#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 0.00 -4.23 0.03 4.71 -1.26 -4.94 120.64 114.95 1e0h n GLU 2 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 56.98 1e0h n GLU 2 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.32 1e0h n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1e0h s LEU 3 N 0.00 2.40 0.00 -4.62 1.43 -1.26 -4.87 118.68 111.76 1e0h s LEU 3 Ca 0.00 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.33 1e0h s LEU 3 Cb 0.00 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.69 1e0h s LEU 3 CO 0.00 -0.16 0.40 1.17 0.23 0.00 0.00 176.35 177.99 1e0h n LYS 4 N 0.56 0.57 0.20 1.70 3.00 -1.26 -5.01 118.16 117.93 1e0h n LYS 4 Ca -0.16 -3.14 0.09 0.00 -0.00 0.00 0.00 58.31 55.11 1e0h n LYS 4 Cb 0.57 2.79 0.26 0.00 0.00 0.00 0.00 35.03 38.65 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 2.07 0.00 -2.83 5.64 3.86 -2.01 -3.48 115.15 118.41 1e0h h HIS 5 Ca -0.26 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.90 1e0h h HIS 5 Cb 1.22 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.55 1e0h h HIS 5 CO 0.00 0.20 0.09 -1.54 0.86 0.00 0.00 177.93 177.54 1e0h s SER 6 N -6.21 -0.48 0.00 2.45 1.04 -1.26 -4.98 113.70 104.26 1e0h s SER 6 Ca 0.04 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1e0h s SER 6 Cb 0.07 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1e0h s SER 6 CO 0.67 -0.80 0.16 0.00 0.98 0.00 0.00 173.24 174.25 1e0h n ILE 7 N 0.16 0.00 0.00 -1.02 3.06 -1.25 -2.30 119.36 118.01 1e0h n ILE 7 Ca -0.18 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.07 1e0h n ILE 7 Cb 0.62 -0.25 0.00 0.00 0.54 0.00 0.00 39.64 40.55 1e0h n ILE 7 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1e0h n SER 8 N -0.05 0.00 -0.00 9.51 2.88 -1.26 -2.38 113.62 122.31 1e0h n SER 8 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1e0h n SER 8 Cb 0.03 0.00 0.82 0.00 -0.75 0.00 0.00 64.21 64.31 1e0h n SER 8 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1e0h n ASP 9 N -0.08 0.00 -3.91 -3.46 -0.08 -0.97 -4.65 116.55 103.40 1e0h n ASP 9 Ca 0.00 -1.14 -0.11 0.00 -1.51 0.00 0.00 54.79 52.03 1e0h n ASP 9 Cb 0.00 -0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 1e0h n ASP 9 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1e0h s TYR 10 N -2.00 0.08 0.89 -0.67 6.14 -1.24 -4.98 117.35 115.57 1e0h s TYR 10 Ca 0.41 -0.17 -0.13 0.00 0.64 0.00 0.00 57.07 57.83 1e0h s TYR 10 Cb 0.19 -0.07 0.16 0.00 0.42 0.00 0.00 41.96 42.67 1e0h s TYR 10 CO 0.32 -0.09 1.24 0.95 0.64 0.00 0.00 175.55 178.61 1e0h s THR 11 N -0.59 2.03 0.11 4.34 -4.23 -1.26 -3.09 115.64 112.96 1e0h s THR 11 Ca -0.06 -0.09 -0.18 0.00 -1.18 0.00 0.00 61.69 60.17 1e0h s THR 11 Cb -0.04 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.81 1e0h s THR 11 CO -0.00 0.00 1.65 -0.08 -0.54 0.00 0.00 174.62 175.65 1e0h h GLU 12 N -1.35 0.43 0.00 3.99 4.81 -1.92 -2.67 114.58 117.86 1e0h h GLU 12 Ca -0.44 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 58.67 1e0h h GLU 12 Cb 1.26 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1e0h h GLU 12 CO 0.44 0.46 -0.22 0.00 -0.73 0.00 0.00 179.01 178.96 1e0h h ALA 13 N 0.95 1.49 -0.47 2.92 0.00 -1.94 0.27 119.26 122.48 1e0h h ALA 13 Ca 0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1e0h h ALA 13 Cb 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1e0h h ALA 13 CO -0.01 0.27 0.00 1.49 0.00 0.00 0.00 179.25 181.01 1e0h h GLU 14 N 0.00 0.78 0.00 0.00 4.81 -1.89 0.23 114.58 118.51 1e0h h GLU 14 Ca -0.00 -0.21 -0.25 0.00 -0.13 0.00 0.00 59.36 58.77 1e0h h GLU 14 Cb 0.43 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.73 1e0h h GLU 14 CO 0.03 0.78 -1.00 0.35 -0.73 0.00 0.00 179.01 178.44 1e0h h PHE 15 N 0.73 0.84 -0.37 0.92 3.04 -0.76 -3.08 116.94 118.27 1e0h h PHE 15 Ca 0.14 -0.46 -0.12 0.00 3.98 0.00 0.00 57.97 61.51 1e0h h PHE 15 Cb 0.44 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1e0h h PHE 15 CO 0.02 1.29 -0.25 1.25 -2.02 0.00 0.00 178.31 178.60 1e0h h LEU 16 N 0.32 0.77 -1.24 0.59 5.85 0.09 -0.49 115.31 121.21 1e0h h LEU 16 Ca -0.11 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 1e0h h LEU 16 Cb 1.65 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1e0h h LEU 16 CO 0.19 0.99 -0.11 0.06 -0.34 0.00 0.00 178.44 179.23 1e0h h GLN 17 N 0.65 0.39 0.06 1.25 3.07 -1.11 -1.76 115.11 117.67 1e0h h GLN 17 Ca 0.09 -0.10 -0.00 0.00 0.09 0.00 0.00 58.65 58.72 1e0h h GLN 17 Cb 0.76 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.28 1e0h h GLN 17 CO 0.06 0.51 -0.03 1.25 0.09 0.00 0.00 178.83 180.71 1e0h h LEU 18 N 0.37 -0.06 -0.69 0.06 6.46 -1.05 0.31 115.31 120.72 1e0h h LEU 18 Ca 0.07 -0.39 0.09 0.00 -0.12 0.00 0.00 57.88 57.53 1e0h h LEU 18 Cb 0.42 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.30 1e0h h LEU 18 CO 0.02 0.37 0.33 0.58 -0.62 0.00 0.00 178.44 179.13 1e0h h VAL 19 N -0.51 0.85 -0.73 1.05 2.07 -1.08 -0.67 116.25 117.23 1e0h h VAL 19 Ca -0.01 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1e0h h VAL 19 Cb 0.45 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1e0h h VAL 19 CO 0.01 0.11 0.31 0.74 0.02 0.00 0.00 177.57 178.76 1e0h h THR 20 N 0.58 1.24 -0.01 2.57 2.02 -1.05 0.21 112.91 118.47 1e0h h THR 20 Ca 0.34 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1e0h h THR 20 Cb 0.35 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1e0h h THR 20 CO -0.26 0.30 0.01 0.74 0.37 0.00 0.00 175.52 176.67 1e0h h THR 21 N 1.04 0.91 0.07 3.16 2.02 0.12 0.24 112.91 120.47 1e0h h THR 21 Ca 0.25 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 67.13 1e0h h THR 21 Cb 0.16 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1e0h h THR 21 CO -0.03 0.00 -1.58 0.40 0.37 0.00 0.00 175.52 174.69 1e0h h ILE 22 N 0.00 0.83 0.00 3.11 2.04 -0.58 0.30 117.51 123.20 1e0h h ILE 22 Ca 0.01 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1e0h h ILE 22 Cb 0.02 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1e0h h ILE 22 CO -0.00 0.63 0.00 0.00 0.00 0.00 0.00 178.15 178.78 1e0h n ASN 24 N -1.64 2.38 -3.09 0.00 5.15 0.83 -5.01 115.26 113.87 1e0h n ASN 24 Ca -0.00 -0.05 -0.22 0.00 -0.60 0.00 0.00 54.58 53.71 1e0h n ASN 24 Cb 0.01 1.46 0.01 0.00 -0.53 0.00 0.00 39.78 40.73 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 -1.83 -0.98 0.00 5.20 0.00 0.10 -4.83 120.51 118.16 1e0h n ALA 25 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1e0h n ALA 25 Cb 0.27 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.62 1e0h n ALA 25 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1e0h n ASP 26 N -2.33 0.00 -1.02 0.00 2.03 -1.02 -4.47 116.55 109.73 1e0h n ASP 26 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1e0h n ASP 26 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1e0h n ASP 26 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1e0h n THR 27 N -0.05 0.00 0.31 5.18 -2.24 -1.26 -4.99 114.28 111.23 1e0h n THR 27 Ca 0.00 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.96 1e0h n THR 27 Cb 0.00 -0.00 0.92 0.00 -2.10 0.00 0.00 70.33 69.14 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 -3.46 113.55 116.21 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 -0.24 -0.87 0.00 0.00 176.83 175.72 1e0h n SER 29 N -3.09 0.00 0.00 4.97 2.88 -1.26 -4.78 113.62 112.33 1e0h n SER 29 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1e0h n SER 29 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1e0h n SER 29 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1e0h n GLU 30 N -0.55 0.00 -0.00 -1.46 2.13 -1.26 -4.96 120.64 114.54 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 -0.06 -0.00 0.00 0.27 0.00 0.00 31.44 31.65 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 0.09 -0.47 5.31 0.00 -1.26 -3.44 120.64 120.86 1e0h n GLU 31 Ca 0.00 0.03 0.41 0.00 0.00 0.00 0.00 57.16 57.61 1e0h n GLU 31 Cb 0.10 -0.48 0.75 0.00 0.00 0.00 0.00 31.44 31.81 1e0h n GLU 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1e0h h GLU 32 N -0.16 0.03 0.00 5.31 4.39 -1.95 0.23 114.58 122.43 1e0h h GLU 32 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1e0h h GLU 32 Cb 0.16 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1e0h h GLU 32 CO 0.00 0.02 0.00 1.28 -1.16 0.00 0.00 179.01 179.15 1e0h n LEU 33 N -4.18 0.00 -0.14 1.33 4.77 -1.26 0.69 117.00 118.21 1e0h n LEU 33 Ca 0.34 0.94 0.28 0.00 -0.03 0.00 0.00 56.01 57.53 1e0h n LEU 33 Cb 1.52 -0.44 0.72 0.00 -2.33 0.00 0.00 43.42 42.89 1e0h n LEU 33 CO 0.39 -0.44 1.26 0.58 -1.33 0.00 0.00 177.39 177.85 1e0h h VAL 34 N 0.00 0.42 0.02 4.08 2.07 -1.22 0.56 116.25 122.18 1e0h h VAL 34 Ca 0.00 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.27 1e0h h VAL 34 Cb 0.00 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1e0h h VAL 34 CO 0.00 0.00 -1.35 0.50 0.02 0.00 0.00 177.57 176.74 1e0h h LYS 35 N 0.00 0.03 -0.03 1.57 3.64 -0.46 0.70 116.57 122.02 1e0h h LYS 35 Ca 0.40 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.55 1e0h h LYS 35 Cb 1.77 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.60 1e0h h LYS 35 CO -0.00 0.81 -0.77 -0.07 -2.27 0.00 0.00 179.45 177.15 1e0h h LEU 36 N 0.01 0.31 -0.01 5.20 3.38 0.20 0.16 115.31 124.56 1e0h h LEU 36 Ca -0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1e0h h LEU 36 Cb 1.90 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 1e0h h LEU 36 CO 0.11 0.96 0.01 -0.37 0.09 0.00 0.00 178.44 179.25 1e0h h VAL 37 N 0.16 1.03 -0.29 1.22 -1.51 0.33 0.32 116.25 117.51 1e0h h VAL 37 Ca -0.03 -0.09 -0.14 0.00 -1.23 0.00 0.00 66.70 65.21 1e0h h VAL 37 Cb 1.35 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 1e0h h VAL 37 CO 0.12 0.02 -0.38 0.74 -1.23 0.00 0.00 177.57 176.85 1e0h h THR 38 N -0.01 1.29 0.00 7.19 2.02 -0.84 -0.76 112.91 121.80 1e0h h THR 38 Ca 0.01 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 65.63 1e0h h THR 38 Cb 0.03 1.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1e0h h THR 38 CO -0.00 0.49 -0.10 -0.74 0.37 0.00 0.00 175.52 175.54 1e0h h HIS 39 N 0.55 0.00 0.37 3.16 6.17 -0.33 0.31 115.15 125.37 1e0h h HIS 39 Ca 0.05 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.11 1e0h h HIS 39 Cb 0.90 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.83 1e0h h HIS 39 CO 0.04 0.10 -0.18 0.35 0.71 0.00 0.00 177.93 178.96 1e0h h PHE 40 N 0.00 -0.45 -0.80 5.26 3.04 0.53 -1.53 116.94 122.99 1e0h h PHE 40 Ca -0.00 -0.01 0.21 0.00 3.98 0.00 0.00 57.97 62.15 1e0h h PHE 40 Cb 0.23 0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.84 1e0h h PHE 40 CO 0.00 -0.20 0.56 0.93 -2.02 0.00 0.00 178.31 177.58 1e0h h GLU 41 N -0.63 0.14 0.11 1.11 5.08 -0.56 -1.62 114.58 118.21 1e0h h GLU 41 Ca -0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1e0h h GLU 41 Cb 0.46 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1e0h h GLU 41 CO 0.08 0.09 -0.05 1.49 -1.00 0.00 0.00 179.01 179.62 1e0h h GLU 42 N 0.14 -0.14 0.06 2.33 4.81 -0.25 -3.38 114.58 118.16 1e0h h GLU 42 Ca 0.40 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1e0h h GLU 42 Cb 1.34 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1e0h h GLU 42 CO -0.06 0.28 -0.03 0.52 -0.73 0.00 0.00 179.01 178.99 1e0h h MET 43 N -0.61 -0.08 -0.02 1.92 2.86 -0.29 -3.35 114.93 115.34 1e0h h MET 43 Ca -0.01 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1e0h h MET 43 Cb 0.49 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1e0h h MET 43 CO 0.02 0.22 -0.09 -2.37 1.06 0.00 0.00 176.91 175.75 1e0h n THR 44 N -4.99 0.00 -1.88 2.22 5.66 -1.04 -3.94 114.28 110.31 1e0h n THR 44 Ca -0.08 -0.40 -0.20 0.00 -3.05 0.00 0.00 64.05 60.32 1e0h n THR 44 Cb 0.18 1.23 -0.06 0.00 -1.55 0.00 0.00 70.33 70.13 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 0.82 -1.55 -3.95 1.09 1.02 -1.26 -4.91 120.64 111.90 1e0h n GLU 45 Ca 0.14 1.10 -0.30 0.00 -0.02 0.00 0.00 57.16 58.08 1e0h n GLU 45 Cb 0.52 -5.57 -0.04 0.00 -0.02 0.00 0.00 31.44 26.33 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 -2.80 3.45 0.12 -0.32 2.46 -1.26 -5.05 115.29 111.89 1e0h s HIS 46 Ca 0.00 0.19 -0.28 0.00 0.47 0.00 0.00 55.06 55.43 1e0h s HIS 46 Cb 0.00 -1.71 -0.09 0.00 -0.13 0.00 0.00 32.58 30.65 1e0h s HIS 46 CO 0.00 0.56 1.48 -1.35 -2.47 0.00 0.00 174.74 172.96 1e0h h PRO 47 N 2.88 -0.28 -1.96 2.88 0.10 -1.99 -3.34 132.00 130.29 1e0h h PRO 47 Ca -0.46 0.02 -0.74 0.00 0.10 0.00 0.00 66.00 64.92 1e0h h PRO 47 Cb 1.17 0.06 -0.30 0.00 0.10 0.00 0.00 31.00 32.03 1e0h h PRO 47 CO 0.73 -0.19 0.72 0.43 0.10 0.00 0.00 178.00 179.78 1e0h n SER 48 N -5.02 6.96 0.00 -2.05 7.64 -1.26 -4.89 113.62 115.00 1e0h n SER 48 Ca -0.02 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 56.06 1e0h n SER 48 Cb 0.29 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 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 -0.46 -1.49 1.87 0.23 0.00 -1.26 0.23 105.19 104.31 1e0h n GLY 49 Ca 0.50 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.56 1e0h n GLY 49 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1e0h n SER 50 N -0.22 5.59 0.00 1.61 2.88 -1.26 -3.19 113.62 119.03 1e0h n SER 50 Ca 0.00 -2.62 0.00 0.00 -1.33 0.00 0.00 58.87 54.92 1e0h n SER 50 Cb 0.00 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.21 1e0h n SER 50 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1e0h n ASP 51 N 1.68 0.11 -2.86 -3.46 2.03 -1.07 -4.80 116.55 108.18 1e0h n ASP 51 Ca 0.27 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.26 1e0h n ASP 51 Cb 0.68 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.05 1e0h n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1e0h n LEU 52 N -2.46 7.04 0.00 -2.67 -0.00 0.13 -2.28 117.00 116.77 1e0h n LEU 52 Ca 0.00 -4.39 0.00 0.00 -0.00 0.00 0.00 56.01 51.62 1e0h n LEU 52 Cb 0.09 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.24 1e0h n LEU 52 CO 0.00 1.85 -0.11 -0.38 -0.00 0.00 0.00 177.39 178.76 1e0h n ILE 53 N 1.11 0.00 0.00 1.47 2.08 -1.26 -4.70 119.36 118.06 1e0h n ILE 53 Ca 0.53 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.84 1e0h n ILE 53 Cb 0.44 -0.14 0.00 0.00 -0.75 0.00 0.00 39.64 39.18 1e0h n ILE 53 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1e0h n TYR 54 N -1.77 0.00 1.29 1.39 4.01 -1.05 -4.96 117.16 116.07 1e0h n TYR 54 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1e0h n TYR 54 Cb 0.11 0.00 0.65 0.00 -0.31 0.00 0.00 39.34 39.79 1e0h n TYR 54 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1e0h n TYR 55 N -0.37 0.00 -0.31 -0.72 4.19 -0.97 -4.80 117.16 114.18 1e0h n TYR 55 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1e0h n TYR 55 Cb 0.00 -0.18 0.00 0.00 0.49 0.00 0.00 39.34 39.65 1e0h n TYR 55 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1e0h n PRO 56 N -1.18 0.26 0.00 2.98 -0.05 -1.21 -4.91 135.00 130.90 1e0h n PRO 56 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.59 1e0h n PRO 56 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.60 1e0h n PRO 56 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 1e0h n LYS 57 N -0.59 0.00 -0.00 0.54 4.81 -1.25 -4.88 118.16 116.79 1e0h n LYS 57 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 1e0h n LYS 57 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 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 1.82 -0.34 1.64 2.13 -1.26 -4.08 120.64 120.55 1e0h n GLU 58 Ca 0.00 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1e0h n GLU 58 Cb 0.00 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 30.53 1e0h n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1e0h n GLY 59 N 1.50 0.15 3.21 8.31 0.00 -1.26 -5.12 105.19 111.97 1e0h n GLY 59 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1e0h n GLY 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1e0h s ASP 60 N -0.36 1.57 -0.85 1.61 2.15 -1.26 -5.10 116.67 114.43 1e0h s ASP 60 Ca 0.00 -0.93 -0.11 0.00 0.43 0.00 0.00 52.55 51.95 1e0h s ASP 60 Cb 0.00 0.01 0.22 0.00 -0.30 0.00 0.00 42.92 42.85 1e0h s ASP 60 CO 0.00 -0.32 0.78 -0.62 -0.17 0.00 0.00 175.17 174.84 1e0h s ASP 61 N -2.84 6.57 -0.03 -0.34 2.15 -1.26 -3.74 116.67 117.18 1e0h s ASP 61 Ca 0.11 -2.94 0.08 0.00 0.43 0.00 0.00 52.55 50.23 1e0h s ASP 61 Cb 0.01 -2.14 0.29 0.00 -0.30 0.00 0.00 42.92 40.78 1e0h s ASP 61 CO -0.00 -0.47 1.17 -0.90 -0.17 0.00 0.00 175.17 174.80 1e0h n ASP 62 N 3.57 2.00 -4.51 -0.34 5.75 -1.26 -1.99 116.55 119.77 1e0h n ASP 62 Ca 0.15 -2.11 -0.35 0.00 -0.01 0.00 0.00 54.79 52.48 1e0h n ASP 62 Cb 0.44 -0.31 0.10 0.00 -1.03 0.00 0.00 41.12 40.32 1e0h n ASP 62 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1e0h n SER 63 N 0.36 -0.90 0.00 -1.12 7.64 -1.26 -4.34 113.62 114.00 1e0h n SER 63 Ca 0.11 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1e0h n SER 63 Cb 0.36 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1e0h n SER 63 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1e0h n PRO 64 N -1.65 0.00 -0.05 1.43 -0.02 -1.26 -0.59 135.00 132.86 1e0h n PRO 64 Ca 0.10 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.76 1e0h n PRO 64 Cb 0.51 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 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 -1.26 1.00 -0.32 2.55 3.41 -1.26 -4.33 113.62 113.41 1e0h n SER 65 Ca 0.00 0.16 0.11 0.00 -0.26 0.00 0.00 58.87 58.89 1e0h n SER 65 Cb 0.12 -0.39 0.29 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.42 1.60 0.99 5.00 0.00 -1.31 0.38 103.07 109.31 1e0h h GLY 66 Ca -0.22 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1e0h h GLY 66 CO -0.13 -0.11 0.04 0.16 0.00 0.00 0.00 176.54 176.49 1e0h h ILE 67 N 0.63 1.26 0.00 2.60 3.07 -0.21 0.92 117.51 125.78 1e0h h ILE 67 Ca 0.54 -1.01 -0.05 0.00 1.55 0.00 0.00 64.86 65.89 1e0h h ILE 67 Cb 0.87 0.95 -0.01 0.00 -0.27 0.00 0.00 36.82 38.37 1e0h h ILE 67 CO -0.41 0.35 -0.23 0.58 -1.05 0.00 0.00 178.15 177.39 1e0h h VAL 68 N 0.70 0.63 -0.34 0.16 2.07 -1.67 0.11 116.25 117.91 1e0h h VAL 68 Ca 0.14 -1.04 -0.10 0.00 0.82 0.00 0.00 66.70 66.52 1e0h h VAL 68 Cb 0.46 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1e0h h VAL 68 CO 0.02 0.22 -0.19 -1.13 0.02 0.00 0.00 177.57 176.51 1e0h h ASN 69 N 0.00 0.64 -0.26 0.57 -0.73 0.11 -2.12 115.58 113.79 1e0h h ASN 69 Ca -0.00 -0.20 -0.15 0.00 1.87 0.00 0.00 56.30 57.81 1e0h h ASN 69 Cb 0.66 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.07 1e0h h ASN 69 CO 0.03 0.83 -0.40 0.74 -0.37 0.00 0.00 177.43 178.26 1e0h h THR 70 N 0.57 1.28 -0.48 -3.57 2.02 0.34 0.16 112.91 113.24 1e0h h THR 70 Ca 0.09 -1.57 0.06 0.00 0.77 0.00 0.00 66.41 65.76 1e0h h THR 70 Cb 0.64 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 1e0h h THR 70 CO 0.05 0.52 0.18 0.58 0.37 0.00 0.00 175.52 177.21 1e0h h VAL 71 N 0.66 0.85 0.00 3.16 2.07 -1.42 -1.97 116.25 119.60 1e0h h VAL 71 Ca 0.05 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1e0h h VAL 71 Cb 0.96 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1e0h h VAL 71 CO 0.09 0.07 0.00 0.29 0.02 0.00 0.00 177.57 178.04 1e0h n LYS 72 N -4.99 0.15 0.00 1.57 4.01 0.55 0.81 118.16 120.25 1e0h n LYS 72 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 1e0h n LYS 72 Cb 0.18 -1.17 0.00 0.00 -0.51 0.00 0.00 35.03 33.53 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 -0.67 0.00 0.44 1.97 6.02 -0.82 -3.80 117.38 120.51 1e0h n GLN 73 Ca 0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.83 1e0h n GLN 73 Cb 0.01 -0.66 -0.08 0.00 1.02 0.00 0.00 30.24 30.53 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 -1.04 0.00 1.08 7.01 -0.91 0.18 115.95 122.27 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 0.93 0.34 0.00 0.00 -2.10 0.00 0.00 29.16 28.33 1e0h h TRP 74 CO 0.00 -0.65 0.00 0.54 -2.79 0.00 0.00 178.44 175.54 1e0h n ARG 75 N -5.30 0.07 -0.04 2.65 1.74 0.24 -0.02 116.66 115.99 1e0h n ARG 75 Ca -0.14 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1e0h n ARG 75 Cb 0.44 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.28 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 -1.15 2.09 -0.02 7.54 0.00 -1.07 -0.19 120.51 127.71 1e0h n ALA 76 Ca 0.02 -0.61 -0.16 0.00 0.00 0.00 0.00 53.44 52.70 1e0h n ALA 76 Cb 0.02 -0.25 -0.14 0.00 0.00 0.00 0.00 19.45 19.08 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 -2.24 1.19 0.26 0.00 0.00 0.63 -2.54 120.51 117.80 1e0h n ALA 77 Ca -0.12 -0.73 0.15 0.00 0.00 0.00 0.00 53.44 52.74 1e0h n ALA 77 Cb 0.65 -0.69 0.52 0.00 0.00 0.00 0.00 19.45 19.94 1e0h n ALA 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1e0h h ASN 78 N 0.04 0.00 -2.70 0.00 -0.00 -0.66 -3.47 115.58 108.79 1e0h h ASN 78 Ca -0.39 0.00 -0.37 0.00 -0.00 0.00 0.00 56.30 55.54 1e0h h ASN 78 Cb 2.03 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 40.33 1e0h h ASN 78 CO 0.07 0.03 -0.48 0.61 -0.00 0.00 0.00 177.43 177.66 1e0h n GLY 79 N 0.34 -0.41 0.24 1.57 0.00 -1.05 -4.85 105.19 101.04 1e0h n GLY 79 Ca 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.82 -0.22 -1.08 1.61 4.76 0.73 -4.88 118.16 116.27 1e0h n LYS 80 Ca -0.22 0.91 0.14 0.00 -2.87 0.00 0.00 58.31 56.26 1e0h n LYS 80 Cb 0.67 -1.34 -0.06 0.00 -1.84 0.00 0.00 35.03 32.46 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 -4.80 -6.23 0.00 4.39 3.41 -1.26 -5.10 113.62 104.03 1e0h n SER 81 Ca 0.03 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 1e0h n SER 81 Cb 0.19 -3.60 0.00 0.00 -0.26 0.00 0.00 64.21 60.54 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 -3.82 -0.74 3.54 5.00 0.00 -1.26 -5.01 105.19 102.90 1e0h n GLY 82 Ca -0.05 0.38 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 1e0h n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1e0h s PHE 83 N 0.00 0.64 0.04 1.61 0.08 -1.00 -4.29 117.98 115.05 1e0h s PHE 83 Ca 0.00 0.66 0.00 0.00 0.12 0.00 0.00 56.93 57.71 1e0h s PHE 83 Cb 0.00 -3.27 0.00 0.00 -0.57 0.00 0.00 43.02 39.18 1e0h s PHE 83 CO 0.00 -3.95 0.00 1.17 -0.10 0.00 0.00 175.22 172.34 1e0h n LYS 84 N -4.86 1.88 0.00 0.44 4.81 -1.18 -4.96 118.16 114.29 1e0h n LYS 84 Ca 0.10 -0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 1e0h n LYS 84 Cb 0.59 0.08 0.00 0.00 0.02 0.00 0.00 35.03 35.72 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 -0.13 0.00 0.00 1.64 1.13 -1.26 -4.00 117.38 114.76 1e0h n GLN 85 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1e0h n GLN 85 Cb 0.05 -0.21 0.00 0.00 0.11 0.00 0.00 30.24 30.19 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03