#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sym n SER 1 N 0.00 1.05 0.06 6.12 3.41 -1.26 -4.94 113.62 118.06 1sym n SER 1 Ca 0.00 -1.45 -0.21 0.00 -0.26 0.00 0.00 58.87 56.95 1sym n SER 1 Cb 0.00 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 63.75 1sym n SER 1 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1sym h GLU 2 N 0.00 0.34 -0.14 4.33 4.39 -2.03 -2.79 114.58 118.67 1sym h GLU 2 Ca -0.08 -0.58 -0.13 0.00 0.34 0.00 0.00 59.36 58.91 1sym h GLU 2 Cb 0.33 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1sym h GLU 2 CO 0.12 1.28 -0.48 1.25 -1.16 0.00 0.00 179.01 180.02 1sym h LEU 3 N -0.28 0.39 0.39 1.33 5.85 -1.97 -1.27 115.31 119.74 1sym h LEU 3 Ca -0.17 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1sym h LEU 3 Cb 1.74 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.66 1sym h LEU 3 CO 0.17 0.81 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.56 1sym h GLU 4 N 0.29 -0.50 -0.47 1.25 5.08 -1.96 0.30 114.58 118.56 1sym h GLU 4 Ca 0.02 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1sym h GLU 4 Cb 0.95 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1sym h GLU 4 CO 0.08 -0.33 0.31 -0.22 -1.00 0.00 0.00 179.01 177.85 1sym h LYS 5 N -0.88 0.49 0.00 2.33 3.11 -1.58 0.73 116.57 120.76 1sym h LYS 5 Ca -0.05 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1sym h LYS 5 Cb 0.40 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 1sym h LYS 5 CO 0.09 0.32 0.00 0.00 -2.81 0.00 0.00 179.45 177.05 1sym n ALA 6 N -2.49 0.00 -0.13 5.00 0.00 -0.48 -1.89 120.51 120.52 1sym n ALA 6 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 1sym n ALA 6 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 1sym n ALA 6 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1sym h MET 7 N 0.00 -0.25 -0.44 0.00 1.85 -0.45 0.35 114.93 115.99 1sym h MET 7 Ca 0.00 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 1sym h MET 7 Cb 0.00 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 1sym h MET 7 CO 0.00 -0.17 0.27 0.28 -0.40 0.00 0.00 176.91 176.89 1sym h VAL 8 N -0.26 1.12 -0.46 -5.77 2.07 -0.86 -0.36 116.25 111.72 1sym h VAL 8 Ca 0.17 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1sym h VAL 8 Cb 0.55 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1sym h VAL 8 CO -0.56 0.12 0.31 0.00 0.02 0.00 0.00 177.57 177.45 1sym h ALA 9 N 1.71 1.69 -0.89 1.67 0.00 0.37 -0.89 119.26 122.90 1sym h ALA 9 Ca 0.16 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1sym h ALA 9 Cb -0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 1sym h ALA 9 CO -0.03 0.29 0.56 -0.07 0.00 0.00 0.00 179.25 180.00 1sym h LEU 10 N 0.61 0.90 -1.50 0.00 3.38 0.24 0.76 115.31 119.69 1sym h LEU 10 Ca 0.17 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1sym h LEU 10 Cb -0.05 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1sym h LEU 10 CO -0.04 0.58 0.38 0.40 0.09 0.00 0.00 178.44 179.85 1sym h ILE 11 N 1.04 1.07 0.19 1.22 5.03 -1.15 -2.33 117.51 122.57 1sym h ILE 11 Ca 0.38 -0.22 -0.01 0.00 -0.12 0.00 0.00 64.86 64.89 1sym h ILE 11 Cb 0.14 0.36 0.00 0.00 -3.03 0.00 0.00 36.82 34.29 1sym h ILE 11 CO -0.16 0.12 -0.09 -0.78 -0.68 0.00 0.00 178.15 176.55 1sym h ASP 12 N 0.65 -0.22 -1.21 1.72 1.82 -0.74 -2.37 116.42 116.08 1sym h ASP 12 Ca 0.23 -0.09 0.39 0.00 -0.39 0.00 0.00 57.03 57.17 1sym h ASP 12 Cb 0.10 0.06 -0.13 0.00 0.68 0.00 0.00 39.33 40.04 1sym h ASP 12 CO -0.06 -0.05 0.76 0.58 -1.61 0.00 0.00 179.24 178.86 1sym h VAL 13 N -0.39 0.22 -0.23 2.25 2.07 -0.97 0.59 116.25 119.79 1sym h VAL 13 Ca -0.03 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1sym h VAL 13 Cb 0.30 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1sym h VAL 13 CO 0.04 0.03 0.10 0.15 0.02 0.00 0.00 177.57 177.92 1sym h PHE 14 N 0.17 0.34 0.00 1.57 3.04 -1.37 -1.07 116.94 119.63 1sym h PHE 14 Ca 0.77 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.70 1sym h PHE 14 Cb 2.23 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 40.64 1sym h PHE 14 CO -0.01 0.35 0.00 1.58 -2.02 0.00 0.00 178.31 178.21 1sym n HIS 15 N -4.82 0.00 -0.07 0.41 -0.00 0.20 -1.71 115.22 109.22 1sym n HIS 15 Ca -0.03 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.93 1sym n HIS 15 Cb 0.11 -0.10 -0.12 0.00 -0.12 0.00 0.00 29.99 29.76 1sym n HIS 15 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1sym n GLN 16 N -1.10 0.65 -0.07 1.57 -0.06 -0.46 -3.41 117.38 114.50 1sym n GLN 16 Ca 0.13 0.36 -0.08 0.00 -2.00 0.00 0.00 57.00 55.41 1sym n GLN 16 Cb 0.10 -1.67 -0.04 0.00 -4.06 0.00 0.00 30.24 24.58 1sym n GLN 16 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 1sym h TYR 17 N -0.46 0.00 0.00 3.69 -1.99 -1.34 -3.37 116.97 113.51 1sym h TYR 17 Ca -0.46 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.24 1sym h TYR 17 Cb 1.71 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.43 1sym h TYR 17 CO 0.05 0.37 -0.12 1.03 -0.00 0.00 0.00 178.16 179.49 1sym h SER 18 N -1.00 0.00 -0.23 3.88 0.87 -1.57 -1.98 113.55 113.52 1sym h SER 18 Ca -0.07 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.55 1sym h SER 18 Cb 0.62 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1sym h SER 18 CO -0.04 0.12 0.22 1.23 -0.53 0.00 0.00 176.83 177.83 1sym h GLY 19 N 0.69 0.00 0.00 5.77 0.00 -1.57 -3.07 103.07 104.88 1sym h GLY 19 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sym h GLY 19 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.10 1sym n ARG 20 N -3.94 0.00 0.00 4.80 1.74 -0.74 -4.62 116.66 113.89 1sym n ARG 20 Ca 0.03 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1sym n ARG 20 Cb 0.36 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 1sym n ARG 20 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sym n GLU 21 N -1.08 -0.69 -0.02 5.56 -0.58 -1.19 -4.93 120.64 117.71 1sym n GLU 21 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1sym n GLU 21 Cb 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.73 1sym n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sym n GLY 22 N 0.00 -0.85 0.34 0.62 0.00 -1.26 -4.36 105.19 99.68 1sym n GLY 22 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1sym n GLY 22 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1sym h ASP 23 N 0.02 -1.24 -1.80 1.61 2.03 -1.92 -3.44 116.42 111.68 1sym h ASP 23 Ca -0.34 0.14 -0.35 0.00 -0.73 0.00 0.00 57.03 55.76 1sym h ASP 23 Cb 2.03 0.48 -0.10 0.00 -0.83 0.00 0.00 39.33 40.90 1sym h ASP 23 CO 0.08 -0.37 -0.35 0.29 -1.03 0.00 0.00 179.24 177.86 1sym n LYS 24 N -4.65 -1.53 -0.02 4.15 5.02 -1.17 -4.69 118.16 115.27 1sym n LYS 24 Ca -0.05 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1sym n LYS 24 Cb 0.28 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 29.93 1sym n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1sym n HIS 25 N -2.58 0.00 -3.70 2.13 8.25 -1.26 -4.77 115.22 113.28 1sym n HIS 25 Ca -0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.17 1sym n HIS 25 Cb 0.59 0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.60 1sym n HIS 25 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1sym s LYS 26 N 0.00 0.36 0.00 -0.41 -2.85 -1.26 -4.74 119.74 110.83 1sym s LYS 26 Ca 0.00 0.73 0.00 0.00 -1.00 0.00 0.00 55.97 55.70 1sym s LYS 26 Cb 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.73 1sym s LYS 26 CO 0.00 -0.16 0.00 1.28 0.10 0.00 0.00 175.35 176.57 1sym n LEU 27 N 4.23 0.00 -4.00 2.77 4.77 -1.10 -4.86 117.00 118.81 1sym n LEU 27 Ca -0.24 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.65 1sym n LEU 27 Cb 0.55 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 1sym n LEU 27 CO 0.09 0.00 0.13 -0.54 -1.33 0.00 0.00 177.39 175.75 1sym s LYS 28 N 3.10 1.48 0.46 3.23 1.02 -1.26 -1.50 119.74 126.27 1sym s LYS 28 Ca 0.00 -1.25 0.25 0.00 0.02 0.00 0.00 55.97 54.99 1sym s LYS 28 Cb 0.00 0.45 0.55 0.00 -0.52 0.00 0.00 37.83 38.31 1sym s LYS 28 CO 0.00 -0.60 1.69 1.57 -0.92 0.00 0.00 175.35 177.09 1sym h LYS 29 N 2.30 0.00 0.14 1.68 2.10 -1.70 -0.94 116.57 120.15 1sym h LYS 29 Ca -0.27 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.18 1sym h LYS 29 Cb 1.25 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.60 1sym h LYS 29 CO 0.38 0.00 -0.84 0.77 -2.00 0.00 0.00 179.45 177.76 1sym h SER 30 N 0.00 0.49 1.57 7.07 0.02 -1.56 -1.35 113.55 119.78 1sym h SER 30 Ca 0.00 -0.95 0.00 0.00 -0.84 0.00 0.00 61.79 60.00 1sym h SER 30 Cb 0.90 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1sym h SER 30 CO 0.00 1.40 0.00 -0.08 -1.14 0.00 0.00 176.83 177.01 1sym h GLU 31 N -0.34 0.00 0.22 3.45 4.81 -1.85 -2.97 114.58 117.90 1sym h GLU 31 Ca -0.15 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.78 1sym h GLU 31 Cb 1.66 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.07 1sym h GLU 31 CO 0.16 0.00 -1.32 1.25 -0.73 0.00 0.00 179.01 178.36 1sym h LEU 32 N 0.00 0.74 -0.65 1.64 5.85 -1.18 -0.48 115.31 121.23 1sym h LEU 32 Ca 0.00 -0.93 0.06 0.00 0.84 0.00 0.00 57.88 57.85 1sym h LEU 32 Cb 0.78 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1sym h LEU 32 CO 0.00 1.64 0.36 0.50 -0.34 0.00 0.00 178.44 180.59 1sym h LYS 33 N 0.01 0.64 -0.27 1.25 3.64 -1.16 -0.90 116.57 119.78 1sym h LYS 33 Ca -0.23 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 58.92 1sym h LYS 33 Cb 2.03 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.71 1sym h LYS 33 CO 0.24 0.42 -0.57 1.05 -2.27 0.00 0.00 179.45 178.32 1sym h GLU 34 N 0.66 0.84 -0.88 1.90 4.11 -1.57 -1.93 114.58 117.71 1sym h GLU 34 Ca 0.29 -0.55 0.20 0.00 0.07 0.00 0.00 59.36 59.38 1sym h GLU 34 Cb 0.19 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.39 1sym h GLU 34 CO -0.18 1.18 0.38 1.25 0.07 0.00 0.00 179.01 181.70 1sym h LEU 35 N 0.63 0.33 0.00 3.06 7.12 0.24 1.30 115.31 127.99 1sym h LEU 35 Ca 0.01 0.14 -0.00 0.00 0.13 0.00 0.00 57.88 58.16 1sym h LEU 35 Cb 1.18 0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 41.43 1sym h LEU 35 CO 0.12 0.03 -0.04 0.40 -0.13 0.00 0.00 178.44 178.82 1sym h ILE 36 N 0.42 0.29 0.42 4.05 2.04 -1.17 -3.14 117.51 120.43 1sym h ILE 36 Ca 0.53 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1sym h ILE 36 Cb 0.97 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1sym h ILE 36 CO -0.50 0.10 -0.20 -1.13 0.00 0.00 0.00 178.15 176.41 1sym h ASN 37 N -1.00 -0.48 -0.79 1.72 -0.73 -1.09 0.17 115.58 113.38 1sym h ASN 37 Ca -0.00 0.02 0.14 0.00 1.87 0.00 0.00 56.30 58.33 1sym h ASN 37 Cb 0.20 0.12 -0.14 0.00 0.27 0.00 0.00 38.32 38.77 1sym h ASN 37 CO -0.00 -0.19 -0.29 -1.13 -0.37 0.00 0.00 177.43 175.45 1sym h ASN 38 N -0.88 -1.04 0.00 1.15 -1.24 0.15 -3.00 115.58 110.72 1sym h ASN 38 Ca -0.06 0.26 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1sym h ASN 38 Cb 0.43 0.59 0.00 0.00 0.73 0.00 0.00 38.32 40.07 1sym h ASN 38 CO 0.09 -0.29 0.00 -0.62 -1.29 0.00 0.00 177.43 175.33 1sym n GLU 39 N -5.49 0.00 0.00 6.67 -0.58 -0.93 -4.80 120.64 115.51 1sym n GLU 39 Ca 0.09 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1sym n GLU 39 Cb 0.39 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.72 1sym n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1sym n LEU 40 N -0.56 0.00 -1.41 -4.62 4.77 0.47 -4.70 117.00 110.95 1sym n LEU 40 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1sym n LEU 40 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1sym n LEU 40 CO 0.00 0.00 -0.13 -0.24 -1.33 0.00 0.00 177.39 175.69 1sym n SER 41 N 0.00 -3.47 -0.03 -1.43 2.88 -0.50 -4.74 113.62 106.33 1sym n SER 41 Ca 0.00 0.32 -0.01 0.00 -1.33 0.00 0.00 58.87 57.85 1sym n SER 41 Cb 0.00 -3.24 -0.14 0.00 -0.75 0.00 0.00 64.21 60.08 1sym n SER 41 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1sym n HIS 42 N -1.91 0.36 -2.71 0.66 -0.00 -1.26 -4.44 115.22 105.92 1sym n HIS 42 Ca -0.13 0.12 -0.29 0.00 -0.00 0.00 0.00 57.72 57.42 1sym n HIS 42 Cb 0.44 -0.91 -0.02 0.00 -0.00 0.00 0.00 29.99 29.50 1sym n HIS 42 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1sym n PHE 43 N -2.68 3.68 -2.83 1.57 3.72 -1.26 -4.80 117.46 114.86 1sym n PHE 43 Ca -0.18 -3.49 -0.18 0.00 -0.05 0.00 0.00 57.45 53.55 1sym n PHE 43 Cb 0.90 -0.45 -0.00 0.00 -0.94 0.00 0.00 39.48 38.99 1sym n PHE 43 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1sym n LEU 44 N -0.33 2.36 0.00 4.37 7.94 -1.26 -4.43 117.00 125.65 1sym n LEU 44 Ca 0.36 -4.69 0.00 0.00 -1.11 0.00 0.00 56.01 50.57 1sym n LEU 44 Cb 0.46 0.19 0.00 0.00 0.53 0.00 0.00 43.42 44.60 1sym n LEU 44 CO 0.36 2.03 0.00 -0.62 -1.11 0.00 0.00 177.39 178.05 1sym n GLU 45 N -0.07 0.00 -0.03 1.96 1.02 -1.26 -4.80 120.64 117.46 1sym n GLU 45 Ca 0.23 0.01 0.02 0.00 -0.02 0.00 0.00 57.16 57.40 1sym n GLU 45 Cb 0.68 -0.38 -0.14 0.00 -0.02 0.00 0.00 31.44 31.57 1sym n GLU 45 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sym n GLU 46 N -2.19 0.66 -2.26 3.49 1.02 -1.26 -5.07 120.64 115.02 1sym n GLU 46 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1sym n GLU 46 Cb 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1sym n GLU 46 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sym n ILE 47 N -2.57-13.14 -0.05 -3.67 5.41 -1.26 -4.95 119.36 99.13 1sym n ILE 47 Ca -0.15 3.12 -0.22 0.00 1.00 0.00 0.00 62.75 66.50 1sym n ILE 47 Cb 0.83 -5.94 -0.13 0.00 -0.71 0.00 0.00 39.64 33.69 1sym n ILE 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1sym n LYS 48 N 1.78 0.68 -1.84 0.38 0.00 -1.24 -4.38 118.16 113.54 1sym n LYS 48 Ca 0.00 0.36 -0.41 0.00 0.00 0.00 0.00 58.31 58.27 1sym n LYS 48 Cb 0.00 -1.70 -0.01 0.00 0.00 0.00 0.00 35.03 33.32 1sym n LYS 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1sym n GLU 49 N -3.84 3.76 -0.01 1.64 -0.58 -1.26 -4.72 120.64 115.63 1sym n GLU 49 Ca -0.34 -2.97 0.23 0.00 -0.42 0.00 0.00 57.16 53.66 1sym n GLU 49 Cb 0.91 -2.89 0.59 0.00 -0.57 0.00 0.00 31.44 29.48 1sym n GLU 49 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1sym h GLN 50 N 5.28 0.00 0.22 3.49 4.15 -1.92 0.27 115.11 126.59 1sym h GLN 50 Ca 0.65 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.77 1sym h GLN 50 Cb 0.45 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.17 1sym h GLN 50 CO 1.68 0.00 -1.33 1.49 -1.93 0.00 0.00 178.83 178.74 1sym h GLU 51 N 0.00 0.46 -0.16 1.69 4.81 -1.96 -1.16 114.58 118.27 1sym h GLU 51 Ca 0.30 -0.79 -0.06 0.00 -0.13 0.00 0.00 59.36 58.68 1sym h GLU 51 Cb 1.89 0.30 -0.00 0.00 0.63 0.00 0.00 28.75 31.56 1sym h GLU 51 CO -0.00 1.38 -0.12 0.28 -0.73 0.00 0.00 179.01 179.82 1sym h VAL 52 N -0.00 1.33 0.00 0.32 2.07 -0.89 0.14 116.25 119.22 1sym h VAL 52 Ca -0.24 -1.23 -0.16 0.00 0.82 0.00 0.00 66.70 65.90 1sym h VAL 52 Cb 2.02 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.56 1sym h VAL 52 CO 0.23 0.36 -0.76 0.58 0.02 0.00 0.00 177.57 178.01 1sym h VAL 53 N 0.01 1.54 0.00 2.57 2.07 -1.45 -2.81 116.25 118.18 1sym h VAL 53 Ca 0.03 -2.59 -0.01 0.00 0.82 0.00 0.00 66.70 64.95 1sym h VAL 53 Cb 0.62 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1sym h VAL 53 CO 0.03 0.74 -0.09 -0.78 0.02 0.00 0.00 177.57 177.49 1sym h ASP 54 N 0.00 0.00 0.06 0.57 3.58 -1.16 -1.20 116.42 118.27 1sym h ASP 54 Ca -0.01 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.24 1sym h ASP 54 Cb 1.34 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.41 1sym h ASP 54 CO 0.10 0.04 -0.82 0.50 -2.88 0.00 0.00 179.24 176.18 1sym h LYS 55 N 0.00 0.45 0.10 0.28 3.11 -0.55 -0.28 116.57 119.68 1sym h LYS 55 Ca -0.00 -0.56 -0.27 0.00 -2.81 0.00 0.00 60.65 57.00 1sym h LYS 55 Cb 1.03 0.18 0.01 0.00 -1.00 0.00 0.00 32.23 32.46 1sym h LYS 55 CO 0.01 1.21 -1.18 -0.39 -2.81 0.00 0.00 179.45 176.29 1sym h VAL 56 N -0.06 1.39 0.00 2.00 -1.51 -1.56 -2.84 116.25 113.67 1sym h VAL 56 Ca -0.12 -2.67 -0.04 0.00 -1.23 0.00 0.00 66.70 62.63 1sym h VAL 56 Cb 1.55 2.73 -0.01 0.00 -2.13 0.00 0.00 31.29 33.43 1sym h VAL 56 CO 0.16 0.80 -0.21 -0.03 -1.23 0.00 0.00 177.57 177.05 1sym h MET 57 N 0.19 0.00 0.03 5.19 1.85 -1.30 -1.08 114.93 119.81 1sym h MET 57 Ca -0.15 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.94 1sym h MET 57 Cb 1.86 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.89 1sym h MET 57 CO 0.21 0.21 -0.02 0.93 -0.40 0.00 0.00 176.91 177.85 1sym h GLU 58 N 0.00 -0.05 -0.22 0.39 5.08 -0.98 -1.56 114.58 117.25 1sym h GLU 58 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1sym h GLU 58 Cb 0.73 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1sym h GLU 58 CO 0.03 0.63 -0.12 1.15 -1.00 0.00 0.00 179.01 179.69 1sym h THR 59 N -0.82 1.20 0.29 1.13 2.02 -1.49 0.54 112.91 115.79 1sym h THR 59 Ca -0.00 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1sym h THR 59 Cb 0.69 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1sym h THR 59 CO 0.01 0.28 -0.14 -0.07 0.37 0.00 0.00 175.52 175.97 1sym h LEU 60 N 0.33 -0.33 -0.01 2.58 3.38 -1.20 -2.25 115.31 117.81 1sym h LEU 60 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1sym h LEU 60 Cb 0.42 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1sym h LEU 60 CO 0.02 -0.17 -0.01 -0.67 0.09 0.00 0.00 178.44 177.70 1sym n ASP 61 N -5.23 0.03 -0.18 -0.43 2.03 -0.59 -2.14 116.55 110.04 1sym n ASP 61 Ca -0.10 0.02 -0.10 0.00 0.52 0.00 0.00 54.79 55.13 1sym n ASP 61 Cb 0.20 -0.33 0.01 0.00 -0.72 0.00 0.00 41.12 40.28 1sym n ASP 61 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1sym h GLU 62 N 0.03 0.97 0.00 -0.67 4.81 0.71 -3.41 114.58 117.01 1sym h GLU 62 Ca 0.00 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1sym h GLU 62 Cb 0.35 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1sym h GLU 62 CO 0.00 1.02 -0.32 -3.47 -0.73 0.00 0.00 179.01 175.51 1sym n ASP 63 N -4.22 0.45 0.00 1.04 2.03 -1.20 -5.03 116.55 109.63 1sym n ASP 63 Ca 0.01 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1sym n ASP 63 Cb 0.38 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1sym n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sym n GLY 64 N 2.83 2.16 3.23 0.27 0.00 -0.91 -4.85 105.19 107.92 1sym n GLY 64 Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1sym n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sym s ASP 65 N 0.00 6.16 0.30 1.61 2.15 -1.26 -1.52 116.67 124.11 1sym s ASP 65 Ca 0.00 -2.85 -0.04 0.00 0.43 0.00 0.00 52.55 50.10 1sym s ASP 65 Cb 0.00 -2.06 -0.01 0.00 -0.30 0.00 0.00 42.92 40.55 1sym s ASP 65 CO 0.00 -0.46 0.42 -0.83 -0.17 0.00 0.00 175.17 174.13 1sym s GLY 66 N 1.44 1.35 -0.19 2.66 0.00 -1.26 -4.98 107.32 106.34 1sym s GLY 66 Ca 0.19 -1.45 -0.04 0.00 0.00 0.00 0.00 44.72 43.42 1sym s GLY 66 CO -0.07 -1.01 -0.04 -0.54 0.00 0.00 0.00 173.10 171.45 1sym s GLU 67 N -3.41 3.52 0.48 2.90 2.02 -1.26 -3.12 118.70 119.82 1sym s GLU 67 Ca 0.31 -0.58 0.07 0.00 0.02 0.00 0.00 54.97 54.79 1sym s GLU 67 Cb 0.01 -2.96 0.01 0.00 0.10 0.00 0.00 34.13 31.29 1sym s GLU 67 CO 0.17 0.02 0.44 0.00 0.02 0.00 0.00 175.26 175.92 1sym n ASP 69 N -1.71 2.54 -0.04 0.00 8.00 -1.26 -2.71 116.55 121.38 1sym n ASP 69 Ca 0.03 -2.34 -0.14 0.00 0.71 0.00 0.00 54.79 53.06 1sym n ASP 69 Cb 0.63 0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 41.72 1sym n ASP 69 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1sym h PHE 70 N 0.90 0.10 0.00 1.24 3.57 -1.99 -1.86 116.94 118.91 1sym h PHE 70 Ca -0.25 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.19 1sym h PHE 70 Cb 0.82 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 1sym h PHE 70 CO 0.00 0.78 -0.03 1.96 -2.23 0.00 0.00 178.31 178.79 1sym h GLN 71 N -0.60 0.00 0.02 1.11 4.20 -1.98 -0.07 115.11 117.78 1sym h GLN 71 Ca -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1sym h GLN 71 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1sym h GLN 71 CO 0.02 0.03 -0.01 0.93 -0.67 0.00 0.00 178.83 179.13 1sym h GLU 72 N 0.00 -0.02 0.00 1.46 5.08 -1.93 -1.99 114.58 117.18 1sym h GLU 72 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sym h GLU 72 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1sym h GLU 72 CO 0.00 0.53 -0.00 0.35 -1.00 0.00 0.00 179.01 178.89 1sym h PHE 73 N -0.99 0.00 0.10 4.33 3.04 -1.06 0.34 116.94 122.71 1sym h PHE 73 Ca -0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1sym h PHE 73 Cb 0.56 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.07 1sym h PHE 73 CO 0.15 0.00 -0.05 1.98 -2.02 0.00 0.00 178.31 178.37 1sym h MET 74 N 0.00 -0.13 0.00 1.11 4.05 -1.02 -2.35 114.93 116.59 1sym h MET 74 Ca -0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1sym h MET 74 Cb 0.02 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1sym h MET 74 CO 0.00 -0.09 0.00 0.00 0.23 0.00 0.00 176.91 177.05 1sym h ALA 75 N -1.05 1.00 0.16 0.39 0.00 -1.09 -1.96 119.26 116.71 1sym h ALA 75 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1sym h ALA 75 Cb 0.10 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.91 1sym h ALA 75 CO 0.02 0.00 -1.09 0.74 0.00 0.00 0.00 179.25 178.92 1sym h PHE 76 N 0.00 0.61 0.00 0.00 -1.00 -0.98 -3.11 116.94 112.46 1sym h PHE 76 Ca 0.00 -0.44 -0.07 0.00 2.81 0.00 0.00 57.97 60.27 1sym h PHE 76 Cb 0.11 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1sym h PHE 76 CO 0.00 1.42 -0.32 0.28 -1.61 0.00 0.00 178.31 178.08 1sym h VAL 77 N -0.25 0.76 0.05 -0.55 2.07 -0.83 -3.02 116.25 114.48 1sym h VAL 77 Ca -0.20 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 1sym h VAL 77 Cb 1.78 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 1sym h VAL 77 CO 0.15 0.31 -0.02 0.77 0.02 0.00 0.00 177.57 178.80 1sym h SER 78 N 0.00 -0.06 -0.78 0.57 4.64 -1.47 -2.57 113.55 113.88 1sym h SER 78 Ca -0.00 -0.60 0.04 0.00 -0.47 0.00 0.00 61.79 60.76 1sym h SER 78 Cb 0.84 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.90 1sym h SER 78 CO 0.04 0.67 0.49 0.00 -0.87 0.00 0.00 176.83 177.16 1sym h MET 79 N -0.88 0.91 -0.58 4.77 3.00 -1.61 -1.09 114.93 119.45 1sym h MET 79 Ca -0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 59.70 59.57 1sym h MET 79 Cb 0.65 -0.20 -0.02 0.00 0.00 0.00 0.00 31.60 32.02 1sym h MET 79 CO 0.01 0.60 0.09 -0.39 0.00 0.00 0.00 176.91 177.23 1sym h VAL 80 N 0.94 1.26 0.00 -0.10 -1.51 -1.63 -1.64 116.25 113.56 1sym h VAL 80 Ca 0.32 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1sym h VAL 80 Cb 0.07 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.00 1sym h VAL 80 CO -0.13 0.36 0.00 0.41 -1.23 0.00 0.00 177.57 176.98 1sym n THR 81 N -4.32 0.86 0.81 7.19 -1.04 -0.85 -1.84 114.28 115.09 1sym n THR 81 Ca 0.03 0.22 0.12 0.00 -2.04 0.00 0.00 64.05 62.37 1sym n THR 81 Cb 0.27 -1.09 0.13 0.00 -1.82 0.00 0.00 70.33 67.83 1sym n THR 81 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sym n THR 82 N -2.01 0.13 -1.11 12.58 -2.24 -0.47 -4.18 114.28 116.98 1sym n THR 82 Ca 0.03 -0.56 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 1sym n THR 82 Cb 0.22 1.37 0.28 0.00 -2.10 0.00 0.00 70.33 70.09 1sym n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sym n ALA 83 N 1.37 4.73 -1.76 6.98 0.00 -0.77 -4.94 120.51 126.13 1sym n ALA 83 Ca 0.15 -2.50 -0.42 0.00 0.00 0.00 0.00 53.44 50.67 1sym n ALA 83 Cb 0.59 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 1sym n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sym n HIS 85 N 2.44 0.00 -0.73 0.00 1.44 -1.26 -4.45 115.22 112.65 1sym n HIS 85 Ca 0.09 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.56 1sym n HIS 85 Cb 0.37 0.00 0.21 0.00 0.12 0.00 0.00 29.99 30.69 1sym n HIS 85 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1sym n GLU 86 N -0.11 -3.20 -3.85 -1.40 1.02 -1.26 -4.46 120.64 107.38 1sym n GLU 86 Ca 0.00 -1.36 -0.36 0.00 -0.02 0.00 0.00 57.16 55.43 1sym n GLU 86 Cb 0.00 -1.39 -0.13 0.00 -0.02 0.00 0.00 31.44 29.90 1sym n GLU 86 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1sym s PHE 87 N -2.41 3.41 -0.80 -0.32 5.36 -1.26 -4.76 117.98 117.21 1sym s PHE 87 Ca 0.57 -2.09 -0.01 0.00 -0.96 0.00 0.00 56.93 54.43 1sym s PHE 87 Cb -0.07 -2.60 -0.00 0.00 -0.34 0.00 0.00 43.02 40.01 1sym s PHE 87 CO 0.45 -0.87 0.69 1.19 -1.46 0.00 0.00 175.22 175.21 1sym n PHE 88 N 4.61 -2.64 0.17 10.12 3.01 -1.26 -4.90 117.46 126.57 1sym n PHE 88 Ca -0.08 1.00 0.00 0.00 1.01 0.00 0.00 57.45 59.38 1sym n PHE 88 Cb 0.43 -3.70 0.00 0.00 -0.01 0.00 0.00 39.48 36.20 1sym n PHE 88 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1sym n GLU 89 N -2.20 0.00 -1.22 -1.08 1.02 -1.26 -5.00 120.64 110.90 1sym n GLU 89 Ca -0.10 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.97 1sym n GLU 89 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.95 1sym n GLU 89 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1sym n HIS 90 N -3.29 0.00 -1.96 -0.32 -0.00 -1.26 -5.14 115.22 103.24 1sym n HIS 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1sym n HIS 90 Cb 0.00 -2.37 0.00 0.00 -0.00 0.00 0.00 29.99 27.62 1sym n HIS 90 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73