#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9j s PRO 2 N 0.00 3.40 0.00 0.00 0.04 -1.26 -3.96 135.00 133.22 1e9j s PRO 2 Ca 0.00 -1.33 0.00 0.00 0.04 0.00 0.00 61.00 59.71 1e9j s PRO 2 Cb 0.00 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.18 1e9j s PRO 2 CO 0.00 -2.70 0.00 -3.47 0.04 0.00 0.00 177.00 170.87 1e9j n ASP 3 N 10.39 0.00 -1.07 6.66 2.03 -1.26 -5.06 116.55 128.24 1e9j n ASP 3 Ca 0.42 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.84 1e9j n ASP 3 Cb 0.48 0.19 -0.05 0.00 -0.72 0.00 0.00 41.12 41.02 1e9j n ASP 3 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1e9j n VAL 4 N -1.87 -0.19 -1.08 5.18 0.24 -1.25 -4.89 118.33 114.46 1e9j n VAL 4 Ca 0.00 0.39 0.14 0.00 -2.04 0.00 0.00 64.34 62.82 1e9j n VAL 4 Cb 0.00 -0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 31.63 1e9j n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1e9j n GLN 5 N -3.53 -2.42 -0.30 7.34 3.00 -1.26 -4.45 117.38 115.76 1e9j n GLN 5 Ca -0.03 1.88 0.07 0.00 -0.01 0.00 0.00 57.00 58.91 1e9j n GLN 5 Cb 0.55 -2.86 0.22 0.00 0.00 0.00 0.00 30.24 28.15 1e9j n GLN 5 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1e9j n ASP 6 N -3.82 2.81 -3.27 1.08 5.75 -1.26 -4.42 116.55 113.42 1e9j n ASP 6 Ca -0.05 -2.11 -0.27 0.00 -0.01 0.00 0.00 54.79 52.35 1e9j n ASP 6 Cb 0.51 -0.37 -0.06 0.00 -1.03 0.00 0.00 41.12 40.17 1e9j n ASP 6 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1e9j s PRO 8 N -2.86 1.62 -0.04 0.00 0.04 -1.26 -4.65 135.00 127.84 1e9j s PRO 8 Ca 0.43 0.62 -0.37 0.00 0.04 0.00 0.00 61.00 61.71 1e9j s PRO 8 Cb 0.19 -1.87 -0.16 0.00 0.04 0.00 0.00 34.50 32.71 1e9j s PRO 8 CO -0.05 -1.94 1.56 -1.91 0.04 0.00 0.00 177.00 174.69 1e9j n GLU 9 N -3.65 1.38 -1.66 4.56 2.13 -1.26 0.32 120.64 122.46 1e9j n GLU 9 Ca 0.07 0.50 -0.42 0.00 0.66 0.00 0.00 57.16 57.97 1e9j n GLU 9 Cb 0.57 -2.19 -0.03 0.00 0.27 0.00 0.00 31.44 30.05 1e9j n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1e9j n THR 11 N 5.56 0.00 -2.46 0.00 5.66 -1.05 -4.75 114.28 117.24 1e9j n THR 11 Ca 0.20 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.79 1e9j n THR 11 Cb 0.41 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.15 1e9j n THR 11 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1e9j s LEU 12 N 0.00 4.49 -0.57 1.09 1.02 -1.26 0.51 118.68 123.95 1e9j s LEU 12 Ca 0.00 2.17 0.06 0.00 0.02 0.00 0.00 54.13 56.37 1e9j s LEU 12 Cb 0.00 -3.61 0.34 0.00 0.02 0.00 0.00 46.19 42.94 1e9j s LEU 12 CO 0.00 -0.26 0.92 0.00 0.02 0.00 0.00 176.35 177.04 1e9j n GLN 13 N 2.20 3.05 0.00 1.70 6.02 -0.82 -4.74 117.38 124.79 1e9j n GLN 13 Ca 0.03 -4.75 0.00 0.00 -0.01 0.00 0.00 57.00 52.26 1e9j n GLN 13 Cb 0.45 -2.20 0.00 0.00 1.02 0.00 0.00 30.24 29.51 1e9j n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1e9j n GLU 14 N -0.15 0.00 -1.55 -1.09 2.13 -1.25 -4.42 120.64 114.31 1e9j n GLU 14 Ca 0.31 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.75 1e9j n GLU 14 Cb 0.41 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.08 1e9j n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1e9j n ASN 15 N 0.00 2.38 -0.08 4.31 2.85 0.91 -4.73 115.26 120.90 1e9j n ASN 15 Ca 0.00 -0.38 0.00 0.00 -0.11 0.00 0.00 54.58 54.09 1e9j n ASN 15 Cb 0.00 -1.56 0.00 0.00 1.24 0.00 0.00 39.78 39.46 1e9j n ASN 15 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1e9j n PRO 16 N 8.95 0.77 -0.05 1.20 -0.02 -1.26 -1.76 135.00 142.83 1e9j n PRO 16 Ca 0.37 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.77 1e9j n PRO 16 Cb 0.51 -1.06 -0.03 0.00 -0.02 0.00 0.00 33.50 32.90 1e9j n PRO 16 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1e9j n PHE 17 N -0.40 0.00 1.81 6.00 7.35 -1.26 -4.62 117.46 126.34 1e9j n PHE 17 Ca 0.00 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.84 1e9j n PHE 17 Cb 0.03 -0.39 0.81 0.00 0.35 0.00 0.00 39.48 40.29 1e9j n PHE 17 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1e9j n PHE 18 N -4.10 0.00 -1.52 -5.13 3.72 -1.19 -4.85 117.46 104.39 1e9j n PHE 18 Ca -0.14 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.81 1e9j n PHE 18 Cb 0.41 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.87 1e9j n PHE 18 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1e9j n SER 19 N -0.73 2.58 -3.56 4.37 3.41 -0.72 -4.45 113.62 114.51 1e9j n SER 19 Ca 0.22 0.22 -0.13 0.00 -0.26 0.00 0.00 58.87 58.91 1e9j n SER 19 Cb 0.19 -1.41 0.01 0.00 -0.26 0.00 0.00 64.21 62.74 1e9j n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1e9j n GLN 20 N 8.54 0.99 -0.92 4.33 6.02 0.37 -4.93 117.38 131.77 1e9j n GLN 20 Ca 0.37 -1.83 -0.26 0.00 -0.01 0.00 0.00 57.00 55.26 1e9j n GLN 20 Cb 0.35 0.12 -0.03 0.00 1.02 0.00 0.00 30.24 31.70 1e9j n GLN 20 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1e9j n PRO 21 N -1.32 2.55 0.00 -1.09 -0.02 -1.26 -2.86 135.00 131.00 1e9j n PRO 21 Ca 0.01 -1.62 0.00 0.00 -2.02 0.00 0.00 63.50 59.87 1e9j n PRO 21 Cb 0.34 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1e9j n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1e9j n GLY 22 N 3.58 -0.89 2.74 -1.23 0.00 -1.26 -5.11 105.19 103.02 1e9j n GLY 22 Ca 0.54 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.38 1e9j n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9j s ALA 23 N -0.06 -0.31 -1.00 4.61 0.00 -1.13 -5.07 121.76 118.79 1e9j s ALA 23 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1e9j s ALA 23 Cb 0.00 -1.57 0.26 0.00 0.00 0.00 0.00 23.12 21.82 1e9j s ALA 23 CO 0.00 -1.49 1.06 -0.35 0.00 0.00 0.00 175.76 174.98 1e9j n PRO 24 N 5.31 3.38 -0.39 0.00 -0.04 -1.26 0.14 135.00 142.14 1e9j n PRO 24 Ca -0.04 -4.51 0.00 0.00 -0.04 0.00 0.00 63.50 58.91 1e9j n PRO 24 Cb 0.47 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1e9j n PRO 24 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1e9j n ILE 25 N 2.06 0.00 -2.59 0.52 2.08 -1.26 -4.13 119.36 116.05 1e9j n ILE 25 Ca 0.24 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.55 1e9j n ILE 25 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.26 1e9j n ILE 25 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1e9j n LEU 26 N 0.00 0.00 0.00 1.39 4.77 -1.26 0.31 117.00 122.21 1e9j n LEU 26 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1e9j n LEU 26 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1e9j n LEU 26 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.73 1e9j n GLN 27 N 0.00 0.00 -1.50 3.23 7.27 -1.26 -4.18 117.38 120.94 1e9j n GLN 27 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 1e9j n GLN 27 Cb 0.00 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.56 1e9j n GLN 27 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1e9j s MET 29 N 8.02 1.52 0.00 0.00 1.75 1.92 -4.75 119.30 127.77 1e9j s MET 29 Ca 1.16 -0.64 0.00 0.00 -1.25 0.00 0.00 55.69 54.96 1e9j s MET 29 Cb -0.79 -1.45 0.00 0.00 2.84 0.00 0.00 34.83 35.44 1e9j s MET 29 CO 0.41 0.37 0.00 0.41 -0.65 0.00 0.00 175.02 175.56 1e9j n GLY 30 N 2.71 0.12 0.00 2.11 0.00 -1.26 -2.52 105.19 106.35 1e9j n GLY 30 Ca -0.15 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1e9j n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9j n PHE 33 N 4.32 -1.89 -2.66 0.00 3.72 -1.26 -4.65 117.46 115.05 1e9j n PHE 33 Ca 0.33 0.29 -0.04 0.00 -0.05 0.00 0.00 57.45 57.98 1e9j n PHE 33 Cb -0.06 -1.38 -0.04 0.00 -0.94 0.00 0.00 39.48 37.07 1e9j n PHE 33 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1e9j n SER 34 N 0.67 -2.34 0.00 4.37 2.88 -1.26 -5.01 113.62 112.93 1e9j n SER 34 Ca 0.03 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 1e9j n SER 34 Cb 0.24 -5.09 0.00 0.00 -0.75 0.00 0.00 64.21 58.61 1e9j n SER 34 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1e9j n ARG 35 N 1.54 0.00 0.00 -1.46 0.63 -1.26 -5.02 116.66 111.09 1e9j n ARG 35 Ca -0.32 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.61 1e9j n ARG 35 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 1e9j n ARG 35 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1e9j n ALA 36 N 0.00 0.00 -0.25 5.13 0.00 -1.26 -4.62 120.51 119.50 1e9j n ALA 36 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1e9j n ALA 36 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1e9j n ALA 36 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1e9j n TYR 37 N -0.21 0.01 0.00 0.00 9.36 -1.26 -4.81 117.16 120.25 1e9j n TYR 37 Ca 0.00 0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1e9j n TYR 37 Cb 0.00 -0.13 0.00 0.00 -0.63 0.00 0.00 39.34 38.58 1e9j n TYR 37 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1e9j n PRO 38 N 1.00 1.01 -4.13 2.98 -0.02 -1.26 -5.01 135.00 129.57 1e9j n PRO 38 Ca 0.12 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.32 1e9j n PRO 38 Cb 0.02 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.43 1e9j n PRO 38 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1e9j s THR 39 N -0.22 4.10 0.00 3.45 -1.32 -1.26 -5.08 115.64 115.31 1e9j s THR 39 Ca 0.00 -1.16 0.00 0.00 -1.21 0.00 0.00 61.69 59.32 1e9j s THR 39 Cb 0.00 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 1e9j s THR 39 CO 0.00 -0.04 0.37 -0.81 -2.21 0.00 0.00 174.62 171.93 1e9j n PRO 40 N 0.01 0.00 -3.07 7.08 -0.04 -1.26 -4.94 135.00 132.78 1e9j n PRO 40 Ca -0.09 0.21 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 1e9j n PRO 40 Cb 0.54 -0.87 0.00 0.00 -0.04 0.00 0.00 33.50 33.14 1e9j n PRO 40 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1e9j n LEU 41 N -0.57 -6.72 -4.35 1.53 4.77 -1.26 -4.87 117.00 105.52 1e9j n LEU 41 Ca 0.00 -0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.44 1e9j n LEU 41 Cb 0.00 -3.31 -0.00 0.00 -2.33 0.00 0.00 43.42 37.78 1e9j n LEU 41 CO 0.00 -1.04 -0.26 -2.11 -1.33 0.00 0.00 177.39 172.65 1e9j n ARG 42 N -1.87 0.14 -1.63 3.23 1.85 -1.26 -4.59 116.66 112.53 1e9j n ARG 42 Ca -0.00 0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 1e9j n ARG 42 Cb 0.51 -1.13 0.00 0.00 -1.05 0.00 0.00 32.46 30.79 1e9j n ARG 42 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1e9j n SER 43 N 2.03 -8.32 -4.72 2.89 7.64 -1.26 -4.83 113.62 107.04 1e9j n SER 43 Ca 0.12 1.51 -0.41 0.00 1.01 0.00 0.00 58.87 61.10 1e9j n SER 43 Cb 0.38 -5.02 -0.04 0.00 -1.01 0.00 0.00 64.21 58.52 1e9j n SER 43 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1e9j s LYS 44 N -4.41 4.63 -0.44 1.43 -2.85 -1.26 -5.00 119.74 111.83 1e9j s LYS 44 Ca 0.00 1.48 0.05 0.00 -1.00 0.00 0.00 55.97 56.50 1e9j s LYS 44 Cb 0.00 -3.39 0.19 0.00 -2.06 0.00 0.00 37.83 32.57 1e9j s LYS 44 CO 0.00 0.09 0.41 1.63 0.10 0.00 0.00 175.35 177.58 1e9j n LYS 45 N 3.18 0.50 0.00 1.78 4.76 -1.26 -5.12 118.16 122.00 1e9j n LYS 45 Ca 0.04 -3.33 0.00 0.00 -2.87 0.00 0.00 58.31 52.15 1e9j n LYS 45 Cb 0.49 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1e9j n LYS 45 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1e9j n THR 46 N 2.37 0.00 -2.89 -0.18 5.66 -1.26 -4.68 114.28 113.31 1e9j n THR 46 Ca 0.27 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 61.09 1e9j n THR 46 Cb 0.48 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.34 1e9j n THR 46 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 1e9j n MET 47 N 2.66 0.43 0.00 1.09 -0.00 -1.26 -4.97 117.12 115.07 1e9j n MET 47 Ca 0.00 -2.70 0.00 0.00 -0.00 0.00 0.00 57.70 55.00 1e9j n MET 47 Cb 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 33.22 32.88 1e9j n MET 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1e9j n LEU 48 N 0.00 0.00 -1.09 3.17 7.94 -1.26 -5.04 117.00 120.71 1e9j n LEU 48 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1e9j n LEU 48 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 1e9j n LEU 48 CO 0.35 0.00 -0.21 0.52 -1.11 0.00 0.00 177.39 176.94 1e9j n VAL 49 N 0.00 -6.12 0.00 1.96 0.31 -1.26 -4.98 118.33 108.24 1e9j n VAL 49 Ca 0.00 1.43 0.00 0.00 -0.01 0.00 0.00 64.34 65.76 1e9j n VAL 49 Cb 0.00 -3.20 0.00 0.00 -0.91 0.00 0.00 33.84 29.73 1e9j n VAL 49 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1e9j n GLN 50 N 0.62 0.00 -0.27 5.55 7.27 -1.26 -4.82 117.38 124.47 1e9j n GLN 50 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.17 1e9j n GLN 50 Cb 0.00 0.00 0.26 0.00 2.41 0.00 0.00 30.24 32.91 1e9j n GLN 50 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1e9j n LYS 51 N -0.45 2.30 -3.41 3.69 4.81 -1.26 -4.48 118.16 119.36 1e9j n LYS 51 Ca 0.00 -2.01 -0.27 0.00 -0.87 0.00 0.00 58.31 55.16 1e9j n LYS 51 Cb 0.00 -1.45 -0.08 0.00 0.02 0.00 0.00 35.03 33.52 1e9j n LYS 51 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1e9j n ASN 52 N 1.15 3.72 0.00 3.14 5.15 -1.26 -5.00 115.26 122.16 1e9j n ASN 52 Ca 0.19 -3.44 0.00 0.00 -0.60 0.00 0.00 54.58 50.73 1e9j n ASN 52 Cb 0.48 -0.67 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 1e9j n ASN 52 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1e9j n VAL 53 N 0.84 -0.66 -0.52 3.44 0.31 -1.26 -4.60 118.33 115.88 1e9j n VAL 53 Ca 0.30 0.00 0.40 0.00 -0.01 0.00 0.00 64.34 65.03 1e9j n VAL 53 Cb 0.41 -0.49 0.63 0.00 -0.91 0.00 0.00 33.84 33.48 1e9j n VAL 53 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1e9j n THR 54 N 0.54 -0.05 0.00 2.52 -2.24 -1.26 -4.09 114.28 109.68 1e9j n THR 54 Ca 0.00 1.26 0.00 0.00 -2.27 0.00 0.00 64.05 63.04 1e9j n THR 54 Cb 0.00 -2.08 0.00 0.00 -2.10 0.00 0.00 70.33 66.15 1e9j n THR 54 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1e9j n SER 55 N -3.73 0.00 0.14 3.42 2.88 -1.26 -4.58 113.62 110.49 1e9j n SER 55 Ca 0.35 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1e9j n SER 55 Cb 1.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.98 1e9j n SER 55 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1e9j n GLU 56 N 0.00 0.00 -1.45 -1.46 2.13 -1.26 -4.36 120.64 114.24 1e9j n GLU 56 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 1e9j n GLU 56 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 1e9j n GLU 56 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1e9j n SER 57 N -3.07 -0.03 -4.29 4.31 7.64 -1.26 -5.03 113.62 111.90 1e9j n SER 57 Ca 0.00 -1.03 -0.30 0.00 1.01 0.00 0.00 58.87 58.54 1e9j n SER 57 Cb 0.00 0.05 0.21 0.00 -1.01 0.00 0.00 64.21 63.46 1e9j n SER 57 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1e9j n THR 58 N -0.01 0.00 -3.65 0.44 -2.24 -1.26 -4.78 114.28 102.78 1e9j n THR 58 Ca -0.00 -0.35 0.02 0.00 -2.27 0.00 0.00 64.05 61.45 1e9j n THR 58 Cb 0.01 -0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 67.44 1e9j n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j n VAL 61 N -1.92 0.00 0.00 0.00 0.31 -1.24 -4.85 118.33 110.63 1e9j n VAL 61 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1e9j n VAL 61 Cb 0.23 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1e9j n VAL 61 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1e9j n ALA 62 N 0.00 0.00 -0.05 3.52 0.00 -1.25 -4.10 120.51 118.64 1e9j n ALA 62 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1e9j n ALA 62 Cb 0.00 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.04 1e9j n ALA 62 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1e9j h LYS 63 N 0.00 0.22 -2.34 0.00 1.63 0.70 -3.40 116.57 113.39 1e9j h LYS 63 Ca 0.00 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 1e9j h LYS 63 Cb 0.00 -0.05 -0.25 0.00 -0.60 0.00 0.00 32.23 31.33 1e9j h LYS 63 CO 0.00 0.14 -0.27 -1.12 -3.45 0.00 0.00 179.45 174.75 1e9j s SER 64 N -6.22 -0.58 0.27 4.20 0.01 -0.97 -4.92 113.70 105.48 1e9j s SER 64 Ca -0.06 1.19 0.06 0.00 1.31 0.00 0.00 55.95 58.45 1e9j s SER 64 Cb 0.20 1.61 -0.02 0.00 0.21 0.00 0.00 66.02 68.01 1e9j s SER 64 CO 0.74 -0.23 0.37 -0.72 0.41 0.00 0.00 173.24 173.82 1e9j s TYR 65 N 2.58 3.31 -0.05 2.43 -0.85 -1.25 0.35 117.35 123.86 1e9j s TYR 65 Ca -0.04 -0.09 0.17 0.00 -0.52 0.00 0.00 57.07 56.59 1e9j s TYR 65 Cb -0.11 -1.68 0.33 0.00 0.38 0.00 0.00 41.96 40.87 1e9j s TYR 65 CO -0.15 0.32 1.14 -1.71 -1.52 0.00 0.00 175.55 173.63 1e9j n ASN 66 N -1.45 1.02 0.00 -0.18 2.85 0.35 -4.70 115.26 113.16 1e9j n ASN 66 Ca -0.06 -2.44 0.00 0.00 -0.11 0.00 0.00 54.58 51.97 1e9j n ASN 66 Cb 0.57 -0.33 0.00 0.00 1.24 0.00 0.00 39.78 41.26 1e9j n ASN 66 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1e9j n ARG 67 N -0.06 0.00 -2.49 1.20 0.63 -1.21 -3.92 116.66 110.83 1e9j n ARG 67 Ca 0.08 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.83 1e9j n ARG 67 Cb 0.93 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.86 1e9j n ARG 67 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1e9j n VAL 68 N 0.00 1.89 -0.21 5.15 0.24 -1.26 -4.61 118.33 119.53 1e9j n VAL 68 Ca 0.00 -4.05 -0.08 0.00 -2.04 0.00 0.00 64.34 58.17 1e9j n VAL 68 Cb 0.00 -0.40 -0.01 0.00 -1.47 0.00 0.00 33.84 31.95 1e9j n VAL 68 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1e9j n THR 69 N -0.42 0.00 -3.14 3.34 -1.04 -1.26 -4.80 114.28 106.96 1e9j n THR 69 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1e9j n THR 69 Cb 0.78 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.23 1e9j n THR 69 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1e9j n VAL 70 N 0.52 0.00 0.00 12.58 0.31 -1.18 -4.79 118.33 125.77 1e9j n VAL 70 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1e9j n VAL 70 Cb -0.01 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1e9j n VAL 70 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1e9j n MET 71 N 0.00 0.00 -2.23 5.55 2.81 -1.26 0.13 117.12 122.12 1e9j n MET 71 Ca 0.00 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.70 1e9j n MET 71 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 1e9j n MET 71 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1e9j n GLY 72 N 0.00 -0.02 2.37 3.03 0.00 -1.26 -1.57 105.19 107.74 1e9j n GLY 72 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 1e9j n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1e9j n GLY 73 N -0.94 0.34 2.68 -0.02 0.00 0.26 -4.97 105.19 102.54 1e9j n GLY 73 Ca -0.23 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 1e9j n GLY 73 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1e9j n PHE 74 N -3.52 -2.52 -3.18 1.61 3.72 0.34 -4.62 117.46 109.28 1e9j n PHE 74 Ca -0.19 -0.14 0.03 0.00 -0.05 0.00 0.00 57.45 57.11 1e9j n PHE 74 Cb 0.61 -1.17 -0.02 0.00 -0.94 0.00 0.00 39.48 37.96 1e9j n PHE 74 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1e9j s LYS 75 N -3.49 0.56 -0.05 -1.08 1.02 -1.26 -3.10 119.74 112.33 1e9j s LYS 75 Ca 0.33 1.00 0.14 0.00 0.02 0.00 0.00 55.97 57.47 1e9j s LYS 75 Cb -0.06 0.52 0.45 0.00 -0.52 0.00 0.00 37.83 38.22 1e9j s LYS 75 CO 0.28 -0.60 1.38 1.33 -0.92 0.00 0.00 175.35 176.82 1e9j n VAL 76 N 5.43 1.36 -2.68 3.17 0.24 -1.26 -4.90 118.33 119.68 1e9j n VAL 76 Ca -0.02 -1.19 -0.17 0.00 -2.04 0.00 0.00 64.34 60.93 1e9j n VAL 76 Cb 0.51 0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 33.16 1e9j n VAL 76 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1e9j n GLU 77 N 0.57 -0.90 0.00 7.34 4.07 -1.26 -1.49 120.64 128.97 1e9j n GLU 77 Ca 0.17 0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 1e9j n GLU 77 Cb 0.61 -1.86 0.00 0.00 -0.06 0.00 0.00 31.44 30.12 1e9j n GLU 77 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1e9j n ASN 78 N -0.49 0.00 -4.42 4.31 5.15 -1.25 -0.55 115.26 118.00 1e9j n ASN 78 Ca 0.05 0.00 -0.56 0.00 -0.60 0.00 0.00 54.58 53.47 1e9j n ASN 78 Cb 0.18 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.34 1e9j n ASN 78 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1e9j n HIS 79 N 0.00 1.51 0.40 1.20 8.25 -0.56 0.13 115.22 126.16 1e9j n HIS 79 Ca 0.00 0.52 0.12 0.00 -0.26 0.00 0.00 57.72 58.09 1e9j n HIS 79 Cb 0.00 -2.43 0.11 0.00 1.12 0.00 0.00 29.99 28.79 1e9j n HIS 79 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1e9j h THR 80 N 6.74 0.00 -1.75 1.59 1.35 0.58 -3.46 112.91 117.96 1e9j h THR 80 Ca -0.24 -0.68 0.12 0.00 -0.55 0.00 0.00 66.41 65.05 1e9j h THR 80 Cb 1.36 1.24 -0.20 0.00 -1.73 0.00 0.00 68.15 68.81 1e9j h THR 80 CO 1.04 0.00 0.58 0.00 -0.25 0.00 0.00 175.52 176.88 1e9j s ALA 81 N -3.24 -1.92 0.02 6.62 0.00 -0.60 -4.85 121.76 117.79 1e9j s ALA 81 Ca 0.04 1.43 0.02 0.00 0.00 0.00 0.00 51.96 53.45 1e9j s ALA 81 Cb 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1e9j s ALA 81 CO 0.75 -0.45 -0.08 0.00 0.00 0.00 0.00 175.76 175.98 1e9j s HIS 83 N -0.79 2.43 -0.71 0.00 -3.43 -1.26 -4.58 115.29 106.95 1e9j s HIS 83 Ca -0.03 -1.65 -0.17 0.00 -0.80 0.00 0.00 55.06 52.41 1e9j s HIS 83 Cb -0.06 -1.63 0.15 0.00 -1.43 0.00 0.00 32.58 29.61 1e9j s HIS 83 CO 0.00 -0.75 0.75 0.00 -2.00 0.00 0.00 174.74 172.74 1e9j n SER 85 N 5.39 0.00 -3.15 0.00 7.64 0.46 -4.40 113.62 119.55 1e9j n SER 85 Ca 0.02 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.80 1e9j n SER 85 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1e9j n SER 85 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1e9j n THR 86 N 3.25 -1.11 -2.12 0.44 5.66 -1.26 -4.50 114.28 114.63 1e9j n THR 86 Ca 0.00 -0.05 -0.34 0.00 -3.05 0.00 0.00 64.05 60.62 1e9j n THR 86 Cb 0.00 -0.98 -0.04 0.00 -1.55 0.00 0.00 70.33 67.76 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1e9j n TYR 88 N 12.74 -2.31 -3.71 0.00 4.01 -1.26 -4.93 117.16 121.71 1e9j n TYR 88 Ca 0.29 0.94 -0.38 0.00 -0.16 0.00 0.00 57.90 58.59 1e9j n TYR 88 Cb 0.49 -2.83 -0.12 0.00 -0.31 0.00 0.00 39.34 36.57 1e9j n TYR 88 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1e9j s TYR 89 N -2.75 3.19 0.90 -0.72 5.04 -1.26 -5.09 117.35 116.66 1e9j s TYR 89 Ca 0.07 -0.98 -0.13 0.00 -2.44 0.00 0.00 57.07 53.59 1e9j s TYR 89 Cb -0.01 -2.31 0.20 0.00 0.35 0.00 0.00 41.96 40.19 1e9j s TYR 89 CO 0.87 -0.60 0.46 -2.39 -1.34 0.00 0.00 175.55 172.55 1e9j n HIS 90 N 4.90 -2.62 -3.86 4.97 1.44 -1.26 -4.99 115.22 113.80 1e9j n HIS 90 Ca -0.13 -0.26 -0.33 0.00 -2.01 0.00 0.00 57.72 54.98 1e9j n HIS 90 Cb 0.47 -1.00 -0.05 0.00 0.12 0.00 0.00 29.99 29.54 1e9j n HIS 90 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1e9j s LYS 91 N -3.62 3.48 0.00 -1.40 1.02 -1.26 -5.21 119.74 112.75 1e9j s LYS 91 Ca 0.35 -0.27 0.28 0.00 0.02 0.00 0.00 55.97 56.36 1e9j s LYS 91 Cb -0.06 -3.07 1.12 0.00 -0.52 0.00 0.00 37.83 35.30 1e9j s LYS 91 CO 0.30 0.65 1.78 0.43 -0.92 0.00 0.00 175.35 177.58