#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e0h n GLU 2 N 0.00 0.74 -3.49 3.17 0.00 -1.26 -5.04 120.64 114.76 1e0h n GLU 2 Ca 0.00 0.29 -0.15 0.00 0.00 0.00 0.00 57.16 57.30 1e0h n GLU 2 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 31.44 29.32 1e0h n GLU 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1e0h s LEU 3 N -1.58 -0.57 0.00 -1.84 1.43 -1.26 -4.97 118.68 109.89 1e0h s LEU 3 Ca 0.75 0.40 0.06 0.00 -1.03 0.00 0.00 54.13 54.30 1e0h s LEU 3 Cb -0.41 2.52 -0.02 0.00 0.03 0.00 0.00 46.19 48.31 1e0h s LEU 3 CO 0.49 -0.75 0.31 1.17 0.23 0.00 0.00 176.35 177.79 1e0h n LYS 4 N 0.38 0.45 0.05 1.70 3.00 -1.26 -5.03 118.16 117.46 1e0h n LYS 4 Ca -0.18 -3.17 0.00 0.00 -0.00 0.00 0.00 58.31 54.96 1e0h n LYS 4 Cb 0.60 2.68 -0.07 0.00 0.00 0.00 0.00 35.03 38.24 1e0h n LYS 4 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1e0h h HIS 5 N 2.04 0.00 -3.58 5.64 3.86 -2.01 -3.49 115.15 117.61 1e0h h HIS 5 Ca -0.24 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.88 1e0h h HIS 5 Cb 1.17 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.49 1e0h h HIS 5 CO 0.00 0.56 -0.31 -1.54 0.86 0.00 0.00 177.93 177.50 1e0h s SER 6 N -5.88 -0.00 0.00 2.45 1.04 -1.26 -4.99 113.70 105.05 1e0h s SER 6 Ca -0.02 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.00 1e0h s SER 6 Cb 0.09 0.35 0.13 0.00 0.10 0.00 0.00 66.02 66.68 1e0h s SER 6 CO 0.80 -0.68 0.48 0.00 0.98 0.00 0.00 173.24 174.83 1e0h n ILE 7 N 0.25 0.00 0.00 -1.02 3.06 -1.26 -3.08 119.36 117.31 1e0h n ILE 7 Ca -0.17 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.08 1e0h n ILE 7 Cb 0.61 -0.78 0.00 0.00 0.54 0.00 0.00 39.64 40.01 1e0h n ILE 7 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1e0h n SER 8 N -0.83 0.34 0.00 9.51 3.41 -1.23 -3.90 113.62 120.92 1e0h n SER 8 Ca 0.02 -0.02 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1e0h n SER 8 Cb 0.01 0.11 0.55 0.00 -0.26 0.00 0.00 64.21 64.62 1e0h n SER 8 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1e0h n ASP 9 N -0.14 0.00 -4.40 4.04 -0.08 -1.18 -4.50 116.55 110.30 1e0h n ASP 9 Ca 0.00 0.17 -0.26 0.00 -1.51 0.00 0.00 54.79 53.19 1e0h n ASP 9 Cb 0.00 -0.37 -0.12 0.00 2.34 0.00 0.00 41.12 42.97 1e0h n ASP 9 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1e0h s TYR 10 N -2.74 2.19 0.78 -0.67 1.13 -1.25 -5.00 117.35 111.79 1e0h s TYR 10 Ca 0.18 -0.38 -0.11 0.00 -1.41 0.00 0.00 57.07 55.35 1e0h s TYR 10 Cb 0.16 -1.11 0.07 0.00 -1.10 0.00 0.00 41.96 39.98 1e0h s TYR 10 CO 0.38 0.44 1.14 0.95 -2.51 0.00 0.00 175.55 175.95 1e0h s THR 11 N -1.63 2.22 0.30 -3.49 -4.23 -1.26 -3.01 115.64 104.54 1e0h s THR 11 Ca 0.18 0.01 0.22 0.00 -1.18 0.00 0.00 61.69 60.93 1e0h s THR 11 Cb -0.08 -3.06 0.21 0.00 1.34 0.00 0.00 72.50 70.92 1e0h s THR 11 CO 0.09 -0.07 1.91 -0.08 -0.54 0.00 0.00 174.62 175.92 1e0h h GLU 12 N -0.94 0.00 0.00 3.99 4.81 -1.90 -1.91 114.58 118.63 1e0h h GLU 12 Ca -0.46 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.58 1e0h h GLU 12 Cb 1.32 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1e0h h GLU 12 CO 0.65 0.24 -1.20 0.00 -0.73 0.00 0.00 179.01 177.96 1e0h h ALA 13 N 1.76 0.63 -0.47 2.92 0.00 -1.93 -2.33 119.26 119.85 1e0h h ALA 13 Ca -0.00 -0.91 0.03 0.00 0.00 0.00 0.00 54.91 54.02 1e0h h ALA 13 Cb 0.59 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1e0h h ALA 13 CO 0.03 1.07 0.26 1.49 0.00 0.00 0.00 179.25 182.10 1e0h h GLU 14 N 0.00 0.51 -0.02 0.00 4.81 -1.75 -0.35 114.58 117.77 1e0h h GLU 14 Ca -0.13 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 58.89 1e0h h GLU 14 Cb 1.67 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.92 1e0h h GLU 14 CO 0.07 0.34 -0.78 0.35 -0.73 0.00 0.00 179.01 178.26 1e0h h PHE 15 N 0.53 0.28 -0.53 0.92 3.57 -1.42 -1.09 116.94 119.19 1e0h h PHE 15 Ca 0.19 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1e0h h PHE 15 Cb 0.05 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1e0h h PHE 15 CO -0.08 0.90 0.28 1.25 -2.23 0.00 0.00 178.31 178.43 1e0h h LEU 16 N 0.12 0.67 -1.26 0.59 5.85 -0.95 -0.53 115.31 119.81 1e0h h LEU 16 Ca -0.03 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1e0h h LEU 16 Cb 1.37 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1e0h h LEU 16 CO 0.12 0.59 0.40 -0.61 -0.34 0.00 0.00 178.44 178.59 1e0h h GLN 17 N 0.71 0.90 -0.15 1.25 4.15 -0.98 -1.32 115.11 119.67 1e0h h GLN 17 Ca 0.19 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 1e0h h GLN 17 Cb 0.07 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 1e0h h GLN 17 CO -0.03 0.64 -0.11 1.25 -1.93 0.00 0.00 178.83 178.65 1e0h h LEU 18 N 0.92 0.36 -1.02 -2.39 7.12 -0.25 0.23 115.31 120.28 1e0h h LEU 18 Ca 0.24 -0.45 0.09 0.00 0.13 0.00 0.00 57.88 57.89 1e0h h LEU 18 Cb -0.03 -0.10 -0.07 0.00 -0.53 0.00 0.00 40.66 39.92 1e0h h LEU 18 CO -0.04 0.74 0.64 0.58 -0.13 0.00 0.00 178.44 180.22 1e0h h VAL 19 N -0.01 1.02 0.00 1.05 2.07 -0.79 0.59 116.25 120.18 1e0h h VAL 19 Ca 0.03 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1e0h h VAL 19 Cb 0.62 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1e0h h VAL 19 CO 0.03 0.20 -0.22 0.74 0.02 0.00 0.00 177.57 178.34 1e0h h THR 20 N 1.10 0.77 0.00 2.57 2.02 -0.72 0.23 112.91 118.88 1e0h h THR 20 Ca 0.46 -0.89 -0.09 0.00 0.77 0.00 0.00 66.41 66.66 1e0h h THR 20 Cb 0.31 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1e0h h THR 20 CO -0.21 0.21 -0.43 0.74 0.37 0.00 0.00 175.52 176.20 1e0h h THR 21 N 0.00 1.09 0.02 3.16 2.02 0.18 0.73 112.91 120.10 1e0h h THR 21 Ca -0.00 -1.62 -0.10 0.00 0.77 0.00 0.00 66.41 65.46 1e0h h THR 21 Cb 0.52 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 1e0h h THR 21 CO 0.03 0.43 -0.50 0.40 0.37 0.00 0.00 175.52 176.24 1e0h h ILE 22 N 0.00 1.48 0.00 3.11 2.04 -0.68 0.35 117.51 123.82 1e0h h ILE 22 Ca -0.00 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1e0h h ILE 22 Cb 0.90 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.99 1e0h h ILE 22 CO 0.06 0.54 0.00 0.00 0.00 0.00 0.00 178.15 178.75 1e0h n ASN 24 N -1.41 0.86 -3.83 0.00 5.15 0.25 -5.00 115.26 111.29 1e0h n ASN 24 Ca 0.01 -0.01 -0.27 0.00 -0.60 0.00 0.00 54.58 53.71 1e0h n ASN 24 Cb 0.03 0.79 0.03 0.00 -0.53 0.00 0.00 39.78 40.09 1e0h n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1e0h n ALA 25 N -2.70 -1.56 0.22 5.20 0.00 0.12 -4.87 120.51 116.91 1e0h n ALA 25 Ca -0.30 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.27 1e0h n ALA 25 Cb 1.05 -3.56 0.32 0.00 0.00 0.00 0.00 19.45 17.26 1e0h n ALA 25 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1e0h h ASP 26 N -2.03 0.00 -2.56 0.00 3.58 -1.74 -3.42 116.42 110.24 1e0h h ASP 26 Ca -0.59 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.86 1e0h h ASP 26 Cb 1.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.42 1e0h h ASP 26 CO 0.63 0.00 0.00 0.35 -2.88 0.00 0.00 179.24 177.34 1e0h n THR 27 N -2.21 0.00 0.18 2.25 -2.24 -1.26 -4.92 114.28 106.07 1e0h n THR 27 Ca -0.01 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.93 1e0h n THR 27 Cb 0.53 -1.36 0.57 0.00 -2.10 0.00 0.00 70.33 67.96 1e0h n THR 27 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1e0h h SER 28 N 0.00 0.00 0.00 3.42 4.64 -1.94 -3.45 113.55 116.22 1e0h h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1e0h h SER 28 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1e0h h SER 28 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1e0h n SER 29 N -3.09 0.00 0.00 4.97 7.64 -1.26 -4.80 113.62 117.08 1e0h n SER 29 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1e0h n SER 29 Cb 0.75 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 1e0h n SER 29 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1e0h n GLU 30 N -0.54 0.00 0.02 1.43 2.13 -1.26 -4.96 120.64 117.46 1e0h n GLU 30 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1e0h n GLU 30 Cb 0.00 -0.14 -0.00 0.00 0.27 0.00 0.00 31.44 31.57 1e0h n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1e0h n GLU 31 N 0.00 0.05 -0.34 5.31 2.13 -1.26 -3.53 120.64 123.00 1e0h n GLU 31 Ca 0.00 0.02 0.32 0.00 0.66 0.00 0.00 57.16 58.16 1e0h n GLU 31 Cb 0.22 -0.47 0.68 0.00 0.27 0.00 0.00 31.44 32.13 1e0h n GLU 31 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1e0h h GLU 32 N -0.10 0.11 0.23 5.31 4.39 -1.96 0.21 114.58 122.78 1e0h h GLU 32 Ca 0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1e0h h GLU 32 Cb 0.10 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1e0h h GLU 32 CO 0.00 0.07 -0.18 -0.07 -1.16 0.00 0.00 179.01 177.67 1e0h h LEU 33 N 0.11 -0.48 -2.02 1.33 3.38 -1.93 0.73 115.31 116.43 1e0h h LEU 33 Ca 0.60 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.73 1e0h h LEU 33 Cb 2.11 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 43.00 1e0h h LEU 33 CO -0.11 -0.26 0.41 0.58 0.09 0.00 0.00 178.44 179.15 1e0h h VAL 34 N -0.40 0.51 0.00 1.22 2.07 -1.36 0.43 116.25 118.72 1e0h h VAL 34 Ca -0.03 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.29 1e0h h VAL 34 Cb 0.33 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1e0h h VAL 34 CO 0.00 0.00 -1.01 0.50 0.02 0.00 0.00 177.57 177.08 1e0h h LYS 35 N 0.00 0.00 0.00 1.57 3.64 -0.14 0.66 116.57 122.31 1e0h h LYS 35 Ca 0.22 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.42 1e0h h LYS 35 Cb 1.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1e0h h LYS 35 CO -0.00 0.83 -0.83 -0.07 -2.27 0.00 0.00 179.45 177.10 1e0h h LEU 36 N 0.00 0.01 -0.26 5.20 3.38 0.20 0.16 115.31 123.99 1e0h h LEU 36 Ca -0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1e0h h LEU 36 Cb 1.72 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 1e0h h LEU 36 CO 0.11 0.84 0.08 -0.37 0.09 0.00 0.00 178.44 179.18 1e0h h VAL 37 N 0.00 1.20 -0.50 1.22 -1.51 0.20 -1.02 116.25 115.84 1e0h h VAL 37 Ca -0.01 -0.65 -0.11 0.00 -1.23 0.00 0.00 66.70 64.71 1e0h h VAL 37 Cb 1.47 1.14 -0.02 0.00 -2.13 0.00 0.00 31.29 31.75 1e0h h VAL 37 CO 0.11 0.21 -0.10 0.74 -1.23 0.00 0.00 177.57 177.30 1e0h h THR 38 N 0.25 1.27 0.00 7.19 2.02 -0.85 0.41 112.91 123.20 1e0h h THR 38 Ca 0.08 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 1e0h h THR 38 Cb 0.25 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1e0h h THR 38 CO -0.00 0.43 -0.00 -0.74 0.37 0.00 0.00 175.52 175.58 1e0h h HIS 39 N 0.81 0.00 0.47 3.16 6.17 -0.80 0.23 115.15 125.18 1e0h h HIS 39 Ca 0.13 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.19 1e0h h HIS 39 Cb 0.65 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.59 1e0h h HIS 39 CO 0.05 0.00 -0.23 0.35 0.71 0.00 0.00 177.93 178.81 1e0h h PHE 40 N 0.00 -0.59 -0.92 5.26 3.04 0.44 -2.79 116.94 121.38 1e0h h PHE 40 Ca -0.00 -0.01 0.26 0.00 3.98 0.00 0.00 57.97 62.19 1e0h h PHE 40 Cb 0.01 0.19 -0.17 0.00 2.56 0.00 0.00 35.95 38.54 1e0h h PHE 40 CO 0.00 -0.37 0.03 0.39 -2.02 0.00 0.00 178.31 176.35 1e0h n GLU 41 N -4.81 -0.07 -0.02 1.11 1.02 -0.78 -1.48 120.64 115.61 1e0h n GLU 41 Ca -0.08 1.37 -0.13 0.00 -0.02 0.00 0.00 57.16 58.31 1e0h n GLU 41 Cb 0.25 -2.19 -0.09 0.00 -0.02 0.00 0.00 31.44 29.39 1e0h n GLU 41 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1e0h h GLU 42 N 0.00 0.07 0.05 3.49 4.57 -0.67 -3.38 114.58 118.69 1e0h h GLU 42 Ca 0.57 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.71 1e0h h GLU 42 Cb 1.18 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1e0h h GLU 42 CO -0.86 0.49 -0.02 0.52 -1.18 0.00 0.00 179.01 177.96 1e0h h MET 43 N -0.36 -0.06 -0.13 1.92 2.86 -0.97 -3.34 114.93 114.86 1e0h h MET 43 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1e0h h MET 43 Cb 0.47 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1e0h h MET 43 CO 0.01 0.36 0.00 -2.37 1.06 0.00 0.00 176.91 175.96 1e0h n THR 44 N -4.91 0.15 -1.86 2.22 5.66 -1.17 -4.24 114.28 110.11 1e0h n THR 44 Ca -0.08 -0.43 -0.14 0.00 -3.05 0.00 0.00 64.05 60.34 1e0h n THR 44 Cb 0.23 0.82 -0.04 0.00 -1.55 0.00 0.00 70.33 69.80 1e0h n THR 44 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1e0h n GLU 45 N 0.77 -1.67 -3.14 1.09 1.02 -1.25 -4.88 120.64 112.58 1e0h n GLU 45 Ca 0.17 0.76 -0.39 0.00 -0.02 0.00 0.00 57.16 57.68 1e0h n GLU 45 Cb 0.46 -5.18 -0.05 0.00 -0.02 0.00 0.00 31.44 26.65 1e0h n GLU 45 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1e0h s HIS 46 N -2.41 3.67 0.10 -0.32 2.46 -1.26 -4.96 115.29 112.56 1e0h s HIS 46 Ca 0.00 1.25 -0.09 0.00 0.47 0.00 0.00 55.06 56.69 1e0h s HIS 46 Cb 0.00 -2.68 0.08 0.00 -0.13 0.00 0.00 32.58 29.85 1e0h s HIS 46 CO 0.00 0.28 0.71 -2.30 -2.47 0.00 0.00 174.74 170.96 1e0h n PRO 47 N 2.97 -0.13 -0.57 2.88 -0.02 -1.26 -1.81 135.00 137.06 1e0h n PRO 47 Ca -0.05 0.71 0.03 0.00 -2.02 0.00 0.00 63.50 62.17 1e0h n PRO 47 Cb 0.51 -1.05 0.20 0.00 -0.02 0.00 0.00 33.50 33.14 1e0h n PRO 47 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1e0h n SER 48 N -4.66 2.26 -0.19 2.55 7.64 -1.26 -4.81 113.62 115.15 1e0h n SER 48 Ca 0.04 -3.66 -0.05 0.00 1.01 0.00 0.00 58.87 56.21 1e0h n SER 48 Cb 0.17 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 62.77 1e0h n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1e0h n GLY 49 N -1.12 -1.29 0.00 0.23 0.00 -0.75 0.50 105.19 102.76 1e0h n GLY 49 Ca 0.24 0.56 0.06 0.00 0.00 0.00 0.00 46.02 46.88 1e0h n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1e0h n SER 50 N -4.47 0.00 0.00 1.61 7.64 -1.26 -3.54 113.62 113.60 1e0h n SER 50 Ca 0.01 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.50 1e0h n SER 50 Cb 0.12 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1e0h n SER 50 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1e0h n ASP 51 N -1.01 1.64 -2.50 6.43 8.00 0.59 -4.81 116.55 124.90 1e0h n ASP 51 Ca 0.10 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.33 1e0h n ASP 51 Cb 0.05 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 1e0h n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1e0h n LEU 52 N -1.88 6.47 0.00 0.64 -0.00 0.18 -0.70 117.00 121.71 1e0h n LEU 52 Ca 0.00 -4.06 0.00 0.00 -0.00 0.00 0.00 56.01 51.95 1e0h n LEU 52 Cb 0.20 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 1e0h n LEU 52 CO 0.00 1.74 0.04 -0.38 -0.00 0.00 0.00 177.39 178.79 1e0h n ILE 53 N 0.92 0.00 0.00 1.47 2.08 -1.26 -4.69 119.36 117.88 1e0h n ILE 53 Ca 0.49 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 63.55 1e0h n ILE 53 Cb 0.55 1.17 0.00 0.00 -0.75 0.00 0.00 39.64 40.61 1e0h n ILE 53 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1e0h n TYR 54 N -0.33 0.00 -0.09 1.39 0.18 -1.02 -5.00 117.16 112.29 1e0h n TYR 54 Ca 0.00 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.64 1e0h n TYR 54 Cb 0.04 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 38.96 1e0h n TYR 54 CO 0.00 0.00 0.00 1.88 -2.08 0.00 0.00 176.86 176.66 1e0h h TYR 55 N 0.00 0.95 -3.27 -3.48 -1.99 -1.26 -3.46 116.97 104.46 1e0h h TYR 55 Ca 0.00 -0.31 -0.43 0.00 2.00 0.00 0.00 58.73 59.99 1e0h h TYR 55 Cb 0.00 -0.19 0.21 0.00 2.00 0.00 0.00 36.73 38.75 1e0h h TYR 55 CO 0.00 1.09 0.02 -1.25 -0.00 0.00 0.00 178.16 178.02 1e0h s PRO 56 N -4.25 -0.95 0.00 4.88 0.04 -1.25 -4.74 135.00 128.74 1e0h s PRO 56 Ca -0.12 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1e0h s PRO 56 Cb 0.09 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 33.08 1e0h s PRO 56 CO 0.85 -3.72 0.00 1.17 0.04 0.00 0.00 177.00 175.34 1e0h n LYS 57 N -4.90 0.00 0.00 4.56 4.81 -0.19 -4.81 118.16 117.63 1e0h n LYS 57 Ca 0.03 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.58 1e0h n LYS 57 Cb 0.55 0.00 0.19 0.00 0.02 0.00 0.00 35.03 35.79 1e0h n LYS 57 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1e0h n GLU 58 N 0.00 0.01 -0.34 1.64 4.07 -1.26 -3.71 120.64 121.05 1e0h n GLU 58 Ca 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1e0h n GLU 58 Cb 0.00 -1.50 -0.00 0.00 -0.06 0.00 0.00 31.44 29.87 1e0h n GLU 58 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1e0h n GLY 59 N 1.50 0.65 2.85 8.31 0.00 -1.26 -5.14 105.19 112.11 1e0h n GLY 59 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1e0h n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e0h s ASP 60 N -0.01 1.09 -0.53 1.61 1.01 -1.24 -5.09 116.67 113.51 1e0h s ASP 60 Ca 0.00 -0.11 -0.26 0.00 0.71 0.00 0.00 52.55 52.89 1e0h s ASP 60 Cb 0.00 -0.43 -0.06 0.00 1.01 0.00 0.00 42.92 43.43 1e0h s ASP 60 CO 0.00 -0.10 2.31 -0.62 0.21 0.00 0.00 175.17 176.97 1e0h s ASP 61 N 1.22 4.56 0.00 0.27 2.15 -1.26 -1.03 116.67 122.57 1e0h s ASP 61 Ca -0.06 0.88 0.00 0.00 0.43 0.00 0.00 52.55 53.80 1e0h s ASP 61 Cb -0.14 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1e0h s ASP 61 CO -0.02 -2.85 0.00 -0.90 -0.17 0.00 0.00 175.17 171.24 1e0h n ASP 62 N 15.50 0.01 -4.60 -0.34 5.75 -1.26 -2.29 116.55 129.32 1e0h n ASP 62 Ca 0.34 -0.20 -0.30 0.00 -0.01 0.00 0.00 54.79 54.63 1e0h n ASP 62 Cb 0.54 0.35 0.20 0.00 -1.03 0.00 0.00 41.12 41.18 1e0h n ASP 62 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1e0h s SER 63 N -0.35 2.08 0.00 -1.12 0.01 -1.26 -4.11 113.70 108.95 1e0h s SER 63 Ca 0.00 1.93 0.00 0.00 1.31 0.00 0.00 55.95 59.19 1e0h s SER 63 Cb 0.00 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1e0h s SER 63 CO 0.00 -3.58 0.78 -2.65 0.41 0.00 0.00 173.24 168.19 1e0h n PRO 64 N -4.53 0.00 -0.07 12.44 -0.02 -1.26 -0.33 135.00 141.23 1e0h n PRO 64 Ca 0.08 0.30 -0.07 0.00 -2.02 0.00 0.00 63.50 61.79 1e0h n PRO 64 Cb 0.53 -1.63 -0.02 0.00 -0.02 0.00 0.00 33.50 32.35 1e0h n PRO 64 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1e0h n SER 65 N -1.28 1.61 -0.34 2.55 3.41 -1.26 -4.17 113.62 114.14 1e0h n SER 65 Ca 0.00 0.27 0.21 0.00 -0.26 0.00 0.00 58.87 59.09 1e0h n SER 65 Cb 0.13 -0.67 0.45 0.00 -0.26 0.00 0.00 64.21 63.87 1e0h n SER 65 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1e0h h GLY 66 N -0.78 1.69 0.92 5.00 0.00 -0.96 0.68 103.07 109.62 1e0h h GLY 66 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1e0h h GLY 66 CO 0.00 -0.26 0.12 0.16 0.00 0.00 0.00 176.54 176.55 1e0h h ILE 67 N 0.45 1.21 0.00 2.60 3.07 -0.66 0.43 117.51 124.61 1e0h h ILE 67 Ca 0.66 -0.66 -0.01 0.00 1.55 0.00 0.00 64.86 66.39 1e0h h ILE 67 Cb 1.47 0.97 -0.00 0.00 -0.27 0.00 0.00 36.82 38.99 1e0h h ILE 67 CO -0.44 0.23 -0.07 0.58 -1.05 0.00 0.00 178.15 177.40 1e0h h VAL 68 N 0.42 0.17 -0.00 0.16 2.07 -0.99 0.50 116.25 118.58 1e0h h VAL 68 Ca 0.11 -0.74 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 1e0h h VAL 68 Cb 0.24 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1e0h h VAL 68 CO -0.00 0.07 -0.56 0.78 0.02 0.00 0.00 177.57 177.87 1e0h h ASN 69 N 0.00 0.02 0.08 0.57 2.35 0.97 -2.07 115.58 117.48 1e0h h ASN 69 Ca -0.00 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.56 1e0h h ASN 69 Cb 0.63 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.99 1e0h h ASN 69 CO 0.01 0.57 -0.64 0.74 -1.65 0.00 0.00 177.43 176.47 1e0h h THR 70 N 0.01 1.33 -0.51 2.81 2.02 0.22 0.11 112.91 118.90 1e0h h THR 70 Ca -0.01 -1.93 -0.03 0.00 0.77 0.00 0.00 66.41 65.22 1e0h h THR 70 Cb 1.00 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1e0h h THR 70 CO 0.07 0.59 0.22 0.58 0.37 0.00 0.00 175.52 177.35 1e0h h VAL 71 N 0.39 1.21 0.00 3.16 2.07 -1.56 0.11 116.25 121.64 1e0h h VAL 71 Ca -0.01 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1e0h h VAL 71 Cb 1.20 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1e0h h VAL 71 CO 0.12 0.24 0.00 0.29 0.02 0.00 0.00 177.57 178.24 1e0h n LYS 72 N -4.56 0.09 0.00 1.57 4.01 0.34 0.70 118.16 120.32 1e0h n LYS 72 Ca 0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 1e0h n LYS 72 Cb 0.15 -1.42 0.00 0.00 -0.51 0.00 0.00 35.03 33.24 1e0h n LYS 72 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1e0h n GLN 73 N -0.92 0.00 0.28 1.97 6.02 -0.90 -3.75 117.38 120.08 1e0h n GLN 73 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.90 1e0h n GLN 73 Cb 0.01 -0.60 -0.05 0.00 1.02 0.00 0.00 30.24 30.62 1e0h n GLN 73 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 1e0h h TRP 74 N 0.00 -0.67 0.00 1.08 7.01 -0.44 0.17 115.95 123.10 1e0h h TRP 74 Ca 0.00 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1e0h h TRP 74 Cb 0.90 0.22 0.00 0.00 -2.10 0.00 0.00 29.16 28.19 1e0h h TRP 74 CO 0.00 -0.42 0.12 0.54 -2.79 0.00 0.00 178.44 175.89 1e0h n ARG 75 N -4.09 0.08 -0.02 2.65 1.74 0.22 0.25 116.66 117.48 1e0h n ARG 75 Ca -0.09 0.54 -0.03 0.00 -0.77 0.00 0.00 57.85 57.50 1e0h n ARG 75 Cb 0.29 -1.88 -0.13 0.00 -1.02 0.00 0.00 32.46 29.71 1e0h n ARG 75 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1e0h n ALA 76 N -1.59 1.85 -0.05 7.54 0.00 -1.03 0.82 120.51 128.05 1e0h n ALA 76 Ca -0.01 -0.83 -0.16 0.00 0.00 0.00 0.00 53.44 52.45 1e0h n ALA 76 Cb 0.14 -0.66 -0.14 0.00 0.00 0.00 0.00 19.45 18.79 1e0h n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1e0h n ALA 77 N -2.51 1.26 0.56 0.00 0.00 0.57 -2.91 120.51 117.47 1e0h n ALA 77 Ca -0.17 -0.87 0.12 0.00 0.00 0.00 0.00 53.44 52.52 1e0h n ALA 77 Cb 0.94 -0.52 0.45 0.00 0.00 0.00 0.00 19.45 20.32 1e0h n ALA 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1e0h n ASN 78 N -3.21 0.67 -2.15 0.00 5.15 0.14 -4.93 115.26 110.93 1e0h n ASN 78 Ca -0.31 0.60 -0.20 0.00 -0.60 0.00 0.00 54.58 54.07 1e0h n ASN 78 Cb 1.05 -0.77 -0.02 0.00 -0.53 0.00 0.00 39.78 39.51 1e0h n ASN 78 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1e0h n GLY 79 N 0.75 -0.06 0.36 8.20 0.00 -0.97 -4.85 105.19 108.62 1e0h n GLY 79 Ca 0.04 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1e0h n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1e0h n LYS 80 N -2.83 -0.17 0.00 1.61 4.76 0.24 -4.90 118.16 116.87 1e0h n LYS 80 Ca -0.23 1.49 0.00 0.00 -2.87 0.00 0.00 58.31 56.70 1e0h n LYS 80 Cb 0.68 -2.22 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 1e0h n LYS 80 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1e0h n SER 81 N -5.48 0.00 -0.23 4.39 3.41 -1.23 -4.96 113.62 109.52 1e0h n SER 81 Ca 0.12 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.70 1e0h n SER 81 Cb 0.43 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1e0h n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1e0h n GLY 82 N 0.00 0.60 0.00 5.00 0.00 -1.26 -4.99 105.19 104.54 1e0h n GLY 82 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1e0h n GLY 82 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1e0h n PHE 83 N -2.76 0.00 -3.97 1.61 3.72 -1.25 -3.58 117.46 111.23 1e0h n PHE 83 Ca -0.03 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.31 1e0h n PHE 83 Cb 0.18 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 1e0h n PHE 83 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1e0h n LYS 84 N 0.00 0.15 0.00 -1.08 4.81 -1.16 -4.84 118.16 116.04 1e0h n LYS 84 Ca 0.00 -0.97 0.00 0.00 -0.87 0.00 0.00 58.31 56.47 1e0h n LYS 84 Cb 0.00 0.84 0.00 0.00 0.02 0.00 0.00 35.03 35.89 1e0h n LYS 84 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1e0h n GLN 85 N -0.19 0.00 0.00 1.64 6.02 -1.26 -4.00 117.38 119.59 1e0h n GLN 85 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1e0h n GLN 85 Cb 0.18 -0.53 0.00 0.00 1.02 0.00 0.00 30.24 30.92 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46