08 0.03 0.00 0.50 0.00 0.00 28.75 29.54 2sob h GLU 101 CO -0.18 1.08 0.79 0.00 -2.18 0.00 0.00 179.01 178.53 2sob n ALA 102 N -2.46 -0.22 1.71 2.92 0.00 -0.85 -5.18 120.51 116.43 2sob n ALA 102 Ca -0.05 0.41 0.15 0.00 0.00 0.00 0.00 53.44 53.95 2sob n ALA 102 Cb 0.99 -2.22 0.70 0.00 0.00 0.00 0.00 19.45 18.92 2sob n ALA 102 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78