#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9j n PRO 2 N 0.00 0.79 -2.50 0.00 -0.04 -1.26 -4.81 135.00 127.19 1e9j n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1e9j n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1e9j n PRO 2 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1e9j n ASP 3 N -1.01 -5.54 -0.75 3.54 8.00 -1.26 -4.99 116.55 114.54 1e9j n ASP 3 Ca 0.00 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1e9j n ASP 3 Cb 0.00 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 1e9j n ASP 3 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1e9j n VAL 4 N 1.66 0.00 -0.56 2.53 3.14 -1.26 -5.02 118.33 118.82 1e9j n VAL 4 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1e9j n VAL 4 Cb 0.19 -0.90 0.00 0.00 -1.06 0.00 0.00 33.84 32.08 1e9j n VAL 4 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1e9j n GLN 5 N -0.34 0.00 -3.31 1.45 0.00 -1.26 -5.13 117.38 108.79 1e9j n GLN 5 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 57.00 57.19 1e9j n GLN 5 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 30.24 29.76 1e9j n GLN 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1e9j n ASP 6 N -0.11 0.00 0.00 1.69 8.00 -1.26 -5.16 116.55 119.71 1e9j n ASP 6 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1e9j n ASP 6 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1e9j n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1e9j n PRO 8 N 0.00 0.92 -1.18 0.00 -0.04 -1.26 -4.99 135.00 128.45 1e9j n PRO 8 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1e9j n PRO 8 Cb 0.00 -1.35 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 1e9j n PRO 8 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1e9j n GLU 9 N 0.17 -2.31 -3.76 0.54 2.13 -1.26 -4.82 120.64 111.34 1e9j n GLU 9 Ca 0.00 1.66 -0.37 0.00 0.66 0.00 0.00 57.16 59.11 1e9j n GLU 9 Cb 0.29 -2.86 -0.06 0.00 0.27 0.00 0.00 31.44 29.08 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 2.19 0.00 -4.17 0.00 5.66 -1.26 -4.79 114.28 111.90 1e9j n THR 11 Ca -0.18 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.48 1e9j n THR 11 Cb 0.54 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.22 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 3.71 -0.83 1.09 1.02 -1.26 0.32 118.68 122.74 1e9j s LEU 12 Ca 0.00 0.11 -0.02 0.00 0.02 0.00 0.00 54.13 54.24 1e9j s LEU 12 Cb 0.00 -1.90 0.36 0.00 0.02 0.00 0.00 46.19 44.67 1e9j s LEU 12 CO 0.00 0.26 2.01 0.00 0.02 0.00 0.00 176.35 178.65 1e9j n GLN 13 N 2.92 2.76 0.00 1.70 6.02 -1.26 -4.78 117.38 124.74 1e9j n GLN 13 Ca -0.18 -3.52 0.00 0.00 -0.01 0.00 0.00 57.00 53.29 1e9j n GLN 13 Cb 0.53 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.52 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 -0.57 0.00 -1.57 -1.09 2.13 -1.25 -4.47 120.64 113.82 1e9j n GLU 14 Ca 0.54 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.95 1e9j n GLU 14 Cb 0.27 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.95 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 2.88 -0.82 4.31 2.85 0.81 -4.72 115.26 120.56 1e9j n ASN 15 Ca 0.00 -0.01 -0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1e9j n ASN 15 Cb 0.00 -1.55 0.01 0.00 1.24 0.00 0.00 39.78 39.49 1e9j n ASN 15 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1e9j n PRO 16 N 8.81 1.11 0.03 1.20 -0.04 -1.26 -2.87 135.00 141.98 1e9j n PRO 16 Ca 0.33 -0.13 -0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1e9j n PRO 16 Cb 0.46 -1.28 -0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1e9j n PRO 16 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1e9j n PHE 17 N 0.24 0.00 0.28 0.54 7.35 -1.26 -4.73 117.46 119.88 1e9j n PHE 17 Ca 0.02 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.87 1e9j n PHE 17 Cb 0.43 -0.02 0.81 0.00 0.35 0.00 0.00 39.48 41.05 1e9j n PHE 17 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1e9j h PHE 18 N -0.04 0.00 0.00 -5.13 3.04 -1.91 -3.44 116.94 109.46 1e9j h PHE 18 Ca 0.00 0.00 -0.40 0.00 3.98 0.00 0.00 57.97 61.55 1e9j h PHE 18 Cb 0.04 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.50 1e9j h PHE 18 CO -0.02 0.07 1.08 -1.13 -2.02 0.00 0.00 178.31 176.29 1e9j n SER 19 N -3.36 0.31 -4.89 0.41 3.41 -1.14 -4.74 113.62 103.62 1e9j n SER 19 Ca -0.01 0.24 -0.24 0.00 -0.26 0.00 0.00 58.87 58.60 1e9j n SER 19 Cb 0.23 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 1e9j n SER 19 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1e9j s GLN 20 N 5.34 2.35 -0.22 4.33 -0.21 0.35 -4.93 119.66 126.67 1e9j s GLN 20 Ca 0.88 -1.81 -0.01 0.00 0.02 0.00 0.00 55.36 54.44 1e9j s GLN 20 Cb -0.91 -2.23 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 1e9j s GLN 20 CO 0.37 -0.44 1.27 -2.30 -2.12 0.00 0.00 175.29 172.06 1e9j n PRO 21 N -1.68 0.52 0.00 2.91 -0.02 -1.26 -1.51 135.00 133.96 1e9j n PRO 21 Ca 0.02 -0.71 0.00 0.00 -2.02 0.00 0.00 63.50 60.78 1e9j n PRO 21 Cb 0.63 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 3.88 0.88 3.15 -1.23 0.00 -1.26 -5.12 105.19 105.49 1e9j n GLY 22 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.88 -2.93 -0.93 4.61 0.00 -0.57 -5.10 121.76 115.96 1e9j s ALA 23 Ca 0.00 1.27 -0.08 0.00 0.00 0.00 0.00 51.96 53.15 1e9j s ALA 23 Cb 0.00 -2.58 0.24 0.00 0.00 0.00 0.00 23.12 20.78 1e9j s ALA 23 CO 0.00 -1.82 0.87 -1.25 0.00 0.00 0.00 175.76 173.56 1e9j s PRO 24 N 2.88 3.65 0.36 0.00 0.04 -1.26 0.13 135.00 140.80 1e9j s PRO 24 Ca 0.16 -2.96 -0.02 0.00 0.04 0.00 0.00 61.00 58.21 1e9j s PRO 24 Cb -0.08 -4.29 0.04 0.00 0.04 0.00 0.00 34.50 30.20 1e9j s PRO 24 CO -0.23 -1.25 0.08 -0.89 0.04 0.00 0.00 177.00 174.75 1e9j n ILE 25 N 3.04 0.00 -2.40 0.56 2.08 -1.25 -4.34 119.36 117.04 1e9j n ILE 25 Ca 0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.50 1e9j n ILE 25 Cb 0.41 -0.09 0.00 0.00 -0.75 0.00 0.00 39.64 39.20 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 0.28 117.00 122.18 1e9j n LEU 26 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1e9j n LEU 26 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1e9j n LEU 26 CO 0.04 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.77 1e9j n GLN 27 N 0.00 0.00 0.00 3.23 0.00 -1.26 -4.22 117.38 115.13 1e9j n GLN 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1e9j n GLN 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1e9j n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1e9j n MET 29 N 0.00 0.00 -0.03 0.00 1.56 0.97 -4.85 117.12 114.77 1e9j n MET 29 Ca 0.00 0.14 0.00 0.00 -0.27 0.00 0.00 57.70 57.57 1e9j n MET 29 Cb 0.00 -1.11 0.00 0.00 2.15 0.00 0.00 33.22 34.26 1e9j n MET 29 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1e9j n GLY 30 N -0.63 0.53 2.69 -5.12 0.00 -1.25 -4.86 105.19 96.55 1e9j n GLY 30 Ca 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 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 0.40 1.17 -2.31 0.00 3.01 -1.26 -4.96 117.46 113.51 1e9j n PHE 33 Ca 0.06 -0.46 -0.01 0.00 1.01 0.00 0.00 57.45 58.05 1e9j n PHE 33 Cb 0.03 -0.21 -0.01 0.00 -0.01 0.00 0.00 39.48 39.29 1e9j n PHE 33 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1e9j n SER 34 N 0.82 -5.21 -2.42 4.37 3.41 -1.26 -4.54 113.62 108.79 1e9j n SER 34 Ca 0.20 0.97 -0.12 0.00 -0.26 0.00 0.00 58.87 59.66 1e9j n SER 34 Cb 0.72 -3.95 -0.12 0.00 -0.26 0.00 0.00 64.21 60.60 1e9j n SER 34 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1e9j n ARG 35 N 0.60 0.00 -1.64 4.33 0.00 -1.26 -3.57 116.66 115.12 1e9j n ARG 35 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1e9j n ARG 35 Cb 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 32.46 31.98 1e9j n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1e9j n ALA 36 N 3.13 -2.24 -1.60 5.13 0.00 -1.26 -4.73 120.51 118.94 1e9j n ALA 36 Ca 0.37 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.76 1e9j n ALA 36 Cb 0.07 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 1e9j n ALA 36 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1e9j s TYR 37 N -0.98 1.15 0.89 0.00 1.51 -1.23 -4.96 117.35 113.73 1e9j s TYR 37 Ca 0.00 0.69 -0.13 0.00 -1.01 0.00 0.00 57.07 56.62 1e9j s TYR 37 Cb 0.00 -3.88 0.13 0.00 -0.11 0.00 0.00 41.96 38.11 1e9j s TYR 37 CO 0.00 -3.87 1.18 -1.25 -1.11 0.00 0.00 175.55 170.50 1e9j s PRO 38 N 6.64 1.27 0.00 -1.71 0.04 -1.26 -5.09 135.00 134.88 1e9j s PRO 38 Ca 1.00 0.09 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1e9j s PRO 38 Cb -0.31 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1e9j s PRO 38 CO 0.34 -2.07 0.00 0.25 0.04 0.00 0.00 177.00 175.56 1e9j n THR 39 N -3.64 0.00 -0.48 1.26 -2.24 -1.26 -5.01 114.28 102.91 1e9j n THR 39 Ca 0.09 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.85 1e9j n THR 39 Cb 0.60 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 1e9j n THR 39 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1e9j n PRO 40 N -0.42 0.96 -1.35 -0.78 -0.04 -1.26 -4.89 135.00 127.22 1e9j n PRO 40 Ca 0.00 -0.17 -0.30 0.00 -0.04 0.00 0.00 63.50 63.00 1e9j n PRO 40 Cb 0.00 -1.27 0.20 0.00 -0.04 0.00 0.00 33.50 32.39 1e9j n PRO 40 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1e9j s LEU 41 N 0.00 1.46 0.26 1.53 2.96 -1.26 -4.88 118.68 118.75 1e9j s LEU 41 Ca 0.11 0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 54.70 1e9j s LEU 41 Cb 0.05 -2.64 0.59 0.00 0.50 0.00 0.00 46.19 44.69 1e9j s LEU 41 CO 0.00 -3.43 1.36 0.54 -1.32 0.00 0.00 176.35 173.50 1e9j n ARG 42 N -4.30 -0.07 0.00 1.98 3.00 -1.26 -4.69 116.66 111.32 1e9j n ARG 42 Ca 0.11 1.32 0.00 0.00 -0.01 0.00 0.00 57.85 59.27 1e9j n ARG 42 Cb 0.59 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 31.00 1e9j n ARG 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1e9j n SER 43 N -5.30 0.00 -2.66 0.55 7.64 -1.26 -4.60 113.62 107.99 1e9j n SER 43 Ca 0.18 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.04 1e9j n SER 43 Cb 0.60 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.92 1e9j n SER 43 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1e9j n LYS 44 N 13.43 0.08 0.00 1.43 2.85 -1.26 -5.16 118.16 129.54 1e9j n LYS 44 Ca 0.00 -0.62 0.00 0.00 -1.05 0.00 0.00 58.31 56.64 1e9j n LYS 44 Cb 0.00 -0.09 0.00 0.00 -0.65 0.00 0.00 35.03 34.29 1e9j n LYS 44 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1e9j n LYS 45 N 0.51 2.12 0.00 -1.58 4.76 -1.26 -5.11 118.16 117.60 1e9j n LYS 45 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 1e9j n LYS 45 Cb 0.76 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.95 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 0.00 0.00 -0.18 -0.18 5.66 -1.26 -5.16 114.28 113.16 1e9j n THR 46 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1e9j n THR 46 Cb 0.00 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 68.42 1e9j n THR 46 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1e9j n MET 47 N -2.10 -0.47 0.00 1.09 1.56 -1.26 -5.11 117.12 110.82 1e9j n MET 47 Ca 0.00 0.37 0.00 0.00 -0.27 0.00 0.00 57.70 57.80 1e9j n MET 47 Cb 0.24 -0.45 0.00 0.00 2.15 0.00 0.00 33.22 35.16 1e9j n MET 47 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 1e9j n LEU 48 N -1.51 0.00 0.00 -0.89 7.94 -1.26 -5.15 117.00 116.13 1e9j n LEU 48 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1e9j n LEU 48 Cb 0.04 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1e9j n LEU 48 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.39 177.61 1e9j n VAL 49 N -0.11 0.00 -3.44 1.96 0.24 -1.26 -4.81 118.33 110.91 1e9j n VAL 49 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.31 1e9j n VAL 49 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 1e9j n VAL 49 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1e9j s GLN 50 N 0.00 0.58 0.65 7.34 -0.21 -1.26 -5.15 119.66 121.61 1e9j s GLN 50 Ca 0.00 1.27 -0.17 0.00 0.02 0.00 0.00 55.36 56.48 1e9j s GLN 50 Cb 0.00 0.74 -0.04 0.00 1.00 0.00 0.00 33.01 34.71 1e9j s GLN 50 CO 0.00 -0.38 0.75 1.17 -2.12 0.00 0.00 175.29 174.71 1e9j n LYS 51 N 5.44 0.56 -1.61 2.91 4.81 -1.26 -4.89 118.16 124.12 1e9j n LYS 51 Ca -0.07 0.23 -0.38 0.00 -0.87 0.00 0.00 58.31 57.22 1e9j n LYS 51 Cb 0.50 -1.99 0.04 0.00 0.02 0.00 0.00 35.03 33.60 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 -0.57 0.81 -0.14 3.14 5.15 -1.26 -4.74 115.26 117.65 1e9j n ASN 52 Ca 0.12 0.85 0.02 0.00 -0.60 0.00 0.00 54.58 54.97 1e9j n ASN 52 Cb 0.49 -1.37 -0.01 0.00 -0.53 0.00 0.00 39.78 38.35 1e9j n ASN 52 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1e9j n VAL 53 N -1.45 -0.05 0.07 3.44 3.14 -1.26 -5.07 118.33 117.16 1e9j n VAL 53 Ca 0.12 0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.58 1e9j n VAL 53 Cb 0.46 -0.12 0.00 0.00 -1.06 0.00 0.00 33.84 33.12 1e9j n VAL 53 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1e9j n THR 54 N -2.42 0.00 -1.65 1.55 -2.24 -1.26 -5.13 114.28 103.14 1e9j n THR 54 Ca -0.01 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.41 1e9j n THR 54 Cb 0.06 -0.09 0.08 0.00 -2.10 0.00 0.00 70.33 68.28 1e9j n THR 54 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1e9j s SER 55 N -2.87 4.48 0.06 3.42 0.01 -1.26 -5.04 113.70 112.50 1e9j s SER 55 Ca 0.00 2.52 0.00 0.00 1.31 0.00 0.00 55.95 59.78 1e9j s SER 55 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1e9j s SER 55 CO 0.00 -2.08 -0.04 -1.61 0.41 0.00 0.00 173.24 169.91 1e9j s GLU 56 N -3.56 0.64 0.00 12.44 2.02 -1.26 -5.13 118.70 123.86 1e9j s GLU 56 Ca 0.79 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1e9j s GLU 56 Cb -0.34 0.05 0.00 0.00 0.10 0.00 0.00 34.13 33.94 1e9j s GLU 56 CO 0.41 -0.07 0.00 0.45 0.02 0.00 0.00 175.26 176.07 1e9j n SER 57 N 0.29 0.00 -0.73 -0.19 2.88 -1.26 -5.15 113.62 109.47 1e9j n SER 57 Ca -0.15 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.45 1e9j n SER 57 Cb 0.60 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.03 1e9j n SER 57 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1e9j n THR 58 N 0.00 -0.81 -3.52 2.46 -1.04 -1.26 -4.83 114.28 105.28 1e9j n THR 58 Ca 0.00 0.56 -0.00 0.00 -2.04 0.00 0.00 64.05 62.57 1e9j n THR 58 Cb 0.00 -0.88 -0.05 0.00 -1.82 0.00 0.00 70.33 67.58 1e9j n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1e9j s VAL 61 N 3.48 4.75 0.00 0.00 1.01 -0.82 -4.62 120.40 124.20 1e9j s VAL 61 Ca 1.03 -2.37 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1e9j s VAL 61 Cb -1.29 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 31.07 1e9j s VAL 61 CO 0.73 -0.92 0.00 0.00 0.00 0.00 0.00 175.10 174.92 1e9j n ALA 62 N 4.15 0.00 0.17 5.51 0.00 -1.25 -3.90 120.51 125.19 1e9j n ALA 62 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.51 1e9j n ALA 62 Cb 0.42 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.21 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 0.04 -2.17 0.00 3.64 -1.73 -3.41 116.57 112.95 1e9j h LYS 63 Ca 0.00 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 1e9j h LYS 63 Cb 0.00 -0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 31.51 1e9j h LYS 63 CO 0.00 0.41 -0.50 -1.12 -2.27 0.00 0.00 179.45 175.97 1e9j s SER 64 N -6.92 0.42 0.37 4.20 0.01 -1.26 -4.90 113.70 105.61 1e9j s SER 64 Ca -0.03 0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.49 1e9j s SER 64 Cb 0.14 0.96 -0.03 0.00 0.21 0.00 0.00 66.02 67.31 1e9j s SER 64 CO 0.73 -0.29 0.57 -0.72 0.41 0.00 0.00 173.24 173.94 1e9j s TYR 65 N 2.50 3.42 -0.08 2.43 -0.85 -1.25 0.27 117.35 123.79 1e9j s TYR 65 Ca 0.09 0.30 0.18 0.00 -0.52 0.00 0.00 57.07 57.12 1e9j s TYR 65 Cb -0.15 -2.00 0.38 0.00 0.38 0.00 0.00 41.96 40.58 1e9j s TYR 65 CO -0.14 0.00 1.17 0.09 -1.52 0.00 0.00 175.55 175.15 1e9j n ASN 66 N -1.85 1.23 0.00 -0.18 4.13 0.26 -4.74 115.26 114.11 1e9j n ASN 66 Ca -0.03 -2.70 0.00 0.00 1.68 0.00 0.00 54.58 53.53 1e9j n ASN 66 Cb 0.57 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 1e9j n ASN 66 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1e9j n ARG 67 N -0.18 0.00 -2.72 3.52 1.85 -1.21 -3.91 116.66 114.01 1e9j n ARG 67 Ca 0.10 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.90 1e9j n ARG 67 Cb 0.93 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 32.38 1e9j n ARG 67 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1e9j n VAL 68 N 0.00 1.22 0.00 8.89 0.24 -1.26 -4.61 118.33 122.81 1e9j n VAL 68 Ca 0.00 -3.09 0.00 0.00 -2.04 0.00 0.00 64.34 59.21 1e9j n VAL 68 Cb 0.00 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 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 -0.35 0.00 -3.70 3.34 -1.04 -1.19 -4.84 114.28 106.50 1e9j n THR 69 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1e9j n THR 69 Cb 0.81 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 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 0.00 0.00 0.00 12.58 0.31 0.56 -4.71 118.33 127.07 1e9j n VAL 70 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1e9j n VAL 70 Cb 0.00 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 -0.22 0.00 0.00 5.55 2.81 -1.26 0.23 117.12 124.23 1e9j n MET 71 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 1e9j n MET 71 Cb 0.00 0.00 0.34 0.00 -0.71 0.00 0.00 33.22 32.85 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 -0.39 0.00 3.03 0.00 -1.26 -4.46 105.19 102.11 1e9j n GLY 72 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.27 0.00 3.64 -0.02 0.00 0.49 -5.12 105.19 103.91 1e9j n GLY 73 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1e9j n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1e9j s PHE 74 N 0.00 2.69 -0.38 1.61 0.40 0.63 -4.64 117.98 118.29 1e9j s PHE 74 Ca 0.00 0.88 -0.13 0.00 -0.60 0.00 0.00 56.93 57.08 1e9j s PHE 74 Cb 0.00 -3.82 0.01 0.00 0.51 0.00 0.00 43.02 39.72 1e9j s PHE 74 CO 0.00 -1.78 0.26 0.15 0.70 0.00 0.00 175.22 174.56 1e9j s LYS 75 N 4.05 3.10 0.00 0.44 -0.14 -1.26 0.21 119.74 126.14 1e9j s LYS 75 Ca 0.57 -0.92 0.20 0.00 -1.36 0.00 0.00 55.97 54.46 1e9j s LYS 75 Cb -0.18 -3.87 0.58 0.00 -1.68 0.00 0.00 37.83 32.68 1e9j s LYS 75 CO 0.21 -0.64 1.48 1.33 -0.76 0.00 0.00 175.35 176.97 1e9j n VAL 76 N 5.11 0.98 -2.97 3.17 0.24 -1.26 -4.89 118.33 118.70 1e9j n VAL 76 Ca -0.12 -0.99 -0.21 0.00 -2.04 0.00 0.00 64.34 60.99 1e9j n VAL 76 Cb 0.48 0.52 -0.04 0.00 -1.47 0.00 0.00 33.84 33.33 1e9j n VAL 76 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1e9j n GLU 77 N 1.44 -0.93 -0.03 7.34 -0.58 -1.26 -1.42 120.64 125.20 1e9j n GLU 77 Ca 0.22 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1e9j n GLU 77 Cb 0.59 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.03 1e9j n GLU 77 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1e9j n ASN 78 N -0.87 0.00 -4.46 1.62 5.15 -1.25 -0.29 115.26 115.15 1e9j n ASN 78 Ca 0.06 0.00 -0.58 0.00 -0.60 0.00 0.00 54.58 53.46 1e9j n ASN 78 Cb 0.23 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.39 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 -0.01 1.54 0.03 1.20 8.25 -0.51 0.93 115.22 126.64 1e9j n HIS 79 Ca 0.00 0.64 0.09 0.00 -0.26 0.00 0.00 57.72 58.19 1e9j n HIS 79 Cb 0.00 -2.38 -0.10 0.00 1.12 0.00 0.00 29.99 28.62 1e9j n HIS 79 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1e9j n THR 80 N 6.00 0.42 -3.70 1.59 -2.24 0.75 -4.86 114.28 112.24 1e9j n THR 80 Ca 0.43 -0.56 -0.02 0.00 -2.27 0.00 0.00 64.05 61.62 1e9j n THR 80 Cb 0.06 -0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.07 1e9j n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j n ALA 81 N -2.28 -0.02 -3.64 6.98 0.00 -0.61 -4.87 120.51 116.06 1e9j n ALA 81 Ca -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.12 1e9j n ALA 81 Cb 0.63 0.18 -0.07 0.00 0.00 0.00 0.00 19.45 20.19 1e9j n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1e9j s HIS 83 N -0.01 0.29 -0.20 0.00 -3.43 -1.25 -4.54 115.29 106.15 1e9j s HIS 83 Ca 0.06 -0.10 -0.33 0.00 -0.80 0.00 0.00 55.06 53.90 1e9j s HIS 83 Cb -0.05 -0.65 -0.15 0.00 -1.43 0.00 0.00 32.58 30.30 1e9j s HIS 83 CO -0.13 -0.35 1.02 0.00 -2.00 0.00 0.00 174.74 173.28 1e9j n SER 85 N 2.12 0.00 -2.03 0.00 2.88 -0.93 -4.73 113.62 110.93 1e9j n SER 85 Ca 0.19 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.46 1e9j n SER 85 Cb 0.01 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.43 1e9j n SER 85 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1e9j n THR 86 N -0.35 0.00 -3.68 2.46 -2.24 -1.26 -2.75 114.28 106.46 1e9j n THR 86 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1e9j n THR 86 Cb 0.00 -0.09 -0.09 0.00 -2.10 0.00 0.00 70.33 68.05 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j s TYR 88 N 0.90 -0.62 0.36 0.00 5.04 -1.26 -4.84 117.35 116.92 1e9j s TYR 88 Ca -0.05 1.41 0.08 0.00 -2.44 0.00 0.00 57.07 56.07 1e9j s TYR 88 Cb -0.05 0.37 -0.03 0.00 0.35 0.00 0.00 41.96 42.60 1e9j s TYR 88 CO -0.08 -0.30 0.27 0.71 -1.34 0.00 0.00 175.55 174.81 1e9j s TYR 89 N 0.61 2.79 0.04 4.97 1.51 -1.26 -5.12 117.35 120.90 1e9j s TYR 89 Ca -0.01 -0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 55.55 1e9j s TYR 89 Cb -0.05 -1.85 -0.06 0.00 -0.11 0.00 0.00 41.96 39.89 1e9j s TYR 89 CO -0.08 0.15 0.40 -1.58 -1.11 0.00 0.00 175.55 173.34 1e9j s HIS 90 N -2.39 3.64 0.38 2.71 2.46 -1.26 -4.97 115.29 115.86 1e9j s HIS 90 Ca 0.42 0.88 0.18 0.00 0.47 0.00 0.00 55.06 57.00 1e9j s HIS 90 Cb -0.04 -2.21 1.10 0.00 -0.13 0.00 0.00 32.58 31.29 1e9j s HIS 90 CO 0.26 0.57 1.74 0.87 -2.47 0.00 0.00 174.74 175.70 1e9j h LYS 91 N 4.14 0.38 -0.01 2.88 1.79 -2.09 -3.55 116.57 120.11 1e9j h LYS 91 Ca -0.50 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 1e9j h LYS 91 Cb 1.20 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1e9j h LYS 91 CO 0.64 0.25 0.00 0.45 -1.08 0.00 0.00 179.45 179.71