#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 0.49 0.00 0.00 0.04 -1.26 -5.07 135.00 129.20 1e9j s PRO 2 Ca 0.00 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1e9j s PRO 2 Cb 0.00 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1e9j s PRO 2 CO 0.00 -2.73 0.00 -0.25 0.04 0.00 0.00 177.00 174.06 1e9j n ASP 3 N -4.19 0.00 -1.64 6.66 8.00 -1.26 -5.03 116.55 119.09 1e9j n ASP 3 Ca 0.06 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.52 1e9j n ASP 3 Cb 0.56 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.68 1e9j n ASP 3 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1e9j n VAL 4 N 0.00 0.00 -2.33 2.53 0.24 -1.26 -5.15 118.33 112.36 1e9j n VAL 4 Ca 0.00 -0.39 -0.25 0.00 -2.04 0.00 0.00 64.34 61.66 1e9j n VAL 4 Cb 0.00 0.64 0.11 0.00 -1.47 0.00 0.00 33.84 33.12 1e9j n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1e9j s GLN 5 N 0.05 1.67 -0.12 7.34 -2.07 -1.26 -5.04 119.66 120.23 1e9j s GLN 5 Ca 0.03 -0.68 0.05 0.00 -1.82 0.00 0.00 55.36 52.94 1e9j s GLN 5 Cb 0.17 -2.19 0.14 0.00 -1.09 0.00 0.00 33.01 30.05 1e9j s GLN 5 CO -0.05 -1.54 0.92 -0.25 -1.32 0.00 0.00 175.29 173.04 1e9j n ASP 6 N -3.03 -0.77 0.00 12.60 9.92 -1.26 -5.00 116.55 129.01 1e9j n ASP 6 Ca 0.12 -1.52 0.00 0.00 -0.53 0.00 0.00 54.79 52.86 1e9j n ASP 6 Cb 0.60 0.32 0.00 0.00 -0.64 0.00 0.00 41.12 41.40 1e9j n ASP 6 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1e9j n PRO 8 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -4.23 135.00 129.49 1e9j n PRO 8 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1e9j n PRO 8 Cb 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 1e9j n PRO 8 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1e9j n GLU 9 N 0.63 0.00 -3.45 -0.52 2.13 -1.19 -4.85 120.64 113.40 1e9j n GLU 9 Ca 0.09 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.53 1e9j n GLU 9 Cb 0.08 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.69 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 4.86 0.00 -4.83 0.00 5.66 -1.26 -4.72 114.28 113.99 1e9j n THR 11 Ca -0.10 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.61 1e9j n THR 11 Cb 0.51 0.00 -0.14 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 2.18 -0.60 1.09 1.02 -1.26 0.16 118.68 121.27 1e9j s LEU 12 Ca 0.00 -0.59 -0.02 0.00 0.02 0.00 0.00 54.13 53.54 1e9j s LEU 12 Cb 0.00 -1.24 0.33 0.00 0.02 0.00 0.00 46.19 45.31 1e9j s LEU 12 CO 0.00 0.24 2.12 0.00 0.02 0.00 0.00 176.35 178.73 1e9j n GLN 13 N 1.72 2.47 0.00 1.70 1.13 -1.26 -4.37 117.38 118.78 1e9j n GLN 13 Ca -0.17 -2.85 0.00 0.00 -1.94 0.00 0.00 57.00 52.04 1e9j n GLN 13 Cb 0.52 -2.12 0.00 0.00 0.11 0.00 0.00 30.24 28.75 1e9j n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1e9j n GLU 14 N -0.35 0.00 -1.59 -1.09 2.13 -1.25 -4.33 120.64 114.16 1e9j n GLU 14 Ca 0.52 0.00 -0.59 0.00 0.66 0.00 0.00 57.16 57.75 1e9j n GLU 14 Cb 0.54 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.16 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 0.01 1.76 -0.64 4.31 2.85 0.66 -4.76 115.26 119.46 1e9j n ASN 15 Ca 0.00 0.92 0.01 0.00 -0.11 0.00 0.00 54.58 55.40 1e9j n ASN 15 Cb 0.00 -1.05 0.06 0.00 1.24 0.00 0.00 39.78 40.03 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 5.95 1.56 0.03 1.20 -0.04 -1.26 -1.97 135.00 140.47 1e9j n PRO 16 Ca 0.36 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1e9j n PRO 16 Cb 0.07 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.06 -0.41 0.49 0.54 7.35 -1.26 -4.78 117.46 119.45 1e9j n PHE 17 Ca 0.04 0.07 0.13 0.00 -0.76 0.00 0.00 57.45 56.93 1e9j n PHE 17 Cb 0.35 0.22 0.44 0.00 0.35 0.00 0.00 39.48 40.84 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 0.00 0.00 -0.97 -5.13 3.04 -1.90 -3.44 116.94 108.53 1e9j h PHE 18 Ca 0.00 0.00 -0.58 0.00 3.98 0.00 0.00 57.97 61.37 1e9j h PHE 18 Cb 0.37 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.85 1e9j h PHE 18 CO 0.00 0.00 1.55 -1.13 -2.02 0.00 0.00 178.31 176.71 1e9j n SER 19 N -2.35 1.76 -4.33 0.41 3.41 -0.83 -4.41 113.62 107.27 1e9j n SER 19 Ca 0.04 0.12 -0.19 0.00 -0.26 0.00 0.00 58.87 58.58 1e9j n SER 19 Cb 0.35 -1.27 -0.10 0.00 -0.26 0.00 0.00 64.21 62.93 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 7.37 1.28 0.00 4.33 -0.21 0.37 -4.94 119.66 127.87 1e9j s GLN 20 Ca 1.13 -1.53 -0.11 0.00 0.02 0.00 0.00 55.36 54.87 1e9j s GLN 20 Cb -0.77 -1.10 -0.13 0.00 1.00 0.00 0.00 33.01 32.00 1e9j s GLN 20 CO 0.43 0.19 1.12 -2.30 -2.12 0.00 0.00 175.29 172.61 1e9j n PRO 21 N -0.21 0.00 0.00 2.91 -0.02 -1.26 0.11 135.00 136.53 1e9j n PRO 21 Ca -0.09 -0.62 0.00 0.00 -2.02 0.00 0.00 63.50 60.77 1e9j n PRO 21 Cb 0.60 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 4.23 0.39 2.75 -1.23 0.00 -1.26 -5.10 105.19 104.98 1e9j n GLY 22 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -0.41 -0.96 4.61 0.00 0.12 -5.07 121.76 120.05 1e9j s ALA 23 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 1e9j s ALA 23 Cb 0.00 -1.70 0.27 0.00 0.00 0.00 0.00 23.12 21.69 1e9j s ALA 23 CO 0.00 -1.61 1.13 -0.35 0.00 0.00 0.00 175.76 174.92 1e9j n PRO 24 N 5.31 3.54 -0.51 0.00 -0.04 -1.26 0.14 135.00 142.19 1e9j n PRO 24 Ca -0.03 -4.55 -0.04 0.00 -0.04 0.00 0.00 63.50 58.84 1e9j n PRO 24 Cb 0.47 -2.44 0.04 0.00 -0.04 0.00 0.00 33.50 31.53 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 1.63 0.00 -2.19 0.52 2.08 -1.26 -4.33 119.36 115.80 1e9j n ILE 25 Ca 0.26 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.57 1e9j n ILE 25 Cb 0.36 -0.13 0.00 0.00 -0.75 0.00 0.00 39.64 39.12 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 0.24 117.00 122.14 1e9j n LEU 26 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1e9j n LEU 26 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1e9j n LEU 26 CO 0.05 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.78 1e9j n GLN 27 N 0.00 0.00 -0.31 3.23 0.00 -1.26 -4.16 117.38 114.88 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 h MET 29 N 1.34 -0.00 -5.55 0.00 4.05 0.14 -3.39 114.93 111.51 1e9j h MET 29 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1e9j h MET 29 Cb 0.00 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 1e9j h MET 29 CO 0.00 0.88 -0.57 0.41 0.23 0.00 0.00 176.91 177.86 1e9j n GLY 30 N 1.33 -1.98 2.55 1.39 0.00 -1.22 -4.81 105.19 102.45 1e9j n GLY 30 Ca -0.10 0.60 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 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 4.48 2.86 -3.52 0.00 3.01 -1.26 -4.72 117.46 118.31 1e9j n PHE 33 Ca 0.32 -2.95 -0.27 0.00 1.01 0.00 0.00 57.45 55.55 1e9j n PHE 33 Cb -0.03 -2.29 -0.11 0.00 -0.01 0.00 0.00 39.48 37.05 1e9j n PHE 33 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1e9j s SER 34 N 1.86 2.29 0.07 4.37 1.04 -1.26 -5.11 113.70 116.97 1e9j s SER 34 Ca 0.55 -3.22 0.07 0.00 0.48 0.00 0.00 55.95 53.83 1e9j s SER 34 Cb 0.15 -0.72 -0.03 0.00 0.10 0.00 0.00 66.02 65.52 1e9j s SER 34 CO -0.06 -0.16 -0.20 -0.60 0.98 0.00 0.00 173.24 173.20 1e9j s ARG 35 N -0.26 1.18 -0.46 4.02 3.52 -1.26 -5.09 118.95 120.60 1e9j s ARG 35 Ca 0.30 -1.02 -0.21 0.00 -0.13 0.00 0.00 55.73 54.67 1e9j s ARG 35 Cb 0.01 -1.35 0.03 0.00 -1.56 0.00 0.00 34.95 32.08 1e9j s ARG 35 CO -0.18 0.33 0.69 0.00 -0.81 0.00 0.00 175.30 175.33 1e9j s ALA 36 N -0.99 3.32 0.00 6.12 0.00 -1.26 -4.92 121.76 124.03 1e9j s ALA 36 Ca 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1e9j s ALA 36 Cb -0.09 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1e9j s ALA 36 CO 0.03 -1.90 0.00 2.48 0.00 0.00 0.00 175.76 176.37 1e9j n TYR 37 N 6.44 0.00 -2.21 0.00 0.18 -1.26 -4.67 117.16 115.65 1e9j n TYR 37 Ca -0.01 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.34 1e9j n TYR 37 Cb 0.48 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.41 1e9j n TYR 37 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1e9j s PRO 38 N 0.00 4.21 0.61 -3.48 0.04 -1.26 -4.78 135.00 130.35 1e9j s PRO 38 Ca 0.00 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1e9j s PRO 38 Cb 0.00 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1e9j s PRO 38 CO 0.00 -0.77 0.00 0.25 0.04 0.00 0.00 177.00 176.52 1e9j n THR 39 N 5.39 -1.26 -1.51 1.26 -2.24 -1.26 -4.40 114.28 110.25 1e9j n THR 39 Ca 0.15 1.03 -0.25 0.00 -2.27 0.00 0.00 64.05 62.72 1e9j n THR 39 Cb 0.44 -1.59 -0.19 0.00 -2.10 0.00 0.00 70.33 66.89 1e9j n THR 39 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1e9j n PRO 40 N -4.07 0.10 0.00 -0.78 -0.02 -1.26 -4.63 135.00 124.34 1e9j n PRO 40 Ca -0.08 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1e9j n PRO 40 Cb 0.64 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 1e9j n PRO 40 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1e9j n LEU 41 N 8.43 0.00 -4.32 2.45 4.77 -1.26 -4.97 117.00 122.10 1e9j n LEU 41 Ca 0.64 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 56.16 1e9j n LEU 41 Cb 0.17 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1e9j n LEU 41 CO 0.99 0.00 0.53 -0.60 -1.33 0.00 0.00 177.39 176.98 1e9j s ARG 42 N 0.00 3.76 -0.26 3.23 3.52 -1.26 -4.95 118.95 122.99 1e9j s ARG 42 Ca 0.00 -2.75 -0.02 0.00 -0.13 0.00 0.00 55.73 52.84 1e9j s ARG 42 Cb 0.00 -4.43 0.12 0.00 -1.56 0.00 0.00 34.95 29.08 1e9j s ARG 42 CO 0.00 -1.27 0.29 0.45 -0.81 0.00 0.00 175.30 173.96 1e9j s SER 43 N 1.75 1.31 -0.05 -2.12 0.15 -1.26 -5.02 113.70 108.47 1e9j s SER 43 Ca 0.22 -0.44 -0.23 0.00 0.70 0.00 0.00 55.95 56.21 1e9j s SER 43 Cb -0.10 0.59 -0.18 0.00 -1.71 0.00 0.00 66.02 64.62 1e9j s SER 43 CO -0.09 -0.36 0.97 0.11 1.20 0.00 0.00 173.24 175.08 1e9j h LYS 44 N 8.26 -0.15 -4.82 5.44 6.56 -2.05 -3.48 116.57 126.34 1e9j h LYS 44 Ca -0.15 0.01 -0.36 0.00 -1.06 0.00 0.00 60.65 59.09 1e9j h LYS 44 Cb 1.11 0.03 -0.14 0.00 -0.57 0.00 0.00 32.23 32.66 1e9j h LYS 44 CO 0.31 0.34 -0.58 0.21 -2.06 0.00 0.00 179.45 177.66 1e9j s LYS 45 N -3.56 1.46 -0.01 3.15 2.20 -1.26 -5.17 119.74 116.55 1e9j s LYS 45 Ca -0.14 -1.81 0.06 0.00 -0.36 0.00 0.00 55.97 53.72 1e9j s LYS 45 Cb 0.00 -0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.27 1e9j s LYS 45 CO 0.54 -0.40 -0.19 -0.08 -0.36 0.00 0.00 175.35 174.86 1e9j s THR 46 N -3.77 1.46 0.00 3.43 -1.32 -1.26 -4.98 115.64 109.21 1e9j s THR 46 Ca 0.37 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 60.05 1e9j s THR 46 Cb 0.06 -1.22 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1e9j s THR 46 CO 0.16 0.40 0.00 0.80 -2.21 0.00 0.00 174.62 173.77 1e9j n MET 47 N 2.59 0.00 -3.15 7.08 1.56 -1.26 -5.09 117.12 118.85 1e9j n MET 47 Ca -0.15 0.00 0.05 0.00 -0.27 0.00 0.00 57.70 57.33 1e9j n MET 47 Cb 0.54 -0.22 -0.01 0.00 2.15 0.00 0.00 33.22 35.68 1e9j n MET 47 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1e9j s LEU 48 N -2.88 -0.91 0.00 -0.89 1.43 -1.26 -5.17 118.68 109.00 1e9j s LEU 48 Ca 0.00 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1e9j s LEU 48 Cb 0.00 1.64 0.00 0.00 0.03 0.00 0.00 46.19 47.86 1e9j s LEU 48 CO 0.00 -0.17 0.00 1.33 0.23 0.00 0.00 176.35 177.74 1e9j n VAL 49 N 5.32 0.00 -1.11 -1.59 0.24 -1.26 -5.15 118.33 114.78 1e9j n VAL 49 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1e9j n VAL 49 Cb 0.55 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 1e9j n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1e9j n GLN 50 N 0.00 -3.13 -1.22 7.34 3.00 -1.26 -5.00 117.38 117.11 1e9j n GLN 50 Ca 0.00 2.36 0.16 0.00 -0.01 0.00 0.00 57.00 59.50 1e9j n GLN 50 Cb 0.00 -2.72 -0.06 0.00 0.00 0.00 0.00 30.24 27.46 1e9j n GLN 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1e9j n LYS 51 N -1.25 -2.66 -3.20 -1.09 5.02 -1.26 -4.95 118.16 108.78 1e9j n LYS 51 Ca 0.00 2.01 0.01 0.00 -2.02 0.00 0.00 58.31 58.31 1e9j n LYS 51 Cb 0.08 -3.16 -0.01 0.00 -0.02 0.00 0.00 35.03 31.92 1e9j n LYS 51 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1e9j s ASN 52 N -6.88 -1.45 0.00 4.39 3.84 -1.26 -5.07 114.94 108.52 1e9j s ASN 52 Ca 0.00 -0.50 0.00 0.00 0.21 0.00 0.00 52.86 52.57 1e9j s ASN 52 Cb 0.00 1.93 0.00 0.00 -0.55 0.00 0.00 41.25 42.63 1e9j s ASN 52 CO 0.00 -0.22 0.00 1.33 -2.79 0.00 0.00 177.10 175.42 1e9j n VAL 53 N 4.74 0.00 -0.27 -5.21 0.24 -1.26 0.34 118.33 116.90 1e9j n VAL 53 Ca 0.09 0.00 0.31 0.00 -2.04 0.00 0.00 64.34 62.70 1e9j n VAL 53 Cb 0.56 0.00 0.50 0.00 -1.47 0.00 0.00 33.84 33.42 1e9j n VAL 53 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1e9j h THR 54 N 0.00 0.01 0.00 3.34 1.03 -2.04 -3.44 112.91 111.82 1e9j h THR 54 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1e9j h THR 54 Cb 0.00 0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.10 1e9j h THR 54 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 175.52 175.27 1e9j n SER 55 N -3.35 0.00 -4.28 0.00 2.88 1.02 -4.92 113.62 104.97 1e9j n SER 55 Ca 0.26 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.36 1e9j n SER 55 Cb 1.57 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.97 1e9j n SER 55 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1e9j s GLU 56 N 0.00 2.81 0.00 -1.46 2.02 -1.26 -4.87 118.70 115.94 1e9j s GLU 56 Ca 0.00 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.28 1e9j s GLU 56 Cb 0.00 -4.16 0.00 0.00 0.10 0.00 0.00 34.13 30.07 1e9j s GLU 56 CO 0.00 -1.26 0.00 0.43 0.02 0.00 0.00 175.26 174.45 1e9j n SER 57 N 5.12 0.00 -4.64 -0.19 7.64 -1.26 -4.97 113.62 115.32 1e9j n SER 57 Ca -0.12 0.10 -0.39 0.00 1.01 0.00 0.00 58.87 59.47 1e9j n SER 57 Cb 0.40 -0.30 0.04 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.88 3.42 -3.64 0.44 -2.24 -1.24 -3.84 114.28 105.31 1e9j n THR 58 Ca 0.00 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.23 1e9j n THR 58 Cb 0.00 -1.27 -0.07 0.00 -2.10 0.00 0.00 70.33 66.89 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 5.36 4.22 0.00 0.00 0.31 -1.18 -4.76 118.33 122.28 1e9j n VAL 61 Ca -0.09 -5.64 0.00 0.00 -0.01 0.00 0.00 64.34 58.60 1e9j n VAL 61 Cb 0.45 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 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 1.29 -0.79 -0.09 3.52 0.00 -1.25 -4.68 120.51 118.51 1e9j n ALA 62 Ca 0.27 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.85 1e9j n ALA 62 Cb 0.36 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.34 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 2.04 0.33 -2.95 0.00 3.64 0.98 -3.40 116.57 117.22 1e9j h LYS 63 Ca 0.00 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 1e9j h LYS 63 Cb 0.00 -0.07 -0.31 0.00 -0.41 0.00 0.00 32.23 31.44 1e9j h LYS 63 CO 0.00 0.22 -0.49 -1.12 -2.27 0.00 0.00 179.45 175.79 1e9j s SER 64 N -6.15 -0.06 0.26 4.20 0.01 -0.74 -4.91 113.70 106.30 1e9j s SER 64 Ca -0.07 0.57 0.09 0.00 1.31 0.00 0.00 55.95 57.84 1e9j s SER 64 Cb 0.20 0.53 -0.04 0.00 0.21 0.00 0.00 66.02 66.92 1e9j s SER 64 CO 0.75 -0.19 0.06 -0.72 0.41 0.00 0.00 173.24 173.55 1e9j s TYR 65 N 1.68 2.84 -0.08 2.43 1.13 -1.25 0.32 117.35 124.42 1e9j s TYR 65 Ca -0.06 -0.18 0.16 0.00 -1.41 0.00 0.00 57.07 55.58 1e9j s TYR 65 Cb -0.11 -1.27 0.33 0.00 -1.10 0.00 0.00 41.96 39.81 1e9j s TYR 65 CO -0.09 0.59 1.15 -1.71 -2.51 0.00 0.00 175.55 172.98 1e9j n ASN 66 N -0.96 1.19 0.00 -0.18 5.15 0.21 -4.74 115.26 115.92 1e9j n ASN 66 Ca -0.07 -2.68 0.00 0.00 -0.60 0.00 0.00 54.58 51.23 1e9j n ASN 66 Cb 0.58 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 1e9j n ASN 66 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1e9j n ARG 67 N -0.31 0.00 -2.50 1.20 1.85 -1.19 -3.90 116.66 111.80 1e9j n ARG 67 Ca 0.10 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.78 1e9j n ARG 67 Cb 0.87 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 32.30 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 1.81 0.00 8.89 0.24 -1.26 -4.60 118.33 123.41 1e9j n VAL 68 Ca 0.00 -3.89 0.00 0.00 -2.04 0.00 0.00 64.34 58.41 1e9j n VAL 68 Cb 0.00 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 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 -2.67 3.34 -1.04 -1.25 -4.78 114.28 107.46 1e9j n THR 69 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1e9j n THR 69 Cb 0.79 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.30 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 -1.42 12.58 0.31 -1.17 -4.74 118.33 123.89 1e9j n VAL 70 Ca 0.00 0.00 -0.50 0.00 -0.01 0.00 0.00 64.34 63.83 1e9j n VAL 70 Cb 0.00 -0.55 -0.04 0.00 -0.91 0.00 0.00 33.84 32.35 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 -0.12 0.02 -0.99 5.55 2.81 -1.26 0.12 117.12 123.25 1e9j n MET 71 Ca 0.00 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1e9j n MET 71 Cb 0.00 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 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 1.92 0.20 2.08 3.03 0.00 -1.26 -2.09 105.19 109.07 1e9j n GLY 72 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.62 0.33 2.96 -0.02 0.00 0.33 -5.02 105.19 103.16 1e9j n GLY 73 Ca 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.73 -2.00 -3.25 1.61 3.72 0.20 -4.57 117.46 109.43 1e9j n PHE 74 Ca -0.04 0.20 -0.04 0.00 -0.05 0.00 0.00 57.45 57.51 1e9j n PHE 74 Cb 0.43 -1.39 -0.03 0.00 -0.94 0.00 0.00 39.48 37.55 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 -3.03 0.64 -0.01 -1.08 3.01 -1.26 -3.01 119.74 115.00 1e9j s LYS 75 Ca 0.29 -0.14 0.14 0.00 -1.01 0.00 0.00 55.97 55.24 1e9j s LYS 75 Cb -0.04 -0.13 0.41 0.00 -1.01 0.00 0.00 37.83 37.06 1e9j s LYS 75 CO 0.29 -1.13 1.33 1.33 0.51 0.00 0.00 175.35 177.68 1e9j n VAL 76 N 4.79 0.69 -2.56 3.17 0.24 -1.26 -4.85 118.33 118.54 1e9j n VAL 76 Ca 0.08 -0.63 -0.15 0.00 -2.04 0.00 0.00 64.34 61.60 1e9j n VAL 76 Cb 0.52 0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 33.12 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 0.80 -0.90 -0.05 7.34 -0.58 -1.26 -0.98 120.64 125.00 1e9j n GLU 77 Ca 0.15 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1e9j n GLU 77 Cb 0.42 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 -0.34 0.00 -4.68 1.62 5.15 -1.25 -0.17 115.26 115.59 1e9j n ASN 78 Ca 0.04 0.00 -0.65 0.00 -0.60 0.00 0.00 54.58 53.37 1e9j n ASN 78 Cb 0.16 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.31 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 1.75 0.22 1.20 8.25 -0.16 0.64 115.22 127.12 1e9j n HIS 79 Ca 0.00 0.97 0.11 0.00 -0.26 0.00 0.00 57.72 58.54 1e9j n HIS 79 Cb 0.00 -2.29 -0.15 0.00 1.12 0.00 0.00 29.99 28.67 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 4.46 0.02 -3.54 1.59 -2.24 0.95 -4.83 114.28 110.69 1e9j n THR 80 Ca 0.33 -0.39 -0.15 0.00 -2.27 0.00 0.00 64.05 61.57 1e9j n THR 80 Cb -0.01 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 1e9j n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j s ALA 81 N -3.40 -1.84 0.42 6.98 0.00 -0.39 -4.85 121.76 118.68 1e9j s ALA 81 Ca -0.04 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1e9j s ALA 81 Cb 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1e9j s ALA 81 CO 0.89 -0.35 0.02 0.00 0.00 0.00 0.00 175.76 176.33 1e9j s HIS 83 N -2.48 -0.29 -0.13 0.00 -3.43 -1.26 -3.88 115.29 103.83 1e9j s HIS 83 Ca 0.01 0.31 -0.29 0.00 -0.80 0.00 0.00 55.06 54.29 1e9j s HIS 83 Cb -0.00 0.10 -0.05 0.00 -1.43 0.00 0.00 32.58 31.20 1e9j s HIS 83 CO 0.01 -0.16 1.73 0.00 -2.00 0.00 0.00 174.74 174.33 1e9j n SER 85 N 8.22 -0.33 -2.07 0.00 7.64 0.54 -4.70 113.62 122.91 1e9j n SER 85 Ca 0.20 -1.69 -0.13 0.00 1.01 0.00 0.00 58.87 58.26 1e9j n SER 85 Cb 0.44 0.69 0.25 0.00 -1.01 0.00 0.00 64.21 64.58 1e9j n SER 85 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1e9j n THR 86 N -0.20 2.98 -3.60 0.44 -2.24 -1.25 0.27 114.28 110.68 1e9j n THR 86 Ca 0.02 -1.68 -0.23 0.00 -2.27 0.00 0.00 64.05 59.89 1e9j n THR 86 Cb 0.20 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j n TYR 88 N -2.54 0.00 -1.87 0.00 9.36 -1.26 -5.16 117.16 115.69 1e9j n TYR 88 Ca -0.21 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.07 1e9j n TYR 88 Cb 0.50 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.19 1e9j n TYR 88 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1e9j n TYR 89 N 0.26 -2.37 0.00 2.98 4.02 -1.26 -4.91 117.16 115.87 1e9j n TYR 89 Ca 0.00 0.59 0.00 0.00 -0.01 0.00 0.00 57.90 58.48 1e9j n TYR 89 Cb 0.00 -1.04 0.00 0.00 -0.02 0.00 0.00 39.34 38.28 1e9j n TYR 89 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 1e9j n HIS 90 N -2.04 0.00 -4.33 -0.72 1.44 -1.26 -4.85 115.22 103.46 1e9j n HIS 90 Ca 0.00 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.55 1e9j n HIS 90 Cb 0.22 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.28 1e9j n HIS 90 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1e9j n LYS 91 N 0.00 0.74 0.00 -1.40 -0.00 -1.26 -5.25 118.16 110.99 1e9j n LYS 91 Ca 0.00 -2.21 0.00 0.00 -0.00 0.00 0.00 58.31 56.10 1e9j n LYS 91 Cb 0.00 1.16 0.00 0.00 -0.00 0.00 0.00 35.03 36.19 1e9j n LYS 91 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27