#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 1.98 -0.54 0.00 -4.23 -1.26 -4.92 115.64 106.66 2sob s THR 2 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 2sob s THR 2 Cb 0.00 -2.90 0.58 0.00 1.34 0.00 0.00 72.50 71.52 2sob s THR 2 CO 0.00 0.00 1.97 -1.20 -0.54 0.00 0.00 174.62 174.85 2sob n SER 3 N -3.62 5.46 -1.10 3.99 7.64 -1.26 -4.24 113.62 120.49 2sob n SER 3 Ca 0.09 -3.69 -0.04 0.00 1.01 0.00 0.00 58.87 56.24 2sob n SER 3 Cb 0.60 -0.90 -0.05 0.00 -1.01 0.00 0.00 64.21 62.85 2sob n SER 3 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2sob n THR 4 N -1.05 0.00 -1.84 0.44 5.66 -1.26 -5.13 114.28 111.10 2sob n THR 4 Ca 0.61 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 61.39 2sob n THR 4 Cb 1.24 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 70.62 2sob n THR 4 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2sob n LYS 5 N 0.11 2.17 0.00 1.09 3.00 -1.26 -5.03 118.16 118.24 2sob n LYS 5 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 2sob n LYS 5 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.83 2sob n LYS 5 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2sob n LYS 6 N -0.24 0.00 -3.34 1.64 0.00 -1.26 -4.66 118.16 110.30 2sob n LYS 6 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 2sob n LYS 6 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 34.96 2sob n LYS 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2sob s LEU 7 N 0.00 -0.30 0.00 -5.58 1.43 -1.26 -3.82 118.68 109.14 2sob s LEU 7 Ca 0.00 -1.32 0.00 0.00 -1.03 0.00 0.00 54.13 51.78 2sob s LEU 7 Cb 0.00 0.76 0.00 0.00 0.03 0.00 0.00 46.19 46.98 2sob s LEU 7 CO 0.00 -0.27 0.00 1.57 0.23 0.00 0.00 176.35 177.88 2sob n HIS 8 N 4.45 0.00 -3.65 0.29 -0.00 -1.26 -4.77 115.22 110.28 2sob n HIS 8 Ca 0.09 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.23 2sob n HIS 8 Cb 0.47 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.27 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 3.35 0.20 -0.29 1.57 -2.85 -1.23 -3.96 119.74 116.52 2sob s LYS 9 Ca 0.00 0.26 -0.14 0.00 -1.00 0.00 0.00 55.97 55.09 2sob s LYS 9 Cb 0.00 0.09 0.11 0.00 -2.06 0.00 0.00 37.83 35.97 2sob s LYS 9 CO 0.00 -0.03 0.71 -1.21 0.10 0.00 0.00 175.35 174.93 2sob s GLU 10 N 0.32 0.61 0.29 1.78 0.41 -0.96 -4.85 118.70 116.31 2sob s GLU 10 Ca 0.03 1.24 -0.29 0.00 -0.41 0.00 0.00 54.97 55.55 2sob s GLU 10 Cb -0.05 0.43 -0.14 0.00 -1.78 0.00 0.00 34.13 32.60 2sob s GLU 10 CO -0.12 -0.16 1.14 -2.30 -0.49 0.00 0.00 175.26 173.33 2sob n PRO 11 N 4.73 1.64 -0.81 0.39 -0.02 -1.19 -1.03 135.00 138.71 2sob n PRO 11 Ca -0.16 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2sob n PRO 11 Cb 0.55 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 0.48 0.00 -3.69 3.55 0.00 0.21 -4.74 120.51 116.32 2sob n ALA 12 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.24 2sob n ALA 12 Cb 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.18 0.48 -0.34 0.00 -1.32 -1.24 -4.10 115.64 108.93 2sob s THR 13 Ca 0.00 -0.83 -0.31 0.00 -1.21 0.00 0.00 61.69 59.34 2sob s THR 13 Cb 0.00 -1.19 -0.13 0.00 -1.51 0.00 0.00 72.50 69.67 2sob s THR 13 CO 0.00 -0.46 1.31 -0.11 -2.21 0.00 0.00 174.62 173.16 2sob n LEU 14 N 5.04 0.65 -0.00 9.08 0.00 -1.24 -3.44 117.00 127.10 2sob n LEU 14 Ca -0.06 0.62 -0.00 0.00 0.00 0.00 0.00 56.01 56.57 2sob n LEU 14 Cb 0.45 -0.61 -0.00 0.00 0.00 0.00 0.00 43.42 43.25 2sob n LEU 14 CO 0.11 -0.55 -0.01 -0.38 0.00 0.00 0.00 177.39 176.55 2sob n ILE 15 N 3.73 0.04 -3.65 1.96 5.41 -1.21 -4.95 119.36 120.69 2sob n ILE 15 Ca 0.31 0.40 0.01 0.00 1.00 0.00 0.00 62.75 64.46 2sob n ILE 15 Cb -0.03 -1.43 -0.06 0.00 -0.71 0.00 0.00 39.64 37.41 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 -1.04 0.09 -0.32 0.38 2.20 -1.18 -5.04 119.74 114.82 2sob s LYS 16 Ca -0.01 0.14 -0.29 0.00 -0.36 0.00 0.00 55.97 55.46 2sob s LYS 16 Cb 0.00 0.02 0.02 0.00 -1.51 0.00 0.00 37.83 36.36 2sob s LYS 16 CO 0.01 -0.02 1.07 0.00 -0.36 0.00 0.00 175.35 176.05 2sob s ALA 17 N 0.83 3.50 0.06 3.13 0.00 -1.26 -1.76 121.76 126.27 2sob s ALA 17 Ca -0.05 -0.05 -0.37 0.00 0.00 0.00 0.00 51.96 51.49 2sob s ALA 17 Cb -0.03 -3.67 -0.20 0.00 0.00 0.00 0.00 23.12 19.22 2sob s ALA 17 CO -0.11 -1.47 1.58 0.82 0.00 0.00 0.00 175.76 176.58 2sob h ILE 18 N 5.72 0.06 -0.52 0.00 5.03 -1.88 -3.48 117.51 122.45 2sob h ILE 18 Ca -0.20 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 2sob h ILE 18 Cb 1.06 0.06 0.00 0.00 -3.03 0.00 0.00 36.82 34.91 2sob h ILE 18 CO 1.03 0.00 0.00 -0.67 -0.68 0.00 0.00 178.15 177.83 2sob n ASP 19 N -5.63 0.00 -1.92 1.72 2.03 -1.17 -4.99 116.55 106.59 2sob n ASP 19 Ca -0.16 -0.05 -0.13 0.00 0.52 0.00 0.00 54.79 54.97 2sob n ASP 19 Cb 0.50 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 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 3.51 2.02 0.27 0.00 -1.26 -3.90 105.19 105.83 2sob n GLY 20 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2sob n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2sob n ASP 21 N 1.15 -0.38 -4.52 1.61 8.00 -1.26 -4.83 116.55 116.33 2sob n ASP 21 Ca 0.28 0.14 -0.25 0.00 0.71 0.00 0.00 54.79 55.67 2sob n ASP 21 Cb 0.61 0.53 -0.11 0.00 -0.02 0.00 0.00 41.12 42.14 2sob n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2sob s THR 22 N -2.00 2.00 0.03 -3.53 2.01 -1.25 -1.66 115.64 111.23 2sob s THR 22 Ca 0.00 -2.15 -0.05 0.00 0.31 0.00 0.00 61.69 59.80 2sob s THR 22 Cb 0.00 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.86 2sob s THR 22 CO 0.00 -0.20 0.08 0.68 -0.69 0.00 0.00 174.62 174.50 2sob s VAL 23 N -2.77 0.12 -0.15 3.82 -7.23 -0.26 -3.02 120.40 110.93 2sob s VAL 23 Ca 0.32 -1.01 -0.02 0.00 -1.81 0.00 0.00 61.98 59.45 2sob s VAL 23 Cb 0.04 -0.74 -0.02 0.00 0.56 0.00 0.00 36.38 36.22 2sob s VAL 23 CO 0.15 -0.56 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.56 2sob s LYS 24 N -2.26 3.55 -0.14 4.82 2.20 -0.73 0.50 119.74 127.69 2sob s LYS 24 Ca -0.08 -0.59 -0.15 0.00 -0.36 0.00 0.00 55.97 54.79 2sob s LYS 24 Cb -0.03 -2.80 0.04 0.00 -1.51 0.00 0.00 37.83 33.53 2sob s LYS 24 CO -0.03 0.22 0.41 -1.17 -0.36 0.00 0.00 175.35 174.42 2sob s LEU 25 N 0.37 0.44 -1.01 5.43 1.98 -1.20 -3.13 118.68 121.56 2sob s LEU 25 Ca -0.07 0.74 -0.02 0.00 -2.89 0.00 0.00 54.13 51.90 2sob s LEU 25 Cb -0.15 1.43 0.31 0.00 0.66 0.00 0.00 46.19 48.44 2sob s LEU 25 CO 0.04 -0.19 1.51 0.23 -1.89 0.00 0.00 176.35 176.05 2sob n MET 26 N 2.62 4.57 0.11 1.98 2.81 -1.22 -2.40 117.12 125.59 2sob n MET 26 Ca -0.14 -4.61 -0.21 0.00 -1.81 0.00 0.00 57.70 50.93 2sob n MET 26 Cb 0.57 -2.47 -0.13 0.00 -0.71 0.00 0.00 33.22 30.48 2sob n MET 26 CO 0.00 0.00 0.00 0.10 1.51 0.00 0.00 175.97 177.58 2sob h TYR 27 N 4.91 0.83 -0.85 2.03 -0.00 -1.85 -3.28 116.97 118.76 2sob h TYR 27 Ca 0.29 -0.57 -0.48 0.00 -0.00 0.00 0.00 58.73 57.97 2sob h TYR 27 Cb 0.53 -0.05 -0.27 0.00 -0.00 0.00 0.00 36.73 36.94 2sob h TYR 27 CO 1.08 1.43 0.48 0.36 -0.00 0.00 0.00 178.16 181.50 2sob n LYS 28 N -3.69 2.31 -0.96 0.10 2.85 -1.26 -4.81 118.16 112.70 2sob n LYS 28 Ca -0.13 -3.16 0.00 0.00 -1.05 0.00 0.00 58.31 53.97 2sob n LYS 28 Cb 1.03 -2.13 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 2sob n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2sob n GLY 29 N -1.08 0.81 3.02 2.58 0.00 -1.25 -5.01 105.19 104.27 2sob n GLY 29 Ca 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.04 0.17 0.10 1.61 -2.07 -1.26 -5.06 119.66 113.11 2sob s GLN 30 Ca 0.00 0.20 -0.31 0.00 -1.82 0.00 0.00 55.36 53.43 2sob s GLN 30 Cb 0.00 0.08 -0.09 0.00 -1.09 0.00 0.00 33.01 31.92 2sob s GLN 30 CO 0.00 -0.02 1.59 -1.25 -1.32 0.00 0.00 175.29 174.29 2sob s PRO 31 N 0.08 4.22 0.13 9.60 0.04 -1.26 -4.18 135.00 143.63 2sob s PRO 31 Ca -0.00 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.36 2sob s PRO 31 Cb -0.01 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 2sob s PRO 31 CO 0.00 -0.66 0.06 0.00 0.04 0.00 0.00 177.00 176.44 2sob n MET 32 N 4.86 0.70 -3.88 4.56 0.00 -1.01 -4.94 117.12 117.41 2sob n MET 32 Ca 0.15 -1.13 -0.28 0.00 0.00 0.00 0.00 57.70 56.44 2sob n MET 32 Cb 0.40 0.67 -0.12 0.00 0.00 0.00 0.00 33.22 34.17 2sob n MET 32 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2sob s THR 33 N -2.11 2.76 0.94 3.17 -4.23 -1.25 -3.26 115.64 111.66 2sob s THR 33 Ca 0.08 -4.17 -0.11 0.00 -1.18 0.00 0.00 61.69 56.31 2sob s THR 33 Cb 0.00 -2.82 0.15 0.00 1.34 0.00 0.00 72.50 71.17 2sob s THR 33 CO 0.06 -1.01 1.05 0.49 -0.54 0.00 0.00 174.62 174.67 2sob n PHE 34 N 2.05 0.45 -3.01 3.99 3.72 0.18 -3.10 117.46 121.75 2sob n PHE 34 Ca 0.20 0.34 -0.43 0.00 -0.05 0.00 0.00 57.45 57.52 2sob n PHE 34 Cb 0.35 -1.95 -0.06 0.00 -0.94 0.00 0.00 39.48 36.88 2sob n PHE 34 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2sob s ARG 35 N -4.50 3.54 0.27 -1.08 1.70 0.00 -1.10 118.95 117.78 2sob s ARG 35 Ca 0.66 0.01 0.04 0.00 -0.47 0.00 0.00 55.73 55.97 2sob s ARG 35 Cb -0.23 -3.88 0.39 0.00 -0.57 0.00 0.00 34.95 30.66 2sob s ARG 35 CO 0.60 -0.95 1.67 1.25 -1.08 0.00 0.00 175.30 176.79 2sob h LEU 36 N 9.82 0.37 -1.89 -1.89 6.46 -1.55 -3.37 115.31 123.26 2sob h LEU 36 Ca -0.25 -0.15 -0.12 0.00 -0.12 0.00 0.00 57.88 57.24 2sob h LEU 36 Cb 1.09 -0.10 -0.12 0.00 -0.73 0.00 0.00 40.66 40.81 2sob h LEU 36 CO 0.91 0.73 -0.26 -0.11 -0.62 0.00 0.00 178.44 179.09 2sob n LEU 37 N -4.04 -0.89 -2.15 2.25 7.94 -1.21 -4.95 117.00 113.95 2sob n LEU 37 Ca -0.01 -1.87 -0.10 0.00 -1.11 0.00 0.00 56.01 52.91 2sob n LEU 37 Cb 0.48 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.41 2sob n LEU 37 CO 0.43 1.44 -0.12 0.00 -1.11 0.00 0.00 177.39 178.02 2sob n LEU 38 N 0.00 -0.89 -4.55 -1.96 -0.00 -1.26 -4.82 117.00 103.51 2sob n LEU 38 Ca -0.25 0.25 -0.34 0.00 -0.00 0.00 0.00 56.01 55.67 2sob n LEU 38 Cb 0.67 -1.87 -0.04 0.00 -0.00 0.00 0.00 43.42 42.19 2sob n LEU 38 CO -0.12 -0.22 1.60 -0.69 -0.00 0.00 0.00 177.39 177.96 2sob s VAL 39 N -2.34 3.28 -0.35 1.47 1.01 -1.24 -4.70 120.40 117.54 2sob s VAL 39 Ca 0.00 0.03 0.14 0.00 0.00 0.00 0.00 61.98 62.15 2sob s VAL 39 Cb 0.00 -3.71 0.43 0.00 0.00 0.00 0.00 36.38 33.10 2sob s VAL 39 CO 0.00 -0.68 1.20 -0.67 0.00 0.00 0.00 175.10 174.95 2sob n ASP 40 N 14.05 -0.22 -3.80 3.32 2.03 -1.26 -4.69 116.55 125.99 2sob n ASP 40 Ca 0.29 -2.48 -0.25 0.00 0.52 0.00 0.00 54.79 52.87 2sob n ASP 40 Cb 0.51 0.23 -0.17 0.00 -0.72 0.00 0.00 41.12 40.97 2sob n ASP 40 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2sob s THR 41 N -1.50 0.60 0.86 5.18 2.01 -1.26 -5.14 115.64 116.40 2sob s THR 41 Ca 0.23 -0.22 -0.10 0.00 0.31 0.00 0.00 61.69 61.91 2sob s THR 41 Cb 0.42 -0.84 0.11 0.00 0.01 0.00 0.00 72.50 72.20 2sob s THR 41 CO -0.04 0.13 1.11 -2.16 -0.69 0.00 0.00 174.62 172.97 2sob s PRO 42 N 1.86 1.50 -0.05 4.92 0.04 -1.26 -5.06 135.00 136.96 2sob s PRO 42 Ca 0.03 1.30 -0.00 0.00 0.04 0.00 0.00 61.00 62.36 2sob s PRO 42 Cb -0.14 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.63 2sob s PRO 42 CO -0.07 -2.21 -0.00 -2.00 0.04 0.00 0.00 177.00 172.75 2sob s GLU 43 N -4.78 0.48 0.31 4.56 2.12 -1.26 -5.14 118.70 115.00 2sob s GLU 43 Ca 0.64 0.07 -0.25 0.00 0.36 0.00 0.00 54.97 55.79 2sob s GLU 43 Cb -0.20 -0.71 -0.10 0.00 0.26 0.00 0.00 34.13 33.38 2sob s GLU 43 CO 0.57 -0.19 0.91 -0.08 -0.54 0.00 0.00 175.26 175.94 2sob s THR 44 N 1.38 4.26 0.11 -1.70 -1.32 -1.26 -5.06 115.64 112.05 2sob s THR 44 Ca -0.04 1.75 -0.14 0.00 -1.21 0.00 0.00 61.69 62.04 2sob s THR 44 Cb -0.13 -3.98 0.03 0.00 -1.51 0.00 0.00 72.50 66.90 2sob s THR 44 CO -0.02 0.14 0.35 -0.54 -2.21 0.00 0.00 174.62 172.33 2sob s LYS 45 N -2.07 1.01 0.68 7.08 1.02 -1.26 -5.17 119.74 121.03 2sob s LYS 45 Ca 0.49 -0.76 -0.11 0.00 0.02 0.00 0.00 55.97 55.61 2sob s LYS 45 Cb -0.18 0.44 -0.00 0.00 -0.52 0.00 0.00 37.83 37.56 2sob s LYS 45 CO 0.23 -0.38 1.07 -3.38 -0.92 0.00 0.00 175.35 171.98 2sob s HIS 46 N -3.78 3.41 -0.22 3.18 -3.43 -1.26 -4.94 115.29 108.24 2sob s HIS 46 Ca 0.03 1.16 -0.28 0.00 -0.80 0.00 0.00 55.06 55.17 2sob s HIS 46 Cb 0.03 -2.94 -0.05 0.00 -1.43 0.00 0.00 32.58 28.19 2sob s HIS 46 CO -0.12 -1.03 2.21 -2.14 -2.00 0.00 0.00 174.74 171.67 2sob s PRO 47 N -5.27 3.13 0.09 -0.38 0.02 -1.26 -4.92 135.00 126.41 2sob s PRO 47 Ca 0.57 2.01 -0.25 0.00 0.02 0.00 0.00 61.00 63.35 2sob s PRO 47 Cb -0.11 -4.37 0.08 0.00 0.02 0.00 0.00 34.50 30.12 2sob s PRO 47 CO 0.53 -2.11 0.71 -1.59 -0.33 0.00 0.00 177.00 174.21 2sob s LYS 48 N 6.35 1.10 0.24 5.54 -2.85 -1.26 -5.14 119.74 123.71 2sob s LYS 48 Ca 1.00 -0.40 -0.30 0.00 -1.00 0.00 0.00 55.97 55.27 2sob s LYS 48 Cb -0.33 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 35.86 2sob s LYS 48 CO 0.35 -0.48 1.26 -1.59 0.10 0.00 0.00 175.35 174.99 2sob s LYS 49 N -3.49 4.44 0.00 1.78 0.00 -1.26 -5.03 119.74 116.18 2sob s LYS 49 Ca 0.03 2.02 0.00 0.00 0.00 0.00 0.00 55.97 58.02 2sob s LYS 49 Cb -0.01 -3.17 0.00 0.00 0.00 0.00 0.00 37.83 34.65 2sob s LYS 49 CO -0.11 -0.13 0.00 0.41 0.00 0.00 0.00 175.35 175.51 2sob n GLY 50 N 1.77 1.26 3.63 0.59 0.00 -1.26 -5.14 105.19 106.04 2sob n GLY 50 Ca 0.03 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 2sob n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2sob s VAL 51 N 4.00 0.00 0.01 1.61 0.11 -1.26 -5.13 120.40 119.74 2sob s VAL 51 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 2sob s VAL 51 Cb 0.00 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 2sob s VAL 51 CO 0.00 0.00 1.65 -0.70 -3.33 0.00 0.00 175.10 172.72 2sob s GLU 52 N 0.65 4.19 0.02 1.54 2.12 -1.26 -4.99 118.70 120.97 2sob s GLU 52 Ca -0.02 2.25 0.06 0.00 0.36 0.00 0.00 54.97 57.63 2sob s GLU 52 Cb -0.05 -3.80 -0.02 0.00 0.26 0.00 0.00 34.13 30.52 2sob s GLU 52 CO -0.04 -0.78 -0.19 0.15 -0.54 0.00 0.00 175.26 173.86 2sob s LYS 53 N 3.34 1.37 0.19 4.30 -0.14 -1.26 -5.03 119.74 122.51 2sob s LYS 53 Ca 0.74 -0.79 0.00 0.00 -1.36 0.00 0.00 55.97 54.56 2sob s LYS 53 Cb -0.36 -1.40 0.00 0.00 -1.68 0.00 0.00 37.83 34.39 2sob s LYS 53 CO 0.31 0.37 0.00 0.66 -0.76 0.00 0.00 175.35 175.93 2sob n TYR 54 N 2.21 -1.49 -4.64 3.18 4.01 -1.26 -5.09 117.16 114.08 2sob n TYR 54 Ca -0.16 0.26 -0.25 0.00 -0.16 0.00 0.00 57.90 57.59 2sob n TYR 54 Cb 0.54 0.41 -0.16 0.00 -0.31 0.00 0.00 39.34 39.81 2sob n TYR 54 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2sob s GLY 55 N -4.77 0.81 0.00 2.72 0.00 -1.26 -4.51 107.32 100.31 2sob s GLY 55 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.23 2sob s GLY 55 CO 0.00 -0.05 0.00 -1.55 0.00 0.00 0.00 173.10 171.50 2sob n PRO 56 N 3.56 1.25 -0.01 2.90 -0.04 -1.26 -4.92 135.00 136.48 2sob n PRO 56 Ca -0.21 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.23 2sob n PRO 56 Cb 0.52 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 2sob n PRO 56 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2sob n GLU 57 N 0.00 0.10 0.11 0.54 0.28 -1.26 -4.23 120.64 116.18 2sob n GLU 57 Ca 0.00 0.04 -0.23 0.00 -0.16 0.00 0.00 57.16 56.81 2sob n GLU 57 Cb 0.00 -0.52 -0.15 0.00 1.43 0.00 0.00 31.44 32.19 2sob n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2sob h ALA 58 N -0.72 -0.13 0.00 -1.84 0.00 -1.99 -3.26 119.26 111.32 2sob h ALA 58 Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 54.91 54.04 2sob h ALA 58 Cb 0.19 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2sob h ALA 58 CO 0.00 0.59 -0.28 1.03 0.00 0.00 0.00 179.25 180.59 2sob h SER 59 N -0.05 0.00 -0.88 0.00 0.87 -1.98 -2.93 113.55 108.59 2sob h SER 59 Ca -0.22 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.38 2sob h SER 59 Cb 1.98 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.88 2sob h SER 59 CO 0.23 0.28 0.56 0.00 -0.53 0.00 0.00 176.83 177.37 2sob h ALA 60 N 1.72 1.18 -0.57 6.23 0.00 -1.73 0.60 119.26 126.69 2sob h ALA 60 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2sob h ALA 60 Cb 0.68 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2sob h ALA 60 CO 0.04 0.38 0.17 0.74 0.00 0.00 0.00 179.25 180.57 2sob h PHE 61 N 1.07 0.93 -0.52 0.00 0.04 -1.62 -2.16 116.94 114.67 2sob h PHE 61 Ca 0.36 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 61.01 2sob h PHE 61 Cb 0.06 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 2sob h PHE 61 CO -0.02 0.79 0.22 1.15 -0.60 0.00 0.00 178.31 179.85 2sob h THR 62 N 0.80 1.19 0.00 -1.55 2.02 -1.33 -1.30 112.91 112.74 2sob h THR 62 Ca 0.18 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2sob h THR 62 Cb 0.30 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2sob h THR 62 CO -0.00 0.23 0.00 0.50 0.37 0.00 0.00 175.52 176.61 2sob h LYS 63 N 0.74 0.00 0.00 6.66 3.64 -0.26 -2.21 116.57 125.15 2sob h LYS 63 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2sob h LYS 63 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2sob h LYS 63 CO -0.02 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.79 2sob n LYS 64 N -2.64 0.14 0.06 1.90 4.01 -0.49 -2.49 118.16 118.65 2sob n LYS 64 Ca -0.00 0.42 0.04 0.00 -0.51 0.00 0.00 58.31 58.26 2sob n LYS 64 Cb 0.17 -1.79 0.23 0.00 -0.51 0.00 0.00 35.03 33.13 2sob n LYS 64 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2sob n MET 65 N -2.06 0.05 -0.00 1.97 0.00 -0.83 -1.51 117.12 114.75 2sob n MET 65 Ca 0.02 0.55 0.00 0.00 0.00 0.00 0.00 57.70 58.27 2sob n MET 65 Cb 0.18 -1.69 -0.00 0.00 0.00 0.00 0.00 33.22 31.71 2sob n MET 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2sob n LEU 66 N -1.79 0.02 -0.00 3.17 4.32 -1.04 -4.01 117.00 117.66 2sob n LEU 66 Ca -0.01 -0.48 0.13 0.00 -0.02 0.00 0.00 56.01 55.64 2sob n LEU 66 Cb 0.02 0.00 0.47 0.00 -1.62 0.00 0.00 43.42 42.29 2sob n LEU 66 CO 0.04 0.00 0.75 -1.84 -1.22 0.00 0.00 177.39 175.12 2sob n GLU 67 N -1.03 0.02 0.00 3.23 0.28 -0.57 -4.37 120.64 118.20 2sob n GLU 67 Ca 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2sob n GLU 67 Cb 0.01 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.38 2sob n GLU 67 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2sob n ASN 68 N -1.48 0.00 -4.67 -1.84 2.04 -1.20 -5.10 115.26 103.00 2sob n ASN 68 Ca 0.07 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.78 2sob n ASN 68 Cb 0.34 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.56 2sob n ASN 68 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2sob s ALA 69 N -0.42 3.62 -0.16 -2.53 0.00 -1.26 -4.92 121.76 116.10 2sob s ALA 69 Ca 0.00 0.81 -0.20 0.00 0.00 0.00 0.00 51.96 52.57 2sob s ALA 69 Cb 0.00 -3.66 -0.18 0.00 0.00 0.00 0.00 23.12 19.28 2sob s ALA 69 CO 0.00 -1.17 0.35 0.87 0.00 0.00 0.00 175.76 175.81 2sob h LYS 70 N 8.60 0.00 -6.66 0.00 1.57 -1.95 -3.37 116.57 114.75 2sob h LYS 70 Ca -0.36 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.92 2sob h LYS 70 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2sob h LYS 70 CO 0.94 0.76 0.39 0.21 -0.57 0.00 0.00 179.45 181.18 2sob s LYS 71 N -2.20 4.73 -0.27 3.15 2.47 -1.26 -3.60 119.74 122.75 2sob s LYS 71 Ca -0.20 1.54 -0.01 0.00 -1.56 0.00 0.00 55.97 55.74 2sob s LYS 71 Cb 0.01 -3.31 0.13 0.00 -1.46 0.00 0.00 37.83 33.21 2sob s LYS 71 CO 0.51 0.29 0.31 0.42 0.16 0.00 0.00 175.35 177.04 2sob s ILE 72 N -0.52 -0.46 -1.51 5.43 1.01 -1.26 -4.14 121.20 119.76 2sob s ILE 72 Ca 0.45 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 2sob s ILE 72 Cb -0.26 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2sob s ILE 72 CO 0.32 -0.35 2.46 -0.62 0.00 0.00 0.00 174.94 176.75 2sob n GLU 73 N 5.33 3.16 -1.70 2.79 1.02 0.21 0.63 120.64 132.08 2sob n GLU 73 Ca -0.02 -2.50 -0.59 0.00 -0.02 0.00 0.00 57.16 54.02 2sob n GLU 73 Cb 0.48 -3.12 -0.08 0.00 -0.02 0.00 0.00 31.44 28.70 2sob n GLU 73 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2sob n VAL 74 N 4.54 0.19 -3.04 2.62 0.24 -0.20 -3.56 118.33 119.13 2sob n VAL 74 Ca 0.60 -0.03 -0.45 0.00 -2.04 0.00 0.00 64.34 62.42 2sob n VAL 74 Cb 0.34 -0.97 -0.02 0.00 -1.47 0.00 0.00 33.84 31.72 2sob n VAL 74 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2sob s GLU 75 N 2.90 3.66 -0.50 7.34 2.12 -0.20 -2.27 118.70 131.74 2sob s GLU 75 Ca 0.98 -2.04 0.02 0.00 0.36 0.00 0.00 54.97 54.29 2sob s GLU 75 Cb -1.15 -4.80 0.49 0.00 0.26 0.00 0.00 34.13 28.92 2sob s GLU 75 CO 0.66 -1.64 1.74 1.97 -0.54 0.00 0.00 175.26 177.46 2sob n PHE 76 N 5.73 2.84 -1.04 5.30 1.16 -1.26 -1.73 117.46 128.46 2sob n PHE 76 Ca 0.22 -2.52 0.00 0.00 -1.87 0.00 0.00 57.45 53.28 2sob n PHE 76 Cb 0.48 -1.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.35 2sob n PHE 76 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 2sob n ASP 77 N -0.92 -1.17 -4.56 5.98 5.68 -1.25 -4.11 116.55 116.20 2sob n ASP 77 Ca 0.54 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 54.44 2sob n ASP 77 Cb 0.90 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.86 2sob n ASP 77 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2sob s LYS 78 N 0.00 2.85 0.00 0.11 -2.85 -1.26 -4.42 119.74 114.17 2sob s LYS 78 Ca 0.00 0.71 0.00 0.00 -1.00 0.00 0.00 55.97 55.68 2sob s LYS 78 Cb 0.00 -4.31 0.00 0.00 -2.06 0.00 0.00 37.83 31.46 2sob s LYS 78 CO 0.00 -2.46 0.00 0.41 0.10 0.00 0.00 175.35 173.40 2sob n GLY 79 N 5.58 -1.77 0.41 0.59 0.00 -1.26 -4.36 105.19 104.39 2sob n GLY 79 Ca 0.19 -1.53 0.22 0.00 0.00 0.00 0.00 46.02 44.90 2sob n GLY 79 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2sob h GLN 80 N 0.00 0.19 0.00 1.61 4.20 -1.85 -3.46 115.11 115.80 2sob h GLN 80 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2sob h GLN 80 Cb 0.00 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2sob h GLN 80 CO 0.00 0.13 0.00 -2.13 -0.67 0.00 0.00 178.83 176.16 2sob n ARG 81 N -4.40 0.00 0.00 1.46 3.00 -1.26 -4.06 116.66 111.40 2sob n ARG 81 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 2sob n ARG 81 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.19 2sob n ARG 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2sob n THR 82 N 0.00 0.00 -0.20 5.15 -2.24 -1.26 -4.99 114.28 110.74 2sob n THR 82 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2sob n THR 82 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2sob n THR 82 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2sob n ASP 83 N 0.00 0.00 -0.07 3.42 -0.08 -0.41 -4.71 116.55 114.70 2sob n ASP 83 Ca 0.00 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.23 2sob n ASP 83 Cb 0.00 -0.66 -0.16 0.00 2.34 0.00 0.00 41.12 42.64 2sob n ASP 83 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2sob n LYS 84 N -2.00 0.68 0.00 -0.67 4.76 -1.26 -4.70 118.16 114.97 2sob n LYS 84 Ca 0.00 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2sob n LYS 84 Cb 0.00 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 2sob n LYS 84 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 2sob n TYR 85 N -2.65 0.00 0.24 2.13 9.36 -1.26 -4.87 117.16 120.11 2sob n TYR 85 Ca -0.25 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.03 2sob n TYR 85 Cb 1.01 0.00 0.31 0.00 -0.63 0.00 0.00 39.34 40.04 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 -1.29 -0.86 7.00 2.98 0.00 -1.26 -4.95 105.19 106.81 2sob n GLY 86 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2sob n GLY 86 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2sob n ARG 87 N -1.83 0.00 -3.05 1.61 0.63 -1.26 -3.90 116.66 108.86 2sob n ARG 87 Ca 0.01 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.50 2sob n ARG 87 Cb 0.09 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.01 2sob n ARG 87 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2sob n VAL 88 N 0.00 4.41 -1.80 5.15 0.31 -1.18 -1.29 118.33 123.93 2sob n VAL 88 Ca 0.00 -4.98 -0.27 0.00 -0.01 0.00 0.00 64.34 59.08 2sob n VAL 88 Cb 0.00 -2.49 -0.05 0.00 -0.91 0.00 0.00 33.84 30.39 2sob n VAL 88 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2sob s LEU 89 N 0.34 3.14 -0.23 7.52 1.43 -1.25 -0.82 118.68 128.81 2sob s LEU 89 Ca 0.38 0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 53.33 2sob s LEU 89 Cb -0.04 -2.54 0.07 0.00 0.03 0.00 0.00 46.19 43.71 2sob s LEU 89 CO -0.02 -3.06 0.72 0.00 0.23 0.00 0.00 176.35 174.22 2sob s ALA 90 N 11.80 -1.78 0.57 4.21 0.00 -1.26 -4.50 121.76 130.80 2sob s ALA 90 Ca 0.82 1.90 -0.03 0.00 0.00 0.00 0.00 51.96 54.66 2sob s ALA 90 Cb -0.12 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.05 2sob s ALA 90 CO 0.12 -0.34 0.84 0.71 0.00 0.00 0.00 175.76 177.08 2sob s TYR 91 N 0.10 3.06 -0.20 0.00 1.51 -0.70 -2.84 117.35 118.28 2sob s TYR 91 Ca -0.02 0.33 -0.06 0.00 -1.01 0.00 0.00 57.07 56.31 2sob s TYR 91 Cb -0.04 -2.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 2sob s TYR 91 CO 0.02 -0.87 0.02 0.42 -1.11 0.00 0.00 175.55 174.03 2sob s ILE 92 N -2.89 4.14 -0.43 2.71 -1.09 -1.26 -1.04 121.20 121.34 2sob s ILE 92 Ca 0.55 -0.25 0.04 0.00 -2.23 0.00 0.00 60.65 58.76 2sob s ILE 92 Cb -0.10 -2.88 0.12 0.00 -1.58 0.00 0.00 42.46 38.02 2sob s ILE 92 CO 0.42 0.42 0.16 -0.31 -1.23 0.00 0.00 174.94 174.40 2sob s TYR 93 N 0.95 3.29 0.00 3.97 1.51 -1.25 -2.96 117.35 122.85 2sob s TYR 93 Ca 0.02 -2.99 0.00 0.00 -1.01 0.00 0.00 57.07 53.09 2sob s TYR 93 Cb -0.14 -2.75 0.00 0.00 -0.11 0.00 0.00 41.96 38.95 2sob s TYR 93 CO 0.02 -0.84 0.00 0.00 -1.11 0.00 0.00 175.55 173.62 2sob n ALA 94 N 3.72 0.00 -0.39 3.71 0.00 -1.26 0.66 120.51 126.95 2sob n ALA 94 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 2sob n ALA 94 Cb 0.37 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.83 2sob n ALA 94 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2sob n ASP 95 N 0.00 -0.73 -1.64 0.00 2.03 -1.26 -3.63 116.55 111.32 2sob n ASP 95 Ca 0.00 1.74 -0.01 0.00 0.52 0.00 0.00 54.79 57.04 2sob n ASP 95 Cb 0.00 -0.36 0.01 0.00 -0.72 0.00 0.00 41.12 40.05 2sob n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2sob n GLY 96 N -1.42 1.06 0.00 0.27 0.00 -1.26 -5.01 105.19 98.82 2sob n GLY 96 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.03 0.00 -1.60 1.61 3.00 -1.24 -4.64 118.16 115.26 2sob n LYS 97 Ca -0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.06 2sob n LYS 97 Cb 0.93 -0.09 -0.07 0.00 0.00 0.00 0.00 35.03 35.80 2sob n LYS 97 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2sob n MET 98 N -0.06 -1.44 -1.82 1.64 2.81 -1.16 0.35 117.12 117.45 2sob n MET 98 Ca 0.00 0.99 -0.16 0.00 -1.81 0.00 0.00 57.70 56.72 2sob n MET 98 Cb 0.00 -5.35 -0.05 0.00 -0.71 0.00 0.00 33.22 27.12 2sob n MET 98 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 2sob n VAL 99 N -2.31 -0.28 0.16 2.03 3.14 -1.26 -4.82 118.33 114.99 2sob n VAL 99 Ca -0.18 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.27 2sob n VAL 99 Cb 0.57 -1.79 0.55 0.00 -1.06 0.00 0.00 33.84 32.11 2sob n VAL 99 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 2sob h ASN 100 N 0.00 0.17 -0.99 6.55 -1.24 -0.37 -2.49 115.58 117.22 2sob h ASN 100 Ca -0.34 -0.01 0.16 0.00 0.71 0.00 0.00 56.30 56.82 2sob h ASN 100 Cb 1.13 -0.04 -0.10 0.00 0.73 0.00 0.00 38.32 40.04 2sob h ASN 100 CO 0.46 0.14 0.60 -0.08 -1.29 0.00 0.00 177.43 177.27 2sob h GLU 101 N 0.20 0.82 -6.19 6.67 4.57 -1.88 -3.33 114.58 115.45 2sob h GLU 101 Ca 0.05 -0.05 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 2sob h GLU 101 Cb 0.01 -0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 28.34 2sob h GLU 101 CO -0.01 0.54 1.18 0.00 -1.18 0.00 0.00 179.01 179.54 2sob s ALA 102 N -5.91 2.54 -2.16 2.92 0.00 -0.94 -5.04 121.76 113.17 2sob s ALA 102 Ca -0.12 -1.39 0.17 0.00 0.00 0.00 0.00 51.96 50.63 2sob s ALA 102 Cb 0.24 -4.34 0.14 0.00 0.00 0.00 0.00 23.12 19.15 2sob s ALA 102 CO 0.80 -3.59 1.05 -0.11 0.00 0.00 0.00 175.76 173.91