#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 -0.85 -2.27 0.00 -0.02 -1.26 -4.95 135.00 125.66 1e9j n PRO 2 Ca 0.00 -0.22 -0.26 0.00 -2.02 0.00 0.00 63.50 61.00 1e9j n PRO 2 Cb 0.00 -1.63 0.01 0.00 -0.02 0.00 0.00 33.50 31.86 1e9j n PRO 2 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1e9j n ASP 3 N -0.64 4.88 -3.70 2.55 2.03 -1.26 -4.99 116.55 115.41 1e9j n ASP 3 Ca 0.02 -3.74 -0.16 0.00 0.52 0.00 0.00 54.79 51.44 1e9j n ASP 3 Cb 0.60 -0.43 -0.16 0.00 -0.72 0.00 0.00 41.12 40.42 1e9j n ASP 3 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1e9j s VAL 4 N -5.13 -0.15 0.11 5.18 0.11 -1.26 -5.16 120.40 114.10 1e9j s VAL 4 Ca 0.49 0.29 0.02 0.00 -2.93 0.00 0.00 61.98 59.86 1e9j s VAL 4 Cb 0.41 -0.23 0.02 0.00 -1.53 0.00 0.00 36.38 35.04 1e9j s VAL 4 CO -0.10 0.12 0.14 0.00 -3.33 0.00 0.00 175.10 171.93 1e9j n GLN 5 N 4.83 1.02 -3.25 1.54 6.02 -1.26 -5.11 117.38 121.18 1e9j n GLN 5 Ca -0.14 -0.61 -0.22 0.00 -0.01 0.00 0.00 57.00 56.02 1e9j n GLN 5 Cb 0.50 -0.02 -0.07 0.00 1.02 0.00 0.00 30.24 31.67 1e9j n GLN 5 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1e9j n ASP 6 N -2.67 -1.04 0.00 1.08 2.03 -1.26 -4.90 116.55 109.79 1e9j n ASP 6 Ca 0.02 -2.51 0.00 0.00 0.52 0.00 0.00 54.79 52.82 1e9j n ASP 6 Cb 0.12 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1e9j n ASP 6 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1e9j n PRO 8 N 0.00 0.00 -4.03 0.00 -0.02 -0.98 -4.19 135.00 125.78 1e9j n PRO 8 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 1e9j n PRO 8 Cb 0.00 -0.48 -0.11 0.00 -0.02 0.00 0.00 33.50 32.89 1e9j n PRO 8 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1e9j s GLU 9 N 3.03 0.45 -0.29 -0.52 2.56 1.00 -4.92 118.70 120.00 1e9j s GLU 9 Ca 0.40 -0.77 -0.16 0.00 0.00 0.00 0.00 54.97 54.45 1e9j s GLU 9 Cb -0.26 -0.04 0.15 0.00 2.00 0.00 0.00 34.13 35.98 1e9j s GLU 9 CO 0.17 -0.02 1.00 0.00 -0.56 0.00 0.00 175.26 175.86 1e9j n THR 11 N 3.61 0.00 0.00 0.00 5.66 -1.26 -4.92 114.28 117.37 1e9j n THR 11 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1e9j n THR 11 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1e9j n THR 11 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1e9j n LEU 12 N -0.97 0.00 -3.42 1.09 4.32 -1.26 -4.90 117.00 111.86 1e9j n LEU 12 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.62 1e9j n LEU 12 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1e9j n LEU 12 CO 0.00 0.00 1.03 0.00 -1.22 0.00 0.00 177.39 177.20 1e9j n GLN 13 N 2.17 4.75 0.00 3.23 6.02 -1.13 -4.77 117.38 127.65 1e9j n GLN 13 Ca 0.00 -4.73 0.00 0.00 -0.01 0.00 0.00 57.00 52.26 1e9j n GLN 13 Cb 0.00 -2.40 0.00 0.00 1.02 0.00 0.00 30.24 28.86 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 -0.11 0.00 -1.50 -1.09 2.13 -1.25 -4.38 120.64 114.43 1e9j n GLU 14 Ca 0.42 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.79 1e9j n GLU 14 Cb 0.30 0.00 -0.06 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 2.17 -0.96 4.31 2.85 0.85 -4.73 115.26 119.74 1e9j n ASN 15 Ca 0.00 0.11 -0.01 0.00 -0.11 0.00 0.00 54.58 54.57 1e9j n ASN 15 Cb 0.00 -1.36 0.01 0.00 1.24 0.00 0.00 39.78 39.68 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 8.54 1.10 0.07 1.20 -0.04 -1.26 -2.40 135.00 142.22 1e9j n PRO 16 Ca 0.41 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1e9j n PRO 16 Cb 0.33 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.33 -0.72 0.88 0.54 -0.00 -1.26 -4.76 117.46 112.47 1e9j n PHE 17 Ca 0.03 0.13 0.10 0.00 -0.00 0.00 0.00 57.45 57.71 1e9j n PHE 17 Cb 0.51 0.18 0.49 0.00 -0.00 0.00 0.00 39.48 40.66 1e9j n PHE 17 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1e9j n PHE 18 N -3.39 0.00 -1.49 -5.13 3.72 -1.23 -4.77 117.46 105.16 1e9j n PHE 18 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1e9j n PHE 18 Cb 0.00 -0.36 -0.09 0.00 -0.94 0.00 0.00 39.48 38.09 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 -1.36 1.48 -4.71 4.37 3.41 -1.01 -4.52 113.62 111.28 1e9j n SER 19 Ca 0.08 0.05 -0.28 0.00 -0.26 0.00 0.00 58.87 58.46 1e9j n SER 19 Cb 0.19 -1.23 -0.08 0.00 -0.26 0.00 0.00 64.21 62.83 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 7.84 2.12 0.00 4.33 -0.21 0.79 -4.91 119.66 129.61 1e9j s GLN 20 Ca 1.16 -2.07 -0.21 0.00 0.02 0.00 0.00 55.36 54.26 1e9j s GLN 20 Cb -0.82 -1.77 -0.25 0.00 1.00 0.00 0.00 33.01 31.17 1e9j s GLN 20 CO 0.43 -0.18 1.29 -2.30 -2.12 0.00 0.00 175.29 172.41 1e9j n PRO 21 N -1.18 0.00 0.00 2.91 -0.02 -1.26 -0.05 135.00 135.40 1e9j n PRO 21 Ca -0.06 -0.75 0.00 0.00 -2.02 0.00 0.00 63.50 60.67 1e9j n PRO 21 Cb 0.66 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 4.55 1.84 3.03 -1.23 0.00 -1.26 -5.09 105.19 107.03 1e9j n GLY 22 Ca 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.00 -1.64 -0.97 4.61 0.00 0.93 -5.07 121.76 117.63 1e9j s ALA 23 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 1e9j s ALA 23 Cb 0.00 -2.42 0.28 0.00 0.00 0.00 0.00 23.12 20.98 1e9j s ALA 23 CO 0.00 -2.09 1.18 -0.35 0.00 0.00 0.00 175.76 174.50 1e9j n PRO 24 N 4.61 3.67 -0.47 0.00 -0.04 -1.26 0.28 135.00 141.80 1e9j n PRO 24 Ca 0.09 -4.56 0.00 0.00 -0.04 0.00 0.00 63.50 58.99 1e9j n PRO 24 Cb 0.52 -2.45 0.00 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 1.56 0.00 -2.31 0.52 2.08 -1.26 -4.22 119.36 115.73 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 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.25 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 0.29 117.00 122.19 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 -0.91 3.23 -0.06 -1.26 -4.18 117.38 114.20 1e9j n GLN 27 Ca 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.59 1e9j n GLN 27 Cb 0.00 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.10 1e9j n GLN 27 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1e9j n MET 29 N 4.49 1.41 0.00 0.00 1.56 -1.26 -4.84 117.12 118.47 1e9j n MET 29 Ca 0.33 -3.58 0.00 0.00 -0.27 0.00 0.00 57.70 54.19 1e9j n MET 29 Cb -0.03 -1.68 0.00 0.00 2.15 0.00 0.00 33.22 33.66 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 0.09 0.27 3.16 -5.12 0.00 -1.26 -4.87 105.19 97.46 1e9j n GLY 30 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 0.00 -0.82 0.00 3.01 -1.26 -2.70 117.46 115.70 1e9j n PHE 33 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1e9j n PHE 33 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1e9j n PHE 33 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1e9j n SER 34 N -1.21 -1.18 -0.70 4.37 2.88 -1.26 -4.66 113.62 111.86 1e9j n SER 34 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1e9j n SER 34 Cb 0.00 -0.59 -0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1e9j n SER 34 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1e9j n ARG 35 N 0.60 0.01 -1.63 -1.46 1.85 -1.26 -4.65 116.66 110.11 1e9j n ARG 35 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1e9j n ARG 35 Cb 0.00 0.41 0.00 0.00 -1.05 0.00 0.00 32.46 31.82 1e9j n ARG 35 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1e9j n ALA 36 N -0.01 -1.98 0.00 2.89 0.00 -1.26 -5.03 120.51 115.12 1e9j n ALA 36 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1e9j n ALA 36 Cb 0.30 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.35 0.00 1.01 0.00 9.36 -1.26 -4.96 117.16 118.96 1e9j n TYR 37 Ca 0.00 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.26 1e9j n TYR 37 Cb 0.41 0.00 0.22 0.00 -0.63 0.00 0.00 39.34 39.34 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 0.00 0.51 -2.54 2.98 -0.02 -1.26 -4.79 135.00 129.87 1e9j n PRO 38 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1e9j n PRO 38 Cb 0.00 -1.23 0.01 0.00 -0.02 0.00 0.00 33.50 32.26 1e9j n PRO 38 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1e9j n THR 39 N -0.73 -0.56 -1.62 3.45 -1.04 -1.26 -4.91 114.28 107.60 1e9j n THR 39 Ca 0.06 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.05 61.90 1e9j n THR 39 Cb 0.03 -2.14 -0.08 0.00 -1.82 0.00 0.00 70.33 66.31 1e9j n THR 39 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1e9j s PRO 40 N -4.92 1.57 -1.08 -2.82 0.04 -1.26 -4.84 135.00 121.69 1e9j s PRO 40 Ca 0.06 0.20 -0.19 0.00 0.04 0.00 0.00 61.00 61.11 1e9j s PRO 40 Cb -0.03 -4.86 -0.07 0.00 0.04 0.00 0.00 34.50 29.59 1e9j s PRO 40 CO 0.11 -4.62 2.01 -0.11 0.04 0.00 0.00 177.00 174.42 1e9j n LEU 41 N 18.56 4.93 0.00 -3.56 0.00 -1.26 -4.81 117.00 130.86 1e9j n LEU 41 Ca 0.45 -3.41 0.00 0.00 0.00 0.00 0.00 56.01 53.05 1e9j n LEU 41 Cb 0.44 -1.41 0.00 0.00 0.00 0.00 0.00 43.42 42.45 1e9j n LEU 41 CO 0.56 -0.02 0.00 -1.14 0.00 0.00 0.00 177.39 176.79 1e9j n ARG 42 N 6.99 0.00 -2.93 1.96 3.00 -1.26 -4.35 116.66 120.07 1e9j n ARG 42 Ca 0.50 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.92 1e9j n ARG 42 Cb 0.41 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.88 1e9j n ARG 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1e9j n SER 43 N 1.00 6.58 -2.42 6.15 3.41 -1.26 -4.77 113.62 122.31 1e9j n SER 43 Ca 0.00 -3.46 -0.29 0.00 -0.26 0.00 0.00 58.87 54.86 1e9j n SER 43 Cb 0.00 -1.26 0.02 0.00 -0.26 0.00 0.00 64.21 62.71 1e9j n SER 43 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1e9j n LYS 44 N 1.12 3.33 0.00 4.33 5.02 -1.26 -4.68 118.16 126.01 1e9j n LYS 44 Ca 0.30 -4.20 0.00 0.00 -2.02 0.00 0.00 58.31 52.38 1e9j n LYS 44 Cb 0.32 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 1e9j n LYS 44 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1e9j n LYS 45 N -0.57 0.00 -3.13 1.97 4.81 -1.26 -5.00 118.16 114.98 1e9j n LYS 45 Ca 0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.74 1e9j n LYS 45 Cb 0.67 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.79 1e9j n LYS 45 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1e9j n THR 46 N 0.00 -7.99 -3.56 3.15 -1.04 -1.26 -5.00 114.28 98.58 1e9j n THR 46 Ca 0.00 -1.11 -0.27 0.00 -2.04 0.00 0.00 64.05 60.63 1e9j n THR 46 Cb 0.00 -5.99 -0.10 0.00 -1.82 0.00 0.00 70.33 62.42 1e9j n THR 46 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1e9j n MET 47 N -3.20 1.09 -0.52 -2.82 2.81 -1.26 -4.90 117.12 108.32 1e9j n MET 47 Ca -0.10 -3.82 0.04 0.00 -1.81 0.00 0.00 57.70 52.02 1e9j n MET 47 Cb 0.62 -1.91 0.20 0.00 -0.71 0.00 0.00 33.22 31.42 1e9j n MET 47 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1e9j n LEU 48 N 2.15 3.30 -4.79 4.03 7.99 -1.26 -4.39 117.00 124.03 1e9j n LEU 48 Ca 0.25 -3.52 -0.36 0.00 -0.01 0.00 0.00 56.01 52.38 1e9j n LEU 48 Cb 0.43 -0.54 -0.05 0.00 -0.11 0.00 0.00 43.42 43.14 1e9j n LEU 48 CO 0.19 1.07 0.69 0.68 -1.51 0.00 0.00 177.39 178.51 1e9j s VAL 49 N -3.09 4.02 0.04 4.08 -7.23 -1.26 -5.06 120.40 111.90 1e9j s VAL 49 Ca 0.40 1.51 0.02 0.00 -1.81 0.00 0.00 61.98 62.10 1e9j s VAL 49 Cb 0.36 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.50 1e9j s VAL 49 CO 0.00 -0.03 0.03 -1.10 -0.31 0.00 0.00 175.10 173.69 1e9j s GLN 50 N -2.54 2.78 0.71 4.82 -0.21 -1.26 -5.02 119.66 118.94 1e9j s GLN 50 Ca 0.57 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 55.28 1e9j s GLN 50 Cb -0.18 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.16 1e9j s GLN 50 CO 0.23 0.59 0.00 1.63 -2.12 0.00 0.00 175.29 175.62 1e9j n LYS 51 N 0.97 -1.46 -1.68 2.91 4.01 -1.26 -4.71 118.16 116.95 1e9j n LYS 51 Ca -0.12 0.96 -0.47 0.00 -0.51 0.00 0.00 58.31 58.17 1e9j n LYS 51 Cb 0.52 -1.78 -0.04 0.00 -0.51 0.00 0.00 35.03 33.22 1e9j n LYS 51 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1e9j n ASN 52 N -2.90 3.43 -4.58 4.39 6.94 -1.26 -4.86 115.26 116.41 1e9j n ASN 52 Ca 0.00 1.00 -0.41 0.00 -0.02 0.00 0.00 54.58 55.15 1e9j n ASN 52 Cb 0.33 -1.41 -0.03 0.00 -2.36 0.00 0.00 39.78 36.31 1e9j n ASN 52 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1e9j s VAL 53 N 3.00 3.36 -0.37 3.53 -7.23 -1.26 -4.89 120.40 116.54 1e9j s VAL 53 Ca 0.87 0.33 0.06 0.00 -1.81 0.00 0.00 61.98 61.43 1e9j s VAL 53 Cb -0.66 -3.58 0.17 0.00 0.56 0.00 0.00 36.38 32.88 1e9j s VAL 53 CO 0.46 -0.43 0.53 0.42 -0.31 0.00 0.00 175.10 175.77 1e9j s THR 54 N 7.96 -0.79 0.00 5.32 -4.23 -1.26 -4.69 115.64 117.95 1e9j s THR 54 Ca 0.81 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 1e9j s THR 54 Cb -0.21 -0.44 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1e9j s THR 54 CO 0.30 -0.18 0.00 -1.54 -0.54 0.00 0.00 174.62 172.66 1e9j n SER 55 N 4.64 -1.82 0.17 3.99 3.41 -1.26 -4.96 113.62 117.79 1e9j n SER 55 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1e9j n SER 55 Cb 0.53 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1e9j n SER 55 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1e9j n GLU 56 N 0.13 0.00 0.00 4.33 1.02 -1.26 -5.10 120.64 119.75 1e9j n GLU 56 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1e9j n GLU 56 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1e9j n GLU 56 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1e9j n SER 57 N -3.41 0.00 -4.81 1.62 3.41 -1.26 -5.10 113.62 104.08 1e9j n SER 57 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1e9j n SER 57 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1e9j n SER 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1e9j s THR 58 N 0.46 4.73 -0.28 6.66 -4.23 -1.26 -4.58 115.64 117.13 1e9j s THR 58 Ca 0.00 1.22 -0.20 0.00 -1.18 0.00 0.00 61.69 61.53 1e9j s THR 58 Cb 0.00 -3.90 0.10 0.00 1.34 0.00 0.00 72.50 70.04 1e9j s THR 58 CO 0.00 0.54 0.83 0.00 -0.54 0.00 0.00 174.62 175.44 1e9j n VAL 61 N 0.98 3.61 -1.58 0.00 0.24 -1.24 -4.58 118.33 115.76 1e9j n VAL 61 Ca 0.30 -2.11 0.00 0.00 -2.04 0.00 0.00 64.34 60.49 1e9j n VAL 61 Cb 0.33 -2.40 0.00 0.00 -1.47 0.00 0.00 33.84 30.30 1e9j n VAL 61 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1e9j n ALA 62 N 3.58 -1.00 -0.32 2.33 0.00 -1.25 -4.73 120.51 119.12 1e9j n ALA 62 Ca 0.64 0.00 0.05 0.00 0.00 0.00 0.00 53.44 54.13 1e9j n ALA 62 Cb 0.29 -0.41 0.20 0.00 0.00 0.00 0.00 19.45 19.53 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 3.62 0.81 -3.20 0.00 3.64 0.81 -3.37 116.57 118.89 1e9j h LYS 63 Ca 0.00 -0.05 -0.47 0.00 -1.27 0.00 0.00 60.65 58.86 1e9j h LYS 63 Cb 0.00 -0.18 -0.41 0.00 -0.41 0.00 0.00 32.23 31.23 1e9j h LYS 63 CO 0.00 0.54 -0.75 -1.12 -2.27 0.00 0.00 179.45 175.85 1e9j s SER 64 N -5.61 2.37 0.27 4.20 0.01 -0.81 -4.91 113.70 109.22 1e9j s SER 64 Ca -0.12 -0.60 0.06 0.00 1.31 0.00 0.00 55.95 56.60 1e9j s SER 64 Cb 0.21 -0.32 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 1e9j s SER 64 CO 0.79 -0.33 0.30 -0.72 0.41 0.00 0.00 173.24 173.69 1e9j s TYR 65 N 2.07 3.20 -0.14 2.43 -0.85 -1.26 0.34 117.35 123.15 1e9j s TYR 65 Ca 0.02 -0.12 0.17 0.00 -0.52 0.00 0.00 57.07 56.61 1e9j s TYR 65 Cb -0.16 -1.59 0.43 0.00 0.38 0.00 0.00 41.96 41.02 1e9j s TYR 65 CO -0.08 0.38 1.19 0.09 -1.52 0.00 0.00 175.55 175.61 1e9j n ASN 66 N -1.35 1.62 0.00 -0.18 4.13 0.43 -4.77 115.26 115.15 1e9j n ASN 66 Ca -0.06 -3.11 0.00 0.00 1.68 0.00 0.00 54.58 53.09 1e9j n ASN 66 Cb 0.58 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 38.39 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 -0.47 0.00 -1.87 3.52 1.85 -1.23 -3.78 116.66 114.67 1e9j n ARG 67 Ca 0.15 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.68 1e9j n ARG 67 Cb 0.88 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 32.33 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 3.10 -0.32 8.89 0.24 -1.26 -4.70 118.33 124.27 1e9j n VAL 68 Ca 0.00 -3.98 -0.13 0.00 -2.04 0.00 0.00 64.34 58.19 1e9j n VAL 68 Cb 0.00 -1.20 -0.02 0.00 -1.47 0.00 0.00 33.84 31.15 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 -0.69 0.00 -4.01 3.34 -1.04 -1.25 -4.81 114.28 105.82 1e9j n THR 69 Ca 0.51 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.52 1e9j n THR 69 Cb 0.64 -0.10 -0.00 0.00 -1.82 0.00 0.00 70.33 69.05 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 0.87 0.00 -1.67 12.58 0.31 -1.15 -4.82 118.33 124.45 1e9j n VAL 70 Ca 0.07 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1e9j n VAL 70 Cb -0.01 0.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -0.01 0.00 -0.29 5.55 2.81 -1.26 0.17 117.12 124.09 1e9j n MET 71 Ca -0.00 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.85 1e9j n MET 71 Cb 0.01 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 32.58 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 2.43 0.00 3.03 0.00 -1.26 -4.62 105.19 104.77 1e9j n GLY 72 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.10 1.84 3.44 -0.02 0.00 0.10 -5.12 105.19 105.54 1e9j n GLY 73 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 0.80 -0.33 1.61 0.40 0.46 -4.76 117.98 114.16 1e9j s PHE 74 Ca 0.00 0.96 0.04 0.00 -0.60 0.00 0.00 56.93 57.33 1e9j s PHE 74 Cb 0.00 -3.05 0.17 0.00 0.51 0.00 0.00 43.02 40.65 1e9j s PHE 74 CO 0.00 -4.20 0.48 0.15 0.70 0.00 0.00 175.22 172.34 1e9j s LYS 75 N -4.67 0.57 0.00 0.44 1.02 -1.26 -2.94 119.74 112.89 1e9j s LYS 75 Ca 0.68 -0.09 0.06 0.00 0.02 0.00 0.00 55.97 56.65 1e9j s LYS 75 Cb -0.21 -0.22 0.19 0.00 -0.52 0.00 0.00 37.83 37.07 1e9j s LYS 75 CO 0.62 -1.10 1.16 1.33 -0.92 0.00 0.00 175.35 176.44 1e9j n VAL 76 N 4.95 0.26 -2.80 3.17 0.24 -1.26 -4.83 118.33 118.07 1e9j n VAL 76 Ca 0.06 -0.26 -0.18 0.00 -2.04 0.00 0.00 64.34 61.91 1e9j n VAL 76 Cb 0.51 0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.98 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 0.08 -0.88 0.00 7.34 4.07 -1.26 -1.89 120.64 128.09 1e9j n GLU 77 Ca 0.07 0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 1e9j n GLU 77 Cb 0.17 -1.99 0.00 0.00 -0.06 0.00 0.00 31.44 29.56 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 -0.58 0.00 -4.68 4.31 5.15 -1.25 -1.11 115.26 117.10 1e9j n ASN 78 Ca 0.05 0.00 -0.59 0.00 -0.60 0.00 0.00 54.58 53.43 1e9j n ASN 78 Cb 0.19 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.36 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 1.92 0.12 1.20 8.25 -0.79 0.16 115.22 126.08 1e9j n HIS 79 Ca 0.00 0.65 0.08 0.00 -0.26 0.00 0.00 57.72 58.19 1e9j n HIS 79 Cb 0.00 -2.41 -0.12 0.00 1.12 0.00 0.00 29.99 28.58 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 4.78 0.00 -3.57 1.59 -2.24 1.04 -4.85 114.28 111.02 1e9j n THR 80 Ca 0.30 -0.33 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 1e9j n THR 80 Cb 0.09 0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 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 -3.01 -1.78 -0.01 6.98 0.00 0.14 -4.83 121.76 119.25 1e9j s ALA 81 Ca -0.04 1.66 0.05 0.00 0.00 0.00 0.00 51.96 53.63 1e9j s ALA 81 Cb 0.11 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1e9j s ALA 81 CO 0.66 -0.35 -0.15 0.00 0.00 0.00 0.00 175.76 175.92 1e9j s HIS 83 N -0.37 -0.53 0.67 0.00 -3.43 -1.26 -4.57 115.29 105.79 1e9j s HIS 83 Ca 0.06 1.13 -0.09 0.00 -0.80 0.00 0.00 55.06 55.35 1e9j s HIS 83 Cb -0.06 0.06 0.15 0.00 -1.43 0.00 0.00 32.58 31.30 1e9j s HIS 83 CO -0.00 -0.39 0.91 0.00 -2.00 0.00 0.00 174.74 173.25 1e9j n SER 85 N -3.45 0.28 -2.68 0.00 3.41 -1.14 -4.70 113.62 105.35 1e9j n SER 85 Ca 0.12 -1.21 -0.05 0.00 -0.26 0.00 0.00 58.87 57.47 1e9j n SER 85 Cb 0.42 -1.51 0.06 0.00 -0.26 0.00 0.00 64.21 62.92 1e9j n SER 85 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1e9j n THR 86 N -4.29 0.00 -4.02 6.66 5.66 -1.23 -4.88 114.28 112.18 1e9j n THR 86 Ca -0.21 -0.92 -0.31 0.00 -3.05 0.00 0.00 64.05 59.55 1e9j n THR 86 Cb 0.61 0.92 -0.15 0.00 -1.55 0.00 0.00 70.33 70.16 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1e9j s TYR 88 N 0.97 2.87 0.21 0.00 1.51 -1.26 -4.84 117.35 116.81 1e9j s TYR 88 Ca 0.06 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.43 1e9j s TYR 88 Cb -0.19 -1.91 0.00 0.00 -0.11 0.00 0.00 41.96 39.75 1e9j s TYR 88 CO -0.08 -0.27 0.00 0.66 -1.11 0.00 0.00 175.55 174.75 1e9j n TYR 89 N 3.81 -4.59 -3.76 2.71 4.01 -1.26 -4.94 117.16 113.15 1e9j n TYR 89 Ca -0.18 2.73 -0.36 0.00 -0.16 0.00 0.00 57.90 59.93 1e9j n TYR 89 Cb 0.52 -3.57 -0.11 0.00 -0.31 0.00 0.00 39.34 35.88 1e9j n TYR 89 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 1e9j s HIS 90 N -0.60 3.22 0.00 -0.72 -3.43 -1.26 -4.30 115.29 108.19 1e9j s HIS 90 Ca 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 55.06 54.26 1e9j s HIS 90 Cb 0.00 -2.24 0.00 0.00 -1.43 0.00 0.00 32.58 28.91 1e9j s HIS 90 CO 0.00 -0.06 0.00 1.17 -2.00 0.00 0.00 174.74 173.85 1e9j n LYS 91 N 4.41 0.00 -0.18 -0.38 4.81 -1.26 -5.20 118.16 120.36 1e9j n LYS 91 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1e9j n LYS 91 Cb 0.52 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 34.36 1e9j n LYS 91 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00