#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 0.82 -3.62 3.17 4.71 -1.26 -4.94 120.64 119.52 1e0h n GLU 2 Ca 0.00 0.29 -0.02 0.00 -0.01 0.00 0.00 57.16 57.42 1e0h n GLU 2 Cb 0.00 -1.54 -0.02 0.00 -1.01 0.00 0.00 31.44 28.87 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 1.41 -0.05 0.28 -4.62 1.43 -1.26 -5.08 118.68 110.80 1e0h s LEU 3 Ca 0.61 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.67 1e0h s LEU 3 Cb -0.75 1.15 -0.02 0.00 0.03 0.00 0.00 46.19 46.60 1e0h s LEU 3 CO 0.58 -0.09 0.34 -0.75 0.23 0.00 0.00 176.35 176.66 1e0h s LYS 4 N -2.16 1.60 0.08 1.70 2.47 -1.26 -5.04 119.74 117.12 1e0h s LYS 4 Ca 0.12 -1.66 0.22 0.00 -1.56 0.00 0.00 55.97 53.09 1e0h s LYS 4 Cb 0.00 0.38 -0.17 0.00 -1.46 0.00 0.00 37.83 36.58 1e0h s LYS 4 CO -0.03 -0.62 0.76 0.72 0.16 0.00 0.00 175.35 176.34 1e0h n HIS 5 N -0.45 0.44 -3.60 4.03 8.25 -1.26 -4.96 115.22 117.68 1e0h n HIS 5 Ca 0.02 0.13 -0.13 0.00 -0.26 0.00 0.00 57.72 57.48 1e0h n HIS 5 Cb 0.63 -0.69 -0.05 0.00 1.12 0.00 0.00 29.99 31.00 1e0h n HIS 5 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1e0h s SER 6 N -4.84 -0.37 0.00 0.41 1.04 -1.26 -4.99 113.70 103.69 1e0h s SER 6 Ca -0.04 0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.43 1e0h s SER 6 Cb 0.12 0.48 0.10 0.00 0.10 0.00 0.00 66.02 66.82 1e0h s SER 6 CO 0.85 -0.75 0.78 0.00 0.98 0.00 0.00 173.24 175.09 1e0h n ILE 7 N 0.24 0.72 -0.24 -1.02 3.06 -1.26 -2.89 119.36 117.97 1e0h n ILE 7 Ca -0.18 0.18 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1e0h n ILE 7 Cb 0.61 -1.15 0.00 0.00 0.54 0.00 0.00 39.64 39.64 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 -1.19 0.06 0.08 9.51 2.88 -1.26 -4.17 113.62 119.53 1e0h n SER 8 Ca 0.01 -0.37 0.12 0.00 -1.33 0.00 0.00 58.87 57.30 1e0h n SER 8 Cb 0.01 0.14 0.46 0.00 -0.75 0.00 0.00 64.21 64.07 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 -0.14 0.54 0.00 -3.46 2.03 -1.14 -4.53 116.55 109.85 1e0h n ASP 9 Ca 0.00 0.57 0.00 0.00 0.52 0.00 0.00 54.79 55.88 1e0h n ASP 9 Cb 0.06 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 1e0h n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1e0h n TYR 10 N -2.03 0.00 -3.83 -0.67 0.18 -1.26 -5.05 117.16 104.51 1e0h n TYR 10 Ca 0.05 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.78 1e0h n TYR 10 Cb 0.34 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.31 1e0h n TYR 10 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1e0h s THR 11 N 2.36 0.00 0.30 -3.48 -4.23 -1.26 -4.53 115.64 104.79 1e0h s THR 11 Ca 0.00 -0.77 0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1e0h s THR 11 Cb 0.00 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.34 1e0h s THR 11 CO 0.00 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 175.72 1e0h h GLU 12 N 2.00 0.31 0.01 3.99 4.81 -1.81 -2.21 114.58 121.67 1e0h h GLU 12 Ca -0.27 -0.13 -0.21 0.00 -0.13 0.00 0.00 59.36 58.62 1e0h h GLU 12 Cb 1.23 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1e0h h GLU 12 CO 0.33 0.63 -1.01 0.00 -0.73 0.00 0.00 179.01 178.23 1e0h h ALA 13 N 1.37 0.35 -0.05 2.92 0.00 -1.93 -1.16 119.26 120.75 1e0h h ALA 13 Ca 0.03 -0.90 0.04 0.00 0.00 0.00 0.00 54.91 54.08 1e0h h ALA 13 Cb 0.76 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1e0h h ALA 13 CO 0.06 1.22 -0.24 1.49 0.00 0.00 0.00 179.25 181.78 1e0h h GLU 14 N 0.01 -0.33 0.00 0.00 4.22 -1.89 0.47 114.58 117.06 1e0h h GLU 14 Ca -0.02 0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.33 1e0h h GLU 14 Cb 1.77 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 1e0h h GLU 14 CO 0.13 -0.22 -0.53 0.35 -2.18 0.00 0.00 179.01 176.56 1e0h h PHE 15 N -0.35 0.00 -0.56 0.92 3.57 -1.37 0.49 116.94 119.66 1e0h h PHE 15 Ca 0.08 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1e0h h PHE 15 Cb 0.46 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1e0h h PHE 15 CO -0.30 0.53 -0.05 1.25 -2.23 0.00 0.00 178.31 177.50 1e0h h LEU 16 N 0.00 1.01 -1.04 0.59 5.85 -0.82 -0.08 115.31 120.83 1e0h h LEU 16 Ca -0.01 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 1e0h h LEU 16 Cb 1.11 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1e0h h LEU 16 CO 0.07 1.09 0.13 -0.61 -0.34 0.00 0.00 178.44 178.78 1e0h h GLN 17 N 0.90 0.82 -0.16 1.25 4.15 -0.62 -0.13 115.11 121.32 1e0h h GLN 17 Ca 0.15 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1e0h h GLN 17 Cb 0.61 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 1e0h h GLN 17 CO 0.04 0.74 -0.04 1.25 -1.93 0.00 0.00 178.83 178.89 1e0h h LEU 18 N 0.80 0.32 -0.79 -2.39 6.46 -0.21 0.29 115.31 119.79 1e0h h LEU 18 Ca 0.18 -0.37 0.07 0.00 -0.12 0.00 0.00 57.88 57.64 1e0h h LEU 18 Cb 0.29 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.07 1e0h h LEU 18 CO -0.00 0.61 0.46 0.58 -0.62 0.00 0.00 178.44 179.47 1e0h h VAL 19 N 0.01 0.97 0.00 1.05 2.07 -0.88 -0.88 116.25 118.59 1e0h h VAL 19 Ca 0.04 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1e0h h VAL 19 Cb 0.48 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1e0h h VAL 19 CO 0.02 0.15 -0.06 0.00 0.02 0.00 0.00 177.57 177.70 1e0h h THR 20 N 0.82 0.15 -0.00 2.57 1.03 0.02 0.23 112.91 117.71 1e0h h THR 20 Ca 0.36 -0.67 -0.11 0.00 -0.01 0.00 0.00 66.41 65.98 1e0h h THR 20 Cb 0.25 1.58 -0.02 0.00 -1.07 0.00 0.00 68.15 68.89 1e0h h THR 20 CO -0.21 0.05 -0.54 0.74 -0.01 0.00 0.00 175.52 175.56 1e0h h THR 21 N 0.00 1.39 0.00 0.00 2.02 0.97 0.85 112.91 118.13 1e0h h THR 21 Ca -0.00 -1.84 -0.11 0.00 0.77 0.00 0.00 66.41 65.22 1e0h h THR 21 Cb 0.57 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 1e0h h THR 21 CO 0.01 0.53 -0.62 0.40 0.37 0.00 0.00 175.52 176.20 1e0h h ILE 22 N 0.01 1.36 0.00 3.11 2.04 -0.67 0.49 117.51 123.85 1e0h h ILE 22 Ca -0.00 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.59 1e0h h ILE 22 Cb 0.96 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 1e0h h ILE 22 CO 0.07 0.46 0.00 0.00 0.00 0.00 0.00 178.15 178.68 1e0h n ASN 24 N -1.16 1.66 -2.39 0.00 5.15 0.29 -4.99 115.26 113.83 1e0h n ASN 24 Ca 0.01 -0.37 -0.13 0.00 -0.60 0.00 0.00 54.58 53.49 1e0h n ASN 24 Cb 0.01 1.15 -0.01 0.00 -0.53 0.00 0.00 39.78 40.40 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 -1.44 -0.74 0.00 5.20 0.00 0.17 -4.82 120.51 118.87 1e0h n ALA 25 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1e0h n ALA 25 Cb 0.15 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.75 0.00 -2.64 0.00 2.03 -0.89 -4.67 116.55 108.63 1e0h n ASP 26 Ca -0.15 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.10 1e0h n ASP 26 Cb 0.61 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 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 -0.14 0.00 0.20 5.18 -2.24 -1.26 -4.99 114.28 111.03 1e0h n THR 27 Ca 0.00 -0.48 0.18 0.00 -2.27 0.00 0.00 64.05 61.48 1e0h n THR 27 Cb 0.00 -0.50 0.79 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.12 0.00 0.00 3.42 4.64 -1.95 -3.46 113.55 116.33 1e0h h SER 28 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1e0h h SER 28 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1e0h h SER 28 CO 0.12 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.54 1e0h n SER 29 N -3.39 0.00 0.00 4.97 3.41 -1.26 -4.86 113.62 112.49 1e0h n SER 29 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1e0h n SER 29 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1e0h n SER 29 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1e0h n GLU 30 N 1.06 -0.03 -0.00 4.33 2.13 -1.26 -4.70 120.64 122.17 1e0h n GLU 30 Ca 0.00 0.01 -0.02 0.00 0.66 0.00 0.00 57.16 57.81 1e0h n GLU 30 Cb 0.00 -3.62 -0.01 0.00 0.27 0.00 0.00 31.44 28.08 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 -1.97 0.11 -0.18 5.31 0.00 -1.26 -3.04 120.64 119.61 1e0h n GLU 31 Ca 0.00 0.04 0.29 0.00 0.00 0.00 0.00 57.16 57.49 1e0h n GLU 31 Cb 0.01 -0.53 0.73 0.00 0.00 0.00 0.00 31.44 31.64 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 -0.20 0.00 0.35 5.31 4.39 -1.92 0.11 114.58 122.62 1e0h h GLU 32 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1e0h h GLU 32 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1e0h h GLU 32 CO 0.00 0.00 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.61 1e0h h LEU 33 N 0.00 -0.40 -2.12 1.33 3.38 -1.91 0.76 115.31 116.35 1e0h h LEU 33 Ca 0.43 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.32 1e0h h LEU 33 Cb 1.78 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.63 1e0h h LEU 33 CO -0.00 -0.12 0.05 0.58 0.09 0.00 0.00 178.44 179.03 1e0h h VAL 34 N -0.67 0.83 0.10 1.22 2.07 -1.24 0.13 116.25 118.68 1e0h h VAL 34 Ca -0.05 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.13 1e0h h VAL 34 Cb 0.47 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1e0h h VAL 34 CO 0.08 0.00 -1.88 1.17 0.02 0.00 0.00 177.57 176.96 1e0h n LYS 35 N -4.31 0.72 0.08 1.57 0.00 0.31 -2.11 118.16 114.41 1e0h n LYS 35 Ca -0.01 0.32 0.02 0.00 0.00 0.00 0.00 58.31 58.63 1e0h n LYS 35 Cb 0.15 -1.71 0.36 0.00 0.00 0.00 0.00 35.03 33.84 1e0h n LYS 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1e0h h LEU 36 N -0.13 0.31 0.25 3.14 3.38 0.61 0.34 115.31 123.22 1e0h h LEU 36 Ca -0.42 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1e0h h LEU 36 Cb 1.90 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 1e0h h LEU 36 CO 0.03 0.43 -0.28 0.58 0.09 0.00 0.00 178.44 179.29 1e0h h VAL 37 N 0.32 0.40 -0.09 1.22 2.07 -0.77 -2.05 116.25 117.35 1e0h h VAL 37 Ca 0.07 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.44 1e0h h VAL 37 Cb 0.34 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1e0h h VAL 37 CO 0.02 0.00 -0.59 0.74 0.02 0.00 0.00 177.57 177.75 1e0h h THR 38 N -0.58 1.37 -0.94 2.57 2.02 -0.85 0.11 112.91 116.62 1e0h h THR 38 Ca -0.00 -1.94 0.11 0.00 0.77 0.00 0.00 66.41 65.35 1e0h h THR 38 Cb 0.54 1.95 -0.08 0.00 -1.74 0.00 0.00 68.15 68.83 1e0h h THR 38 CO -0.08 0.58 0.57 -0.74 0.37 0.00 0.00 175.52 176.22 1e0h h HIS 39 N 0.23 1.03 0.24 3.16 6.17 -0.28 0.25 115.15 125.95 1e0h h HIS 39 Ca -0.00 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.10 1e0h h HIS 39 Cb 1.10 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 30.71 1e0h h HIS 39 CO 0.03 0.40 -0.12 0.35 0.71 0.00 0.00 177.93 179.30 1e0h h PHE 40 N 0.91 -0.30 -1.18 5.26 3.04 -0.07 -0.94 116.94 123.66 1e0h h PHE 40 Ca 0.47 -0.01 0.34 0.00 3.98 0.00 0.00 57.97 62.74 1e0h h PHE 40 Cb 0.46 0.10 -0.06 0.00 2.56 0.00 0.00 35.95 39.01 1e0h h PHE 40 CO -0.03 0.05 0.83 0.93 -2.02 0.00 0.00 178.31 178.06 1e0h h GLU 41 N -0.69 0.08 0.06 1.11 5.08 -0.80 -2.38 114.58 117.04 1e0h h GLU 41 Ca -0.03 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1e0h h GLU 41 Cb 0.48 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1e0h h GLU 41 CO 0.05 0.06 -0.03 1.49 -1.00 0.00 0.00 179.01 179.58 1e0h h GLU 42 N 0.09 -0.08 -0.28 2.33 4.22 -0.37 -3.38 114.58 117.11 1e0h h GLU 42 Ca 0.59 0.01 0.08 0.00 0.08 0.00 0.00 59.36 60.11 1e0h h GLU 42 Cb 2.15 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.40 1e0h h GLU 42 CO -0.08 -0.05 0.41 0.52 -2.18 0.00 0.00 179.01 177.63 1e0h h MET 43 N -0.27 0.00 0.00 1.92 2.86 -0.62 -2.19 114.93 116.63 1e0h h MET 43 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1e0h h MET 43 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1e0h h MET 43 CO 0.01 0.00 0.00 -2.37 1.06 0.00 0.00 176.91 175.61 1e0h n THR 44 N -3.45 0.11 -1.76 2.22 5.66 -1.20 -4.27 114.28 111.60 1e0h n THR 44 Ca 0.04 -0.35 -0.09 0.00 -3.05 0.00 0.00 64.05 60.60 1e0h n THR 44 Cb 0.55 1.27 -0.02 0.00 -1.55 0.00 0.00 70.33 70.58 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 -0.06 -1.72 -3.20 1.09 1.02 -0.82 -4.84 120.64 112.11 1e0h n GLU 45 Ca 0.00 0.48 -0.39 0.00 -0.02 0.00 0.00 57.16 57.23 1e0h n GLU 45 Cb 0.15 -4.81 -0.05 0.00 -0.02 0.00 0.00 31.44 26.70 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 -2.03 3.59 0.00 -0.32 2.46 -1.26 -5.00 115.29 112.73 1e0h s HIS 46 Ca 0.00 1.10 0.00 0.00 0.47 0.00 0.00 55.06 56.63 1e0h s HIS 46 Cb 0.00 -2.64 0.00 0.00 -0.13 0.00 0.00 32.58 29.81 1e0h s HIS 46 CO 0.00 0.21 0.12 -2.30 -2.47 0.00 0.00 174.74 170.30 1e0h n PRO 47 N 3.38 0.00 0.22 2.88 -0.02 -1.26 -3.14 135.00 137.06 1e0h n PRO 47 Ca -0.05 0.12 0.09 0.00 -2.02 0.00 0.00 63.50 61.64 1e0h n PRO 47 Cb 0.51 -0.20 0.44 0.00 -0.02 0.00 0.00 33.50 34.24 1e0h n PRO 47 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1e0h h SER 48 N 0.00 0.00 -5.34 2.55 0.02 -1.95 -3.47 113.55 105.36 1e0h h SER 48 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1e0h h SER 48 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1e0h h SER 48 CO 0.00 0.25 -0.35 0.61 -1.14 0.00 0.00 176.83 176.20 1e0h n GLY 49 N 0.15 -0.36 0.00 -3.77 0.00 -1.19 -0.82 105.19 99.20 1e0h n GLY 49 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.36 0.00 -0.86 1.61 2.88 -1.26 -4.92 113.62 110.72 1e0h n SER 50 Ca -0.09 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1e0h n SER 50 Cb 0.21 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.90 1e0h n SER 50 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1e0h n ASP 51 N 0.00 3.17 -1.85 -3.46 9.92 -0.00 -1.95 116.55 122.37 1e0h n ASP 51 Ca 0.00 -3.29 0.01 0.00 -0.53 0.00 0.00 54.79 50.97 1e0h n ASP 51 Cb 0.00 -0.56 0.05 0.00 -0.64 0.00 0.00 41.12 39.98 1e0h n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1e0h n LEU 52 N -0.86 1.75 0.00 0.64 -0.00 -1.26 -4.24 117.00 113.02 1e0h n LEU 52 Ca 0.24 -2.81 0.00 0.00 -0.00 0.00 0.00 56.01 53.44 1e0h n LEU 52 Cb 0.90 0.05 0.00 0.00 -0.00 0.00 0.00 43.42 44.37 1e0h n LEU 52 CO 0.14 0.93 -0.11 -0.38 -0.00 0.00 0.00 177.39 177.96 1e0h n ILE 53 N -0.16 0.00 0.00 1.47 2.08 -0.90 -4.65 119.36 117.20 1e0h n ILE 53 Ca 0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.42 1e0h n ILE 53 Cb 0.96 -0.23 0.00 0.00 -0.75 0.00 0.00 39.64 39.63 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 -1.89 0.00 -0.16 1.39 4.01 -0.82 -4.93 117.16 114.75 1e0h n TYR 54 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 1e0h n TYR 54 Cb 0.11 0.02 0.05 0.00 -0.31 0.00 0.00 39.34 39.21 1e0h n TYR 54 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1e0h h TYR 55 N 0.00 0.43 -1.91 -0.72 5.03 -1.87 -3.42 116.97 114.51 1e0h h TYR 55 Ca 0.00 0.02 -0.65 0.00 2.58 0.00 0.00 58.73 60.68 1e0h h TYR 55 Cb 0.14 -0.12 0.05 0.00 1.55 0.00 0.00 36.73 38.34 1e0h h TYR 55 CO 0.00 0.20 0.71 -0.35 -1.32 0.00 0.00 178.16 177.40 1e0h n PRO 56 N -4.91 1.62 0.00 1.82 -0.04 -1.26 -4.69 135.00 127.54 1e0h n PRO 56 Ca 0.04 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1e0h n PRO 56 Cb 0.14 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1e0h n PRO 56 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1e0h n LYS 57 N 3.69 0.00 0.05 0.54 4.81 -1.14 -4.41 118.16 121.70 1e0h n LYS 57 Ca 0.19 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.75 1e0h n LYS 57 Cb 0.23 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.41 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 -1.28 0.27 -0.22 1.64 2.13 -1.26 -3.44 120.64 118.48 1e0h n GLU 58 Ca 0.00 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1e0h n GLU 58 Cb 0.00 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.06 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 1.36 -0.29 3.08 8.31 0.00 -1.26 -5.10 105.19 111.28 1e0h n GLY 59 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.22 3.81 -0.90 1.61 -1.08 -1.22 -5.04 116.67 113.64 1e0h s ASP 60 Ca 0.00 -1.05 -0.25 0.00 -0.52 0.00 0.00 52.55 50.73 1e0h s ASP 60 Cb 0.00 -1.48 -0.09 0.00 -1.46 0.00 0.00 42.92 39.89 1e0h s ASP 60 CO 0.00 -0.11 2.12 -0.62 0.52 0.00 0.00 175.17 177.07 1e0h s ASP 61 N 1.21 4.60 -0.07 -0.34 2.15 -1.26 -2.86 116.67 120.09 1e0h s ASP 61 Ca -0.03 -0.52 -0.01 0.00 0.43 0.00 0.00 52.55 52.42 1e0h s ASP 61 Cb -0.17 -2.56 -0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1e0h s ASP 61 CO -0.08 -3.28 -0.02 -2.24 -0.17 0.00 0.00 175.17 169.37 1e0h h ASP 62 N 11.66 0.00 0.00 -0.34 2.03 -1.83 -2.96 116.42 124.98 1e0h h ASP 62 Ca 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1e0h h ASP 62 Cb 1.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 1e0h h ASP 62 CO 1.13 0.37 0.00 -1.20 -1.03 0.00 0.00 179.24 178.51 1e0h n SER 63 N -3.87 0.00 -0.51 4.15 7.64 -1.26 0.59 113.62 120.37 1e0h n SER 63 Ca -0.01 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 1e0h n SER 63 Cb 0.03 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 63.65 1e0h n SER 63 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1e0h n PRO 64 N 7.15 1.60 0.02 1.43 -0.04 -1.26 -4.65 135.00 139.24 1e0h n PRO 64 Ca 0.00 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 1e0h n PRO 64 Cb 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1e0h n PRO 64 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1e0h n SER 65 N 0.19 0.33 -0.19 3.54 3.41 -0.75 -4.37 113.62 115.77 1e0h n SER 65 Ca 0.17 0.05 0.23 0.00 -0.26 0.00 0.00 58.87 59.05 1e0h n SER 65 Cb 0.39 -0.10 0.61 0.00 -0.26 0.00 0.00 64.21 64.86 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 0.00 0.45 0.88 5.00 0.00 -1.27 0.30 103.07 108.42 1e0h h GLY 66 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1e0h h GLY 66 CO 0.00 -0.00 -0.05 0.16 0.00 0.00 0.00 176.54 176.64 1e0h h ILE 67 N 0.21 1.28 -0.01 2.60 3.07 0.33 0.86 117.51 125.85 1e0h h ILE 67 Ca 0.43 -1.06 -0.09 0.00 1.55 0.00 0.00 64.86 65.69 1e0h h ILE 67 Cb 1.35 1.39 -0.01 0.00 -0.27 0.00 0.00 36.82 39.28 1e0h h ILE 67 CO -0.09 0.34 -0.43 0.58 -1.05 0.00 0.00 178.15 177.50 1e0h h VAL 68 N 0.30 1.31 -0.41 0.16 2.07 -1.57 -0.09 116.25 118.01 1e0h h VAL 68 Ca 0.07 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 1e0h h VAL 68 Cb 0.52 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1e0h h VAL 68 CO 0.02 0.42 0.13 0.78 0.02 0.00 0.00 177.57 178.94 1e0h h ASN 69 N 0.02 0.55 -0.44 0.57 2.35 0.01 0.25 115.58 118.90 1e0h h ASN 69 Ca -0.00 -0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.55 1e0h h ASN 69 Cb 0.76 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1e0h h ASN 69 CO 0.06 0.53 -0.23 0.74 -1.65 0.00 0.00 177.43 176.88 1e0h h THR 70 N 0.59 1.27 -0.23 2.81 2.02 0.26 -0.60 112.91 119.05 1e0h h THR 70 Ca 0.14 -1.38 0.05 0.00 0.77 0.00 0.00 66.41 65.99 1e0h h THR 70 Cb 0.19 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 1e0h h THR 70 CO -0.01 0.47 -0.14 0.58 0.37 0.00 0.00 175.52 176.79 1e0h h VAL 71 N 0.76 0.59 0.00 3.16 2.07 -1.19 -2.10 116.25 119.53 1e0h h VAL 71 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1e0h h VAL 71 Cb 0.80 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1e0h h VAL 71 CO 0.07 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.95 1e0h n LYS 72 N -5.30 0.00 0.00 1.57 4.01 0.06 0.73 118.16 119.23 1e0h n LYS 72 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1e0h n LYS 72 Cb 0.22 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.33 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 -0.90 0.00 0.22 1.97 6.02 -1.09 -3.83 117.38 119.76 1e0h n GLN 73 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1e0h n GLN 73 Cb 0.00 -0.58 -0.04 0.00 1.02 0.00 0.00 30.24 30.64 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 -0.52 0.00 1.08 7.01 -0.60 -0.43 115.95 122.48 1e0h h TRP 74 Ca 0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1e0h h TRP 74 Cb 0.80 0.17 0.00 0.00 -2.10 0.00 0.00 29.16 28.03 1e0h h TRP 74 CO 0.00 -0.33 0.07 0.54 -2.79 0.00 0.00 178.44 175.94 1e0h n ARG 75 N -3.89 0.00 -0.07 2.65 1.74 0.22 0.27 116.66 117.58 1e0h n ARG 75 Ca -0.07 0.42 -0.03 0.00 -0.77 0.00 0.00 57.85 57.39 1e0h n ARG 75 Cb 0.22 -1.57 -0.15 0.00 -1.02 0.00 0.00 32.46 29.94 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 -1.41 1.92 -0.03 7.54 0.00 -1.18 0.30 120.51 127.64 1e0h n ALA 76 Ca 0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 53.44 52.26 1e0h n ALA 76 Cb 0.07 -0.32 -0.14 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.54 1.13 0.80 0.00 0.00 -0.05 -3.00 120.51 116.86 1e0h n ALA 77 Ca -0.22 -0.76 0.11 0.00 0.00 0.00 0.00 53.44 52.57 1e0h n ALA 77 Cb 0.93 -0.57 0.50 0.00 0.00 0.00 0.00 19.45 20.31 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 -3.32 0.02 -1.50 0.00 2.85 0.14 -4.93 115.26 108.52 1e0h n ASN 78 Ca -0.32 0.50 -0.16 0.00 -0.11 0.00 0.00 54.58 54.49 1e0h n ASN 78 Cb 1.04 -0.51 -0.05 0.00 1.24 0.00 0.00 39.78 41.51 1e0h n ASN 78 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1e0h n GLY 79 N 0.92 0.89 0.23 8.20 0.00 -1.16 -4.86 105.19 109.41 1e0h n GLY 79 Ca 0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 1e0h n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1e0h h LYS 80 N 0.00 -0.06 0.00 1.61 1.79 -0.40 -3.46 116.57 116.05 1e0h h LYS 80 Ca -0.36 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.15 1e0h h LYS 80 Cb 1.16 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 1e0h h LYS 80 CO 0.48 -0.04 0.26 -1.13 -1.08 0.00 0.00 179.45 177.94 1e0h n SER 81 N -5.38 -1.23 -0.51 0.86 3.41 -1.23 -5.07 113.62 104.47 1e0h n SER 81 Ca 0.04 -1.76 -0.02 0.00 -0.26 0.00 0.00 58.87 56.87 1e0h n SER 81 Cb 0.28 2.03 -0.02 0.00 -0.26 0.00 0.00 64.21 66.24 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 -0.38 -0.01 7.00 5.00 0.00 -1.26 -4.72 105.19 110.82 1e0h n GLY 82 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 -3.62 1.61 3.01 -1.26 -4.76 117.46 112.45 1e0h n PHE 83 Ca -0.06 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.35 1e0h n PHE 83 Cb 0.33 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.78 1e0h n PHE 83 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1e0h s LYS 84 N 0.00 0.77 0.04 -1.08 2.20 -1.26 -4.54 119.74 115.87 1e0h s LYS 84 Ca 0.00 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1e0h s LYS 84 Cb 0.00 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 1e0h s LYS 84 CO 0.00 -0.35 0.00 1.04 -0.36 0.00 0.00 175.35 175.68 1e0h n GLN 85 N -0.33 0.00 0.00 4.03 1.13 -1.26 -2.72 117.38 118.23 1e0h n GLN 85 Ca -0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1e0h n GLN 85 Cb 0.61 -0.30 0.00 0.00 0.11 0.00 0.00 30.24 30.65 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03