#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sob s THR 2 N 0.00 -0.11 -0.52 0.00 -4.23 -1.26 -5.03 115.64 104.49 2sob s THR 2 Ca 0.00 0.35 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 2sob s THR 2 Cb 0.00 -0.15 0.34 0.00 1.34 0.00 0.00 72.50 74.04 2sob s THR 2 CO 0.00 0.15 2.04 -1.54 -0.54 0.00 0.00 174.62 174.73 2sob n SER 3 N 4.93 7.16 0.00 3.99 3.41 -1.26 -4.27 113.62 127.58 2sob n SER 3 Ca -0.11 -3.47 0.00 0.00 -0.26 0.00 0.00 58.87 55.03 2sob n SER 3 Cb 0.50 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 2sob n SER 3 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2sob n THR 4 N -0.34 0.00 -3.79 6.66 5.66 -1.25 -4.45 114.28 116.77 2sob n THR 4 Ca 0.48 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 61.19 2sob n THR 4 Cb 0.62 -0.11 -0.14 0.00 -1.55 0.00 0.00 70.33 69.15 2sob n THR 4 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2sob s LYS 5 N -1.49 1.19 0.18 1.09 1.02 -1.26 -4.81 119.74 115.66 2sob s LYS 5 Ca 0.00 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.26 2sob s LYS 5 Cb 0.00 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 2sob s LYS 5 CO 0.00 -1.06 0.00 1.17 -0.92 0.00 0.00 175.35 174.54 2sob n LYS 6 N 4.05 0.00 -3.08 1.68 3.00 -1.26 -4.79 118.16 117.76 2sob n LYS 6 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.26 2sob n LYS 6 Cb 0.38 -0.25 0.04 0.00 0.00 0.00 0.00 35.03 35.20 2sob n LYS 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2sob n LEU 7 N -3.42 -5.83 0.00 3.14 7.94 -0.41 -4.93 117.00 113.49 2sob n LEU 7 Ca 0.00 -0.45 0.00 0.00 -1.11 0.00 0.00 56.01 54.45 2sob n LEU 7 Cb 0.03 -3.10 0.00 0.00 0.53 0.00 0.00 43.42 40.87 2sob n LEU 7 CO 0.00 -0.32 0.00 1.57 -1.11 0.00 0.00 177.39 177.53 2sob n HIS 8 N -2.63 0.00 -3.65 1.96 -0.00 -0.68 -4.59 115.22 105.63 2sob n HIS 8 Ca -0.04 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.11 2sob n HIS 8 Cb 0.57 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.37 2sob n HIS 8 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 2sob s LYS 9 N 0.01 0.08 -0.30 1.57 -2.85 -1.20 -3.88 119.74 113.17 2sob s LYS 9 Ca 0.00 0.10 -0.11 0.00 -1.00 0.00 0.00 55.97 54.96 2sob s LYS 9 Cb 0.00 0.04 0.12 0.00 -2.06 0.00 0.00 37.83 35.93 2sob s LYS 9 CO 0.00 -0.01 0.66 -1.21 0.10 0.00 0.00 175.35 174.89 2sob s GLU 10 N 0.21 0.60 0.10 1.78 2.02 -1.09 -4.81 118.70 117.51 2sob s GLU 10 Ca 0.05 1.41 -0.36 0.00 0.02 0.00 0.00 54.97 56.09 2sob s GLU 10 Cb -0.05 0.75 -0.17 0.00 0.10 0.00 0.00 34.13 34.76 2sob s GLU 10 CO -0.14 -0.19 1.22 -2.30 0.02 0.00 0.00 175.26 173.87 2sob n PRO 11 N 5.25 0.96 0.00 0.39 -0.02 -0.98 -1.88 135.00 138.72 2sob n PRO 11 Ca -0.13 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2sob n PRO 11 Cb 0.51 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 1.97 0.00 -3.71 3.55 0.00 0.20 -4.85 120.51 117.68 2sob n ALA 12 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 2sob n ALA 12 Cb 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.51 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 1.43 -0.16 -0.17 0.00 -1.32 -1.25 -4.32 115.64 109.86 2sob s THR 13 Ca 0.00 0.21 -0.28 0.00 -1.21 0.00 0.00 61.69 60.41 2sob s THR 13 Cb 0.00 -0.35 -0.06 0.00 -1.51 0.00 0.00 72.50 70.58 2sob s THR 13 CO 0.00 0.09 2.13 -0.22 -2.21 0.00 0.00 174.62 174.41 2sob s LEU 14 N 1.65 3.67 -0.05 9.08 0.20 -1.26 -3.54 118.68 128.43 2sob s LEU 14 Ca -0.05 2.03 -0.05 0.00 0.69 0.00 0.00 54.13 56.74 2sob s LEU 14 Cb -0.11 -3.52 -0.02 0.00 -0.43 0.00 0.00 46.19 42.11 2sob s LEU 14 CO -0.08 -1.74 -0.11 -0.38 -0.29 0.00 0.00 176.35 173.76 2sob n ILE 15 N 7.23 0.55 -3.19 6.68 5.41 -1.20 -5.04 119.36 129.79 2sob n ILE 15 Ca 0.27 0.32 0.04 0.00 1.00 0.00 0.00 62.75 64.38 2sob n ILE 15 Cb 0.44 -1.70 -0.01 0.00 -0.71 0.00 0.00 39.64 37.66 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 -1.65 0.56 -0.57 0.38 2.20 -1.23 -5.06 119.74 114.37 2sob s LYS 16 Ca -0.09 1.04 -0.23 0.00 -0.36 0.00 0.00 55.97 56.33 2sob s LYS 16 Cb 0.01 0.58 0.05 0.00 -1.51 0.00 0.00 37.83 36.96 2sob s LYS 16 CO 0.13 -0.58 0.88 0.00 -0.36 0.00 0.00 175.35 175.42 2sob s ALA 17 N 2.86 3.20 -0.10 3.13 0.00 -1.26 -2.90 121.76 126.68 2sob s ALA 17 Ca 0.18 -1.49 -0.00 0.00 0.00 0.00 0.00 51.96 50.65 2sob s ALA 17 Cb -0.15 -3.68 -0.00 0.00 0.00 0.00 0.00 23.12 19.29 2sob s ALA 17 CO -0.21 -2.40 -0.00 0.82 0.00 0.00 0.00 175.76 173.98 2sob h ILE 18 N 5.98 0.01 -0.78 0.00 5.03 -1.68 -3.47 117.51 122.60 2sob h ILE 18 Ca -0.27 -1.01 0.00 0.00 -0.12 0.00 0.00 64.86 63.46 2sob h ILE 18 Cb 1.08 0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 2sob h ILE 18 CO 1.08 0.00 0.00 -0.67 -0.68 0.00 0.00 178.15 177.89 2sob n ASP 19 N -4.77 0.00 0.00 1.72 2.03 0.36 -4.99 116.55 110.90 2sob n ASP 19 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2sob n ASP 19 Cb 0.01 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2sob n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2sob n GLY 20 N 0.00 -2.57 0.45 0.27 0.00 -1.26 -3.37 105.19 98.71 2sob n GLY 20 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.28 2sob n GLY 20 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2sob h ASP 21 N 0.00 0.15 -1.91 1.61 5.19 -1.82 -3.28 116.42 116.36 2sob h ASP 21 Ca 0.00 0.02 -0.69 0.00 -0.62 0.00 0.00 57.03 55.74 2sob h ASP 21 Cb 0.00 -0.01 -0.15 0.00 0.18 0.00 0.00 39.33 39.35 2sob h ASP 21 CO 0.00 0.05 1.30 -0.89 -3.12 0.00 0.00 179.24 176.57 2sob s THR 22 N -5.14 4.62 -0.14 0.35 2.01 -1.22 -2.75 115.64 113.37 2sob s THR 22 Ca -0.06 -1.84 -0.02 0.00 0.31 0.00 0.00 61.69 60.08 2sob s THR 22 Cb 0.22 -4.92 0.04 0.00 0.01 0.00 0.00 72.50 67.85 2sob s THR 22 CO 0.78 -1.68 -0.00 0.68 -0.69 0.00 0.00 174.62 173.70 2sob s VAL 23 N 2.89 0.65 -0.14 3.82 -7.23 -1.24 -0.48 120.40 118.67 2sob s VAL 23 Ca 0.41 -0.35 -0.07 0.00 -1.81 0.00 0.00 61.98 60.16 2sob s VAL 23 Cb -0.02 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 2sob s VAL 23 CO -0.04 0.05 0.10 -0.75 -0.31 0.00 0.00 175.10 174.15 2sob s LYS 24 N 1.83 3.63 -0.06 4.82 2.20 -1.14 0.04 119.74 131.05 2sob s LYS 24 Ca 0.02 -0.23 -0.31 0.00 -0.36 0.00 0.00 55.97 55.09 2sob s LYS 24 Cb -0.15 -3.19 0.07 0.00 -1.51 0.00 0.00 37.83 33.06 2sob s LYS 24 CO -0.07 0.58 0.70 -0.48 -0.36 0.00 0.00 175.35 175.71 2sob s LEU 25 N -0.46 -0.65 -0.64 5.43 -0.00 -1.23 -3.25 118.68 117.87 2sob s LEU 25 Ca 0.11 0.71 -0.24 0.00 -0.00 0.00 0.00 54.13 54.71 2sob s LEU 25 Cb -0.12 2.51 0.05 0.00 -0.00 0.00 0.00 46.19 48.63 2sob s LEU 25 CO 0.02 -0.59 1.03 -0.32 -0.00 0.00 0.00 176.35 176.48 2sob s MET 26 N -1.17 3.20 -0.13 1.48 1.75 -1.23 -3.86 119.30 119.33 2sob s MET 26 Ca -0.10 -0.53 0.13 0.00 -1.25 0.00 0.00 55.69 53.94 2sob s MET 26 Cb -0.00 -4.17 -0.19 0.00 2.84 0.00 0.00 34.83 33.32 2sob s MET 26 CO 0.10 -1.79 0.08 2.48 -0.65 0.00 0.00 175.02 175.23 2sob n TYR 27 N 8.00 0.00 -2.74 4.11 4.11 -1.26 -3.80 117.16 125.58 2sob n TYR 27 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.85 2sob n TYR 27 Cb 0.47 -0.68 0.06 0.00 -0.00 0.00 0.00 39.34 39.18 2sob n TYR 27 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2sob n LYS 28 N -2.49 1.42 -1.41 -3.48 3.00 -1.26 -4.93 118.16 109.00 2sob n LYS 28 Ca -0.22 -2.99 -0.14 0.00 -0.00 0.00 0.00 58.31 54.97 2sob n LYS 28 Cb 0.92 -1.09 -0.06 0.00 0.00 0.00 0.00 35.03 34.80 2sob n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2sob n GLY 29 N -0.51 1.47 2.51 3.14 0.00 -1.26 -4.94 105.19 105.60 2sob n GLY 29 Ca 0.04 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.18 0.53 0.06 1.61 -2.07 -1.26 -5.11 119.66 110.23 2sob s GLN 30 Ca 0.00 -1.19 -0.31 0.00 -1.82 0.00 0.00 55.36 52.05 2sob s GLN 30 Cb 0.00 -1.19 -0.08 0.00 -1.09 0.00 0.00 33.01 30.65 2sob s GLN 30 CO 0.00 -1.19 1.67 -1.25 -1.32 0.00 0.00 175.29 173.20 2sob s PRO 31 N 1.22 4.19 0.18 9.60 0.04 -1.26 -4.53 135.00 144.44 2sob s PRO 31 Ca 0.17 2.34 -0.23 0.00 0.04 0.00 0.00 61.00 63.32 2sob s PRO 31 Cb -0.21 -3.66 0.06 0.00 0.04 0.00 0.00 34.50 30.73 2sob s PRO 31 CO -0.03 -0.76 0.66 0.00 0.04 0.00 0.00 177.00 176.92 2sob s MET 32 N 2.86 1.38 0.59 4.56 0.23 -1.25 -4.88 119.30 122.78 2sob s MET 32 Ca 0.75 -0.60 -0.20 0.00 -1.03 0.00 0.00 55.69 54.61 2sob s MET 32 Cb -0.39 0.58 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 2sob s MET 32 CO 0.33 -0.61 1.30 0.25 -2.03 0.00 0.00 175.02 174.26 2sob n THR 33 N -0.39 4.25 -2.10 3.16 -2.24 -1.22 -3.55 114.28 112.18 2sob n THR 33 Ca -0.13 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.02 2sob n THR 33 Cb 0.63 -1.56 0.06 0.00 -2.10 0.00 0.00 70.33 67.36 2sob n THR 33 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2sob n PHE 34 N -1.41 1.91 -3.56 4.78 3.01 0.11 -4.00 117.46 118.30 2sob n PHE 34 Ca 0.13 -2.01 -0.13 0.00 1.01 0.00 0.00 57.45 56.45 2sob n PHE 34 Cb 0.46 -0.30 -0.05 0.00 -0.01 0.00 0.00 39.48 39.58 2sob n PHE 34 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 2sob s ARG 35 N -3.41 1.08 0.00 -1.08 1.70 -1.11 -2.82 118.95 113.31 2sob s ARG 35 Ca 0.44 -0.31 0.00 0.00 -0.47 0.00 0.00 55.73 55.39 2sob s ARG 35 Cb 0.39 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 35.26 2sob s ARG 35 CO -0.00 -0.41 0.00 -0.11 -1.08 0.00 0.00 175.30 173.70 2sob n LEU 36 N 0.23 0.48 0.07 -1.89 -0.00 -1.26 -4.63 117.00 109.99 2sob n LEU 36 Ca -0.18 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 55.95 2sob n LEU 36 Cb 0.61 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 44.06 2sob n LEU 36 CO 0.18 0.08 0.03 0.00 -0.00 0.00 0.00 177.39 177.68 2sob n LEU 37 N -1.56 0.72 0.00 -1.96 -0.00 -1.26 -4.49 117.00 108.45 2sob n LEU 37 Ca 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 56.01 56.23 2sob n LEU 37 Cb 0.29 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 2sob n LEU 37 CO 0.00 -0.11 0.10 -0.11 -0.00 0.00 0.00 177.39 177.27 2sob n LEU 38 N -2.41 0.66 -4.54 1.47 -0.00 -1.26 -4.27 117.00 106.65 2sob n LEU 38 Ca 0.01 0.20 -0.42 0.00 -0.00 0.00 0.00 56.01 55.80 2sob n LEU 38 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.91 2sob n LEU 38 CO 0.40 0.00 1.55 -0.69 -0.00 0.00 0.00 177.39 178.65 2sob s VAL 39 N -0.41 4.20 -0.11 1.96 1.01 -1.26 -4.46 120.40 121.34 2sob s VAL 39 Ca 0.00 -1.41 0.05 0.00 0.00 0.00 0.00 61.98 60.62 2sob s VAL 39 Cb 0.00 -5.05 0.14 0.00 0.00 0.00 0.00 36.38 31.48 2sob s VAL 39 CO 0.00 -1.87 1.18 -0.67 0.00 0.00 0.00 175.10 173.74 2sob n ASP 40 N 8.09 -1.12 -0.06 3.32 2.03 -1.26 -4.60 116.55 122.95 2sob n ASP 40 Ca 0.37 -2.07 -0.08 0.00 0.52 0.00 0.00 54.79 53.53 2sob n ASP 40 Cb 0.48 0.42 -0.06 0.00 -0.72 0.00 0.00 41.12 41.24 2sob n ASP 40 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2sob h THR 41 N 4.70 0.80 -0.63 5.18 2.02 -1.88 -3.42 112.91 119.67 2sob h THR 41 Ca -0.52 -1.64 -0.13 0.00 0.77 0.00 0.00 66.41 64.88 2sob h THR 41 Cb 1.38 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 2sob h THR 41 CO -0.25 0.27 0.40 -2.16 0.37 0.00 0.00 175.52 174.15 2sob s PRO 42 N -1.95 1.87 -0.08 6.66 0.04 -1.26 -4.58 135.00 135.70 2sob s PRO 42 Ca -0.11 0.45 0.16 0.00 0.04 0.00 0.00 61.00 61.54 2sob s PRO 42 Cb -0.01 -4.80 0.30 0.00 0.04 0.00 0.00 34.50 30.04 2sob s PRO 42 CO 0.35 -4.05 1.15 0.39 0.04 0.00 0.00 177.00 174.88 2sob n GLU 43 N 8.86 0.43 -3.43 4.56 1.02 -1.26 -5.09 120.64 125.73 2sob n GLU 43 Ca 0.43 -1.81 -0.12 0.00 -0.02 0.00 0.00 57.16 55.64 2sob n GLU 43 Cb 0.46 -0.03 -0.03 0.00 -0.02 0.00 0.00 31.44 31.81 2sob n GLU 43 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2sob n THR 44 N -0.08 0.00 0.01 2.62 -2.24 -1.26 -5.07 114.28 108.26 2sob n THR 44 Ca -0.08 -1.42 -0.18 0.00 -2.27 0.00 0.00 64.05 60.10 2sob n THR 44 Cb 0.92 0.84 -0.14 0.00 -2.10 0.00 0.00 70.33 69.85 2sob n THR 44 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2sob h LYS 45 N 0.00 0.22 -2.91 -0.78 1.57 -2.01 -3.41 116.57 109.26 2sob h LYS 45 Ca -0.20 -0.35 -0.61 0.00 -1.87 0.00 0.00 60.65 57.62 2sob h LYS 45 Cb 0.89 0.13 -0.40 0.00 0.08 0.00 0.00 32.23 32.93 2sob h LYS 45 CO 0.27 1.15 -0.74 -1.01 -0.57 0.00 0.00 179.45 178.56 2sob s HIS 46 N -2.47 2.26 -0.68 -1.35 3.76 -1.26 -5.01 115.29 110.54 2sob s HIS 46 Ca -0.15 -2.67 -0.04 0.00 -0.15 0.00 0.00 55.06 52.05 2sob s HIS 46 Cb 0.00 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 2sob s HIS 46 CO 0.79 -0.73 1.84 -0.35 -0.85 0.00 0.00 174.74 175.44 2sob n PRO 47 N 3.00 1.57 -3.13 8.40 -0.04 -1.26 -4.43 135.00 139.11 2sob n PRO 47 Ca 0.15 -1.20 -0.20 0.00 -0.04 0.00 0.00 63.50 62.21 2sob n PRO 47 Cb 0.37 -2.32 -0.00 0.00 -0.04 0.00 0.00 33.50 31.50 2sob n PRO 47 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2sob n LYS 48 N 4.34 -3.10 -3.60 0.54 5.02 -1.26 -1.97 118.16 118.13 2sob n LYS 48 Ca 0.33 0.47 -0.28 0.00 -2.02 0.00 0.00 58.31 56.81 2sob n LYS 48 Cb 0.11 -5.15 0.05 0.00 -0.02 0.00 0.00 35.03 30.02 2sob n LYS 48 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2sob n LYS 49 N -3.47 -1.51 0.00 1.97 3.00 -1.26 -4.96 118.16 111.93 2sob n LYS 49 Ca -0.04 0.54 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 2sob n LYS 49 Cb 0.55 -4.47 0.00 0.00 0.00 0.00 0.00 35.03 31.11 2sob n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2sob n GLY 50 N -1.60 2.95 0.00 3.14 0.00 -0.83 -5.19 105.19 103.66 2sob n GLY 50 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2sob n GLY 50 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2sob n VAL 51 N -0.32 0.00 -2.48 1.61 0.24 -1.26 -4.77 118.33 111.35 2sob n VAL 51 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 2sob n VAL 51 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 2sob n VAL 51 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2sob s GLU 52 N 0.98 4.29 -1.01 7.34 2.56 -1.26 -4.97 118.70 126.63 2sob s GLU 52 Ca 0.00 1.61 -0.05 0.00 0.00 0.00 0.00 54.97 56.53 2sob s GLU 52 Cb 0.00 -3.67 0.25 0.00 2.00 0.00 0.00 34.13 32.71 2sob s GLU 52 CO 0.00 -0.59 0.96 0.15 -0.56 0.00 0.00 175.26 175.22 2sob s LYS 53 N 2.96 3.77 -1.14 4.30 1.02 -1.26 -4.80 119.74 124.59 2sob s LYS 53 Ca 0.53 -3.27 -0.03 0.00 0.02 0.00 0.00 55.97 53.23 2sob s LYS 53 Cb -0.22 -4.27 0.00 0.00 -0.52 0.00 0.00 37.83 32.83 2sob s LYS 53 CO 0.16 -1.25 0.05 2.48 -0.92 0.00 0.00 175.35 175.87 2sob n TYR 54 N 2.49 -0.95 -1.32 3.18 4.11 -1.26 -3.00 117.16 120.40 2sob n TYR 54 Ca 0.23 0.42 0.00 0.00 -0.00 0.00 0.00 57.90 58.54 2sob n TYR 54 Cb 0.38 -2.10 0.00 0.00 -0.00 0.00 0.00 39.34 37.62 2sob n TYR 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2sob n GLY 55 N -2.16 -0.55 0.00 -7.48 0.00 -1.26 -4.90 105.19 88.84 2sob n GLY 55 Ca -0.23 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2sob n GLY 55 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2sob n PRO 56 N -0.44 0.00 0.01 1.61 -0.02 -1.16 -4.21 135.00 130.80 2sob n PRO 56 Ca 0.00 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2sob n PRO 56 Cb 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2sob n PRO 56 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2sob n GLU 57 N -1.81 0.00 -0.15 -0.52 0.00 -1.26 -4.70 120.64 112.20 2sob n GLU 57 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 2sob n GLU 57 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2sob n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2sob h ALA 58 N 0.00 0.57 -0.13 -1.84 0.00 -2.00 -0.87 119.26 114.99 2sob h ALA 58 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2sob h ALA 58 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2sob h ALA 58 CO 0.00 0.16 -0.52 0.77 0.00 0.00 0.00 179.25 179.65 2sob h SER 59 N 0.57 0.39 -0.75 0.00 0.02 -1.91 -2.96 113.55 108.89 2sob h SER 59 Ca 0.15 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 2sob h SER 59 Cb 0.16 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2sob h SER 59 CO -0.02 0.84 0.34 0.00 -1.14 0.00 0.00 176.83 176.85 2sob h ALA 60 N 1.17 0.97 0.00 3.77 0.00 -1.61 0.11 119.26 123.68 2sob h ALA 60 Ca 0.01 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2sob h ALA 60 Cb 1.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2sob h ALA 60 CO 0.09 0.56 -0.34 0.74 0.00 0.00 0.00 179.25 180.30 2sob h PHE 61 N 1.07 0.00 0.05 0.00 0.04 -1.07 0.81 116.94 117.84 2sob h PHE 61 Ca 0.26 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.78 2sob h PHE 61 Cb 0.16 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 2sob h PHE 61 CO 0.01 0.34 -1.17 1.15 -0.60 0.00 0.00 178.31 178.04 2sob h THR 62 N 0.00 1.54 0.00 -1.55 2.02 -1.25 -3.14 112.91 110.52 2sob h THR 62 Ca -0.00 -3.21 -0.01 0.00 0.77 0.00 0.00 66.41 63.96 2sob h THR 62 Cb 0.63 2.84 -0.00 0.00 -1.74 0.00 0.00 68.15 69.88 2sob h THR 62 CO 0.04 0.90 -0.07 0.50 0.37 0.00 0.00 175.52 177.27 2sob h LYS 63 N 0.03 0.00 0.05 6.66 3.11 -0.40 -3.25 116.57 122.76 2sob h LYS 63 Ca -0.09 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.51 2sob h LYS 63 Cb 1.87 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.08 2sob h LYS 63 CO 0.15 0.03 -1.14 1.57 -2.81 0.00 0.00 179.45 177.25 2sob h LYS 64 N 0.00 0.11 -0.09 1.90 5.09 -0.88 -3.15 116.57 119.55 2sob h LYS 64 Ca -0.00 -0.18 0.03 0.00 0.09 0.00 0.00 60.65 60.58 2sob h LYS 64 Cb 1.02 0.07 -0.00 0.00 0.10 0.00 0.00 32.23 33.42 2sob h LYS 64 CO 0.00 1.06 0.09 0.00 -2.09 0.00 0.00 179.45 178.52 2sob h MET 65 N 0.03 0.00 0.00 0.07 -0.00 -1.58 0.55 114.93 114.00 2sob h MET 65 Ca -0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.60 2sob h MET 65 Cb 1.86 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.46 2sob h MET 65 CO 0.16 0.00 -0.18 -0.07 -0.00 0.00 0.00 176.91 176.81 2sob h LEU 66 N 0.00 0.00 0.00 -0.10 -0.00 -1.68 -1.35 115.31 112.18 2sob h LEU 66 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.80 2sob h LEU 66 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.86 2sob h LEU 66 CO -0.00 0.11 -0.91 -0.33 -0.00 0.00 0.00 178.44 177.31 2sob h GLU 67 N 0.00 0.00 0.00 1.13 5.08 0.05 -3.40 114.58 117.44 2sob h GLU 67 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2sob h GLU 67 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2sob h GLU 67 CO 0.01 0.37 0.00 0.27 -1.00 0.00 0.00 179.01 178.66 2sob n ASN 68 N -3.04 0.45 -4.79 1.42 0.23 -0.65 -5.02 115.26 103.86 2sob n ASN 68 Ca -0.03 -0.75 -0.37 0.00 -0.53 0.00 0.00 54.58 52.90 2sob n ASN 68 Cb 0.76 0.30 -0.06 0.00 -2.08 0.00 0.00 39.78 38.70 2sob n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2sob s ALA 69 N -0.30 3.25 -0.10 -2.53 0.00 -0.51 -4.98 121.76 116.59 2sob s ALA 69 Ca 0.00 0.44 -0.07 0.00 0.00 0.00 0.00 51.96 52.33 2sob s ALA 69 Cb 0.00 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 2sob s ALA 69 CO 0.00 0.21 -0.17 1.63 0.00 0.00 0.00 175.76 177.43 2sob n LYS 70 N 0.57 0.27 -2.88 0.00 4.76 -1.26 -4.45 118.16 115.17 2sob n LYS 70 Ca 0.01 0.12 -0.42 0.00 -2.87 0.00 0.00 58.31 55.15 2sob n LYS 70 Cb 0.50 -0.96 -0.04 0.00 -1.84 0.00 0.00 35.03 32.69 2sob n LYS 70 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2sob s LYS 71 N -2.31 4.16 -0.30 1.97 2.36 -1.26 -4.44 119.74 119.92 2sob s LYS 71 Ca -0.17 0.92 0.03 0.00 -2.55 0.00 0.00 55.97 54.20 2sob s LYS 71 Cb 0.05 -3.66 0.08 0.00 -1.05 0.00 0.00 37.83 33.26 2sob s LYS 71 CO 0.22 -0.56 -0.01 0.42 1.55 0.00 0.00 175.35 176.98 2sob s ILE 72 N 2.90 2.05 -1.41 5.43 1.01 -1.26 -3.65 121.20 126.27 2sob s ILE 72 Ca 0.35 -1.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.00 2sob s ILE 72 Cb -0.15 -2.38 0.06 0.00 0.01 0.00 0.00 42.46 40.00 2sob s ILE 72 CO 0.08 -0.37 2.48 -0.62 0.00 0.00 0.00 174.94 176.52 2sob n GLU 73 N 4.40 4.14 -1.47 2.79 4.71 -1.26 0.60 120.64 134.56 2sob n GLU 73 Ca -0.04 -3.07 -0.62 0.00 -0.01 0.00 0.00 57.16 53.42 2sob n GLU 73 Cb 0.42 -2.75 -0.11 0.00 -1.01 0.00 0.00 31.44 28.00 2sob n GLU 73 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 2sob n VAL 74 N 2.62 0.00 -3.24 2.62 0.24 -0.79 -3.55 118.33 116.24 2sob n VAL 74 Ca 0.64 0.00 -0.46 0.00 -2.04 0.00 0.00 64.34 62.48 2sob n VAL 74 Cb 0.26 -0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 32.12 2sob n VAL 74 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2sob s GLU 75 N 4.24 3.31 0.45 7.34 1.03 -0.45 -2.66 118.70 131.96 2sob s GLU 75 Ca 1.08 -1.95 0.05 0.00 0.03 0.00 0.00 54.97 54.19 2sob s GLU 75 Cb -1.45 -4.41 -0.05 0.00 -0.80 0.00 0.00 34.13 27.42 2sob s GLU 75 CO 0.72 -1.40 0.03 -0.59 -1.33 0.00 0.00 175.26 172.69 2sob s PHE 76 N 1.34 2.29 -0.07 4.83 -0.12 -1.26 -2.35 117.98 122.63 2sob s PHE 76 Ca 0.14 -0.76 -0.25 0.00 -0.05 0.00 0.00 56.93 56.00 2sob s PHE 76 Cb -0.18 -1.74 -0.03 0.00 -0.63 0.00 0.00 43.02 40.43 2sob s PHE 76 CO -0.02 0.33 0.80 -0.51 -0.05 0.00 0.00 175.22 175.77 2sob s ASP 77 N -3.80 7.08 0.16 1.98 1.01 -1.26 -1.29 116.67 120.56 2sob s ASP 77 Ca 0.26 1.31 -0.31 0.00 0.71 0.00 0.00 52.55 54.52 2sob s ASP 77 Cb 0.06 -2.46 -0.09 0.00 1.01 0.00 0.00 42.92 41.45 2sob s ASP 77 CO 0.13 -0.20 1.39 -1.59 0.21 0.00 0.00 175.17 175.11 2sob s LYS 78 N 1.09 4.32 0.00 8.23 -2.85 -1.26 -2.27 119.74 127.00 2sob s LYS 78 Ca 0.41 2.13 0.00 0.00 -1.00 0.00 0.00 55.97 57.51 2sob s LYS 78 Cb -0.18 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.38 2sob s LYS 78 CO 0.20 -0.40 0.00 0.41 0.10 0.00 0.00 175.35 175.66 2sob n GLY 79 N 3.02 3.18 0.00 0.59 0.00 -1.26 -3.89 105.19 106.82 2sob n GLY 79 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2sob n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2sob n GLN 80 N -2.00 0.00 0.00 1.61 0.00 -0.96 -4.83 117.38 111.20 2sob n GLN 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2sob n GLN 80 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 30.24 29.93 2sob n GLN 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2sob n ARG 81 N -0.37 0.00 -3.67 3.69 1.74 -1.24 -4.69 116.66 112.13 2sob n ARG 81 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 2sob n ARG 81 Cb 0.00 -0.15 -0.09 0.00 -1.02 0.00 0.00 32.46 31.20 2sob n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2sob s THR 82 N 0.00 -0.01 0.12 0.55 -4.23 -1.23 -2.22 115.64 108.63 2sob s THR 82 Ca 0.00 0.03 -0.31 0.00 -1.18 0.00 0.00 61.69 60.23 2sob s THR 82 Cb 0.00 -0.83 -0.10 0.00 1.34 0.00 0.00 72.50 72.91 2sob s THR 82 CO 0.00 0.01 1.51 -0.78 -0.54 0.00 0.00 174.62 174.83 2sob h ASP 83 N 6.57 -1.75 0.00 3.99 3.58 -1.83 -3.23 116.42 123.75 2sob h ASP 83 Ca -0.32 0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2sob h ASP 83 Cb 1.20 0.72 0.00 0.00 1.72 0.00 0.00 39.33 42.97 2sob h ASP 83 CO 0.20 -0.38 -0.27 1.17 -2.88 0.00 0.00 179.24 177.08 2sob n LYS 84 N -5.20 0.57 0.00 0.28 4.81 -1.26 -4.90 118.16 112.46 2sob n LYS 84 Ca -0.03 -1.51 0.00 0.00 -0.87 0.00 0.00 58.31 55.89 2sob n LYS 84 Cb 0.32 -0.86 0.00 0.00 0.02 0.00 0.00 35.03 34.51 2sob n LYS 84 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2sob n TYR 85 N -0.50 0.00 -0.03 5.64 9.36 -1.22 -5.02 117.16 125.39 2sob n TYR 85 Ca 0.05 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.25 2sob n TYR 85 Cb 0.64 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.30 2sob n TYR 85 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2sob n GLY 86 N -0.42 -0.33 3.63 2.98 0.00 -1.26 -5.04 105.19 104.74 2sob n GLY 86 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.19 0.18 -1.26 1.61 6.06 -1.26 -4.94 118.95 117.14 2sob s ARG 87 Ca -0.03 0.06 -0.12 0.00 -2.50 0.00 0.00 55.73 53.14 2sob s ARG 87 Cb 0.02 0.08 0.16 0.00 0.06 0.00 0.00 34.95 35.27 2sob s ARG 87 CO 0.28 -0.05 1.67 0.28 -2.50 0.00 0.00 175.30 174.98 2sob n VAL 88 N 0.73 4.25 -1.56 7.11 0.31 -0.94 -3.33 118.33 124.90 2sob n VAL 88 Ca -0.04 -4.49 -0.15 0.00 -0.01 0.00 0.00 64.34 59.66 2sob n VAL 88 Cb 0.58 -2.42 -0.07 0.00 -0.91 0.00 0.00 33.84 31.03 2sob n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2sob n LEU 89 N 5.04 1.79 0.00 7.52 -0.00 -1.26 -3.60 117.00 126.49 2sob n LEU 89 Ca 0.39 -1.42 0.00 0.00 -0.00 0.00 0.00 56.01 54.98 2sob n LEU 89 Cb 0.40 -1.64 0.00 0.00 -0.00 0.00 0.00 43.42 42.18 2sob n LEU 89 CO 0.73 -2.56 0.00 0.00 -0.00 0.00 0.00 177.39 175.56 2sob n ALA 90 N 18.40 0.00 -2.32 1.47 0.00 -1.13 -4.63 120.51 132.30 2sob n ALA 90 Ca 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.83 2sob n ALA 90 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 2sob n ALA 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2sob s TYR 91 N -3.04 0.41 -0.26 0.00 2.02 -0.99 -4.60 117.35 110.88 2sob s TYR 91 Ca 0.00 -0.88 -0.00 0.00 -0.37 0.00 0.00 57.07 55.82 2sob s TYR 91 Cb 0.00 -0.30 0.04 0.00 -0.40 0.00 0.00 41.96 41.30 2sob s TYR 91 CO 0.00 -0.38 -0.07 0.42 -1.57 0.00 0.00 175.55 173.95 2sob s ILE 92 N -3.49 2.65 -0.68 2.71 -1.09 -1.26 -1.34 121.20 118.70 2sob s ILE 92 Ca 0.03 -1.29 -0.00 0.00 -2.23 0.00 0.00 60.65 57.16 2sob s ILE 92 Cb 0.05 -2.44 0.40 0.00 -1.58 0.00 0.00 42.46 38.89 2sob s ILE 92 CO -0.09 0.08 1.80 -1.22 -1.23 0.00 0.00 174.94 174.29 2sob n TYR 93 N 4.59 3.10 -2.61 3.97 4.01 -1.26 -4.66 117.16 124.30 2sob n TYR 93 Ca -0.15 -2.64 -0.43 0.00 -0.16 0.00 0.00 57.90 54.51 2sob n TYR 93 Cb 0.45 -1.01 -0.02 0.00 -0.31 0.00 0.00 39.34 38.45 2sob n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2sob s ALA 94 N -3.88 3.23 -1.66 -0.72 0.00 -1.26 -3.44 121.76 114.04 2sob s ALA 94 Ca 0.55 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2sob s ALA 94 Cb 0.45 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2sob s ALA 94 CO -0.22 -2.09 0.00 -0.25 0.00 0.00 0.00 175.76 173.20 2sob n ASP 95 N 7.63 -4.19 0.09 0.00 9.92 -1.24 -4.46 116.55 124.30 2sob n ASP 95 Ca 0.12 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 2sob n ASP 95 Cb 0.49 -3.80 0.00 0.00 -0.64 0.00 0.00 41.12 37.17 2sob n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2sob n GLY 96 N -0.28 -0.18 2.22 0.44 0.00 -1.23 -4.97 105.19 101.18 2sob n GLY 96 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.43 -2.02 0.02 1.61 4.81 -1.22 -4.76 118.16 113.17 2sob n LYS 97 Ca 0.00 0.49 -0.22 0.00 -0.87 0.00 0.00 58.31 57.71 2sob n LYS 97 Cb 0.00 -4.93 -0.14 0.00 0.02 0.00 0.00 35.03 29.98 2sob n LYS 97 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2sob h MET 98 N 0.00 0.27 0.00 1.64 -0.00 -1.91 -3.26 114.93 111.67 2sob h MET 98 Ca -0.21 -0.46 -0.04 0.00 -0.00 0.00 0.00 59.70 58.99 2sob h MET 98 Cb 0.99 0.17 -0.01 0.00 -0.00 0.00 0.00 31.60 32.75 2sob h MET 98 CO 0.27 1.22 -0.20 0.28 -0.00 0.00 0.00 176.91 178.48 2sob h VAL 99 N -0.18 0.45 -0.92 -0.10 2.07 -1.89 -2.90 116.25 112.78 2sob h VAL 99 Ca -0.34 -1.11 0.18 0.00 0.82 0.00 0.00 66.70 66.25 2sob h VAL 99 Cb 1.86 1.80 -0.08 0.00 -1.52 0.00 0.00 31.29 33.35 2sob h VAL 99 CO 0.08 0.19 0.59 -1.13 0.02 0.00 0.00 177.57 177.32 2sob h ASN 100 N 0.00 0.57 -0.60 0.57 -0.73 -1.92 -1.05 115.58 112.43 2sob h ASN 100 Ca -0.00 0.05 0.11 0.00 1.87 0.00 0.00 56.30 58.34 2sob h ASN 100 Cb 0.78 -0.06 -0.09 0.00 0.27 0.00 0.00 38.32 39.23 2sob h ASN 100 CO 0.03 0.25 0.11 -0.08 -0.37 0.00 0.00 177.43 177.36 2sob h GLU 101 N 0.58 0.22 -6.31 6.67 4.22 -1.63 -3.37 114.58 114.97 2sob h GLU 101 Ca 0.49 -0.01 -0.57 0.00 0.08 0.00 0.00 59.36 59.34 2sob h GLU 101 Cb 0.96 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 2sob h GLU 101 CO -0.23 0.15 1.15 0.00 -2.18 0.00 0.00 179.01 177.90 2sob s ALA 102 N -6.11 3.17 0.00 2.92 0.00 -0.40 -5.18 121.76 116.15 2sob s ALA 102 Ca -0.13 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2sob s ALA 102 Cb 0.18 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2sob s ALA 102 CO 0.74 -2.13 0.00 -0.11 0.00 0.00 0.00 175.76 174.25