#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1j s ILE 2 N 0.00 3.70 -0.13 -0.61 -4.36 -1.26 -4.94 121.20 113.60 3h1j s ILE 2 Ca 0.00 1.03 0.07 0.00 -0.26 0.00 0.00 60.65 61.49 3h1j s ILE 2 Cb 0.00 -3.66 -0.13 0.00 1.25 0.00 0.00 42.46 39.92 3h1j s ILE 2 CO 0.00 -0.03 -0.02 1.41 0.24 0.00 0.00 174.94 176.54 3h1j n HIS 3 N 5.83 0.00 -1.78 1.37 8.25 -1.26 -4.94 115.22 122.69 3h1j n HIS 3 Ca 0.14 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.22 3h1j n HIS 3 Cb 0.43 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 30.93 3h1j n HIS 3 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3h1j s PHE 4 N -2.29 1.36 0.00 4.41 2.99 -1.26 -2.48 117.98 120.70 3h1j s PHE 4 Ca -0.11 1.14 0.00 0.00 0.00 0.00 0.00 56.93 57.96 3h1j s PHE 4 Cb 0.04 -3.84 0.00 0.00 0.00 0.00 0.00 43.02 39.22 3h1j s PHE 4 CO 0.44 -2.57 0.00 0.41 -0.00 0.00 0.00 175.22 173.50 3h1j n GLY 5 N 5.83 0.85 0.22 4.36 0.00 -1.26 -4.98 105.19 110.21 3h1j n GLY 5 Ca 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 3h1j n GLY 5 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h1j n ASN 6 N 0.00 1.79 0.00 1.61 3.02 -1.04 -4.88 115.26 115.77 3h1j n ASN 6 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 3h1j n ASN 6 Cb 0.00 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 3h1j n ASN 6 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h1j n LEU 7 N -4.24 0.00 -3.83 3.41 4.77 -1.24 -4.64 117.00 111.24 3h1j n LEU 7 Ca -0.28 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.61 3h1j n LEU 7 Cb 0.63 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.67 3h1j n LEU 7 CO 0.12 0.00 0.24 0.00 -1.33 0.00 0.00 177.39 176.42 3h1j s ALA 8 N 0.00 -0.72 -0.27 -1.18 0.00 -1.26 -5.14 121.76 113.19 3h1j s ALA 8 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 3h1j s ALA 8 Cb 0.00 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 3h1j s ALA 8 CO 0.00 -0.82 0.34 0.50 0.00 0.00 0.00 175.76 175.77 3h1j s ARG 9 N -3.92 4.02 -0.01 0.00 3.52 -1.26 -5.07 118.95 116.23 3h1j s ARG 9 Ca 0.13 -0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.75 3h1j s ARG 9 Cb -0.01 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.73 3h1j s ARG 9 CO 0.01 -0.23 -0.12 0.08 -0.81 0.00 0.00 175.30 174.23 3h1j s VAL 10 N 1.93 0.92 0.01 7.11 1.01 -1.26 -5.15 120.40 124.98 3h1j s VAL 10 Ca 0.14 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3h1j s VAL 10 Cb -0.16 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3h1j s VAL 10 CO 0.10 0.26 -0.03 -0.13 0.00 0.00 0.00 175.10 175.30 3h1j s ARG 11 N -0.27 0.23 -1.21 2.72 0.52 -1.26 -4.93 118.95 114.75 3h1j s ARG 11 Ca 0.04 -0.30 -0.06 0.00 -0.52 0.00 0.00 55.73 54.90 3h1j s ARG 11 Cb -0.05 -0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.36 3h1j s ARG 11 CO -0.00 0.01 0.79 0.72 0.02 0.00 0.00 175.30 176.84 3h1j n HIS 12 N 2.44 -2.11 -4.10 -0.53 8.25 -1.26 -5.01 115.22 112.90 3h1j n HIS 12 Ca -0.17 0.68 -0.32 0.00 -0.26 0.00 0.00 57.72 57.65 3h1j n HIS 12 Cb 0.58 -4.22 -0.16 0.00 1.12 0.00 0.00 29.99 27.31 3h1j n HIS 12 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h1j s ILE 13 N -3.19 1.97 -0.01 1.59 1.01 -1.26 -5.10 121.20 116.20 3h1j s ILE 13 Ca 0.39 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 3h1j s ILE 13 Cb -0.17 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3h1j s ILE 13 CO 0.49 0.51 0.07 -0.63 0.00 0.00 0.00 174.94 175.38 3h1j s ILE 14 N 1.32 4.66 0.06 2.92 1.01 -1.26 -5.12 121.20 124.80 3h1j s ILE 14 Ca 0.05 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.32 3h1j s ILE 14 Cb -0.13 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 3h1j s ILE 14 CO -0.12 0.37 -0.10 0.42 0.00 0.00 0.00 174.94 175.51 3h1j s THR 15 N -1.16 0.82 -0.04 2.92 -4.23 -1.26 -5.15 115.64 107.54 3h1j s THR 15 Ca 0.22 -1.28 0.02 0.00 -1.18 0.00 0.00 61.69 59.47 3h1j s THR 15 Cb -0.12 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 72.79 3h1j s THR 15 CO 0.13 -0.37 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.43 3h1j s TYR 16 N -1.59 1.05 0.07 3.99 1.51 -1.26 -5.15 117.35 115.97 3h1j s TYR 16 Ca -0.04 -0.29 -0.05 0.00 -1.01 0.00 0.00 57.07 55.68 3h1j s TYR 16 Cb -0.08 -0.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.98 3h1j s TYR 16 CO 0.01 -0.15 0.08 -1.12 -1.11 0.00 0.00 175.55 173.26 3h1j s SER 17 N 0.37 0.30 0.16 2.29 0.01 -1.26 -5.17 113.70 110.40 3h1j s SER 17 Ca -0.06 -0.82 0.10 0.00 1.31 0.00 0.00 55.95 56.47 3h1j s SER 17 Cb -0.11 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.35 3h1j s SER 17 CO 0.01 -0.66 -0.22 -0.76 0.41 0.00 0.00 173.24 172.02 3h1j s LEU 18 N -2.88 2.39 0.55 2.44 1.43 -1.26 -5.11 118.68 116.23 3h1j s LEU 18 Ca 0.06 -0.81 -0.21 0.00 -1.03 0.00 0.00 54.13 52.13 3h1j s LEU 18 Cb 0.06 -1.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.21 3h1j s LEU 18 CO -0.10 0.07 1.23 -0.24 0.23 0.00 0.00 176.35 177.53 3h1j n SER 19 N 0.52 2.07 0.30 2.29 2.88 -1.26 -4.84 113.62 115.58 3h1j n SER 19 Ca -0.15 0.94 0.18 0.00 -1.33 0.00 0.00 58.87 58.51 3h1j n SER 19 Cb 0.55 -1.51 1.00 0.00 -0.75 0.00 0.00 64.21 63.50 3h1j n SER 19 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h1j h PRO 20 N 1.20 0.00 0.00 -1.46 0.11 -1.99 -1.04 132.00 128.82 3h1j h PRO 20 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h1j h PRO 20 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3h1j h PRO 20 CO 0.55 0.00 -0.16 1.19 -0.21 0.00 0.00 178.00 179.37 3h1j n PHE 21 N -3.55 0.09 0.55 0.65 3.72 -1.26 -3.41 117.46 114.25 3h1j n PHE 21 Ca -0.02 0.03 0.11 0.00 -0.05 0.00 0.00 57.45 57.52 3h1j n PHE 21 Cb 0.13 -0.47 -0.02 0.00 -0.94 0.00 0.00 39.48 38.18 3h1j n PHE 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3h1j n GLU 22 N -1.58 0.30 -2.83 -1.08 -0.58 -0.40 -4.99 120.64 109.48 3h1j n GLU 22 Ca 0.06 -0.02 -0.10 0.00 -0.42 0.00 0.00 57.16 56.68 3h1j n GLU 22 Cb 0.35 -1.58 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 3h1j n GLU 22 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h1j n GLN 23 N -1.95 1.57 -4.03 3.49 10.64 -1.21 -5.02 117.38 120.87 3h1j n GLN 23 Ca 0.01 -1.15 -0.36 0.00 -1.83 0.00 0.00 57.00 53.67 3h1j n GLN 23 Cb 0.44 0.32 -0.07 0.00 -0.86 0.00 0.00 30.24 30.07 3h1j n GLN 23 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3h1j s ARG 24 N -2.57 3.29 0.10 2.61 0.52 -1.26 -4.98 118.95 116.66 3h1j s ARG 24 Ca 0.00 -0.23 -0.15 0.00 -0.52 0.00 0.00 55.73 54.83 3h1j s ARG 24 Cb 0.00 -3.06 -0.08 0.00 0.52 0.00 0.00 34.95 32.33 3h1j s ARG 24 CO 0.00 0.75 1.43 0.00 0.02 0.00 0.00 175.30 177.50 3h1j h ALA 25 N 4.92 0.43 -3.04 2.13 0.00 -2.01 -3.38 119.26 118.31 3h1j h ALA 25 Ca -0.53 -0.39 -0.58 0.00 0.00 0.00 0.00 54.91 53.40 3h1j h ALA 25 Cb 1.21 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.51 3h1j h ALA 25 CO 0.58 0.43 -0.76 0.42 0.00 0.00 0.00 179.25 179.92 3h1j s ILE 26 N -4.40 0.86 0.32 0.00 1.01 -1.26 -5.13 121.20 112.60 3h1j s ILE 26 Ca -0.12 -1.64 0.08 0.00 0.00 0.00 0.00 60.65 58.97 3h1j s ILE 26 Cb 0.09 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 3h1j s ILE 26 CO 0.83 -0.76 0.12 -2.16 0.00 0.00 0.00 174.94 172.96 3h1j s PRO 27 N 1.32 2.38 -1.45 2.79 0.04 -1.26 -4.72 135.00 134.10 3h1j s PRO 27 Ca 0.12 -1.50 -0.00 0.00 0.04 0.00 0.00 61.00 59.66 3h1j s PRO 27 Cb -0.19 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.16 3h1j s PRO 27 CO -0.18 0.17 0.30 0.09 0.04 0.00 0.00 177.00 177.42 3h1j n ASN 28 N -1.10 0.05 0.25 6.66 3.02 -1.26 -4.63 115.26 118.25 3h1j n ASN 28 Ca -0.04 -1.09 0.14 0.00 -0.03 0.00 0.00 54.58 53.57 3h1j n ASN 28 Cb 0.61 -2.63 0.82 0.00 -0.61 0.00 0.00 39.78 37.96 3h1j n ASN 28 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3h1j h ILE 29 N -1.82 0.64 0.00 2.41 5.03 -1.95 0.27 117.51 122.08 3h1j h ILE 29 Ca -0.64 0.00 -0.21 0.00 -0.12 0.00 0.00 64.86 63.89 3h1j h ILE 29 Cb 1.38 0.95 -0.03 0.00 -3.03 0.00 0.00 36.82 36.09 3h1j h ILE 29 CO 0.65 0.00 -1.73 0.49 -0.68 0.00 0.00 178.15 176.88 3h1j n PHE 30 N -4.03 0.00 0.30 1.37 3.01 -1.26 -2.09 117.46 114.75 3h1j n PHE 30 Ca -0.01 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.61 3h1j n PHE 30 Cb 0.17 -0.47 0.78 0.00 -0.01 0.00 0.00 39.48 39.95 3h1j n PHE 30 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3h1j h SER 31 N -0.37 0.00 0.00 4.37 4.64 -1.95 -3.38 113.55 116.86 3h1j h SER 31 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3h1j h SER 31 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3h1j h SER 31 CO -0.17 0.00 -0.05 -0.67 -0.87 0.00 0.00 176.83 175.07 3h1j n ASP 32 N -2.73 -0.01 0.00 4.97 2.03 -0.23 -4.89 116.55 115.68 3h1j n ASP 32 Ca -0.01 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.36 3h1j n ASP 32 Cb 0.16 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 3h1j n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1j n ALA 33 N -2.65 0.00 -0.28 -1.67 0.00 0.79 -2.85 120.51 113.85 3h1j n ALA 33 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3h1j n ALA 33 Cb 0.03 0.11 0.24 0.00 0.00 0.00 0.00 19.45 19.82 3h1j n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h1j h LEU 34 N 0.00 0.04 -0.99 0.00 3.38 -1.65 0.08 115.31 116.16 3h1j h LEU 34 Ca 0.00 0.17 0.24 0.00 0.09 0.00 0.00 57.88 58.37 3h1j h LEU 34 Cb 0.00 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 40.85 3h1j h LEU 34 CO 0.00 -0.08 0.58 -0.65 0.09 0.00 0.00 178.44 178.38 3h1j h PRO 35 N 0.26 0.57 0.07 1.13 0.11 -1.73 0.81 132.00 133.23 3h1j h PRO 35 Ca 0.49 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 66.32 3h1j h PRO 35 Cb 0.91 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 3h1j h PRO 35 CO -0.58 0.38 -1.10 -0.91 -0.21 0.00 0.00 178.00 175.58 3h1j h ASN 36 N 0.59 0.40 -0.39 -2.05 2.35 -0.85 -1.42 115.58 114.22 3h1j h ASN 36 Ca 0.63 -0.39 0.07 0.00 -0.55 0.00 0.00 56.30 56.06 3h1j h ASN 36 Cb 1.17 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 39.35 3h1j h ASN 36 CO -0.47 1.25 0.02 0.58 -1.65 0.00 0.00 177.43 177.17 3h1j h VAL 37 N 0.11 0.73 0.14 2.81 2.07 -0.30 0.26 116.25 122.07 3h1j h VAL 37 Ca -0.10 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3h1j h VAL 37 Cb 1.79 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3h1j h VAL 37 CO 0.18 0.02 -0.07 -0.25 0.02 0.00 0.00 177.57 177.48 3h1j h TRP 38 N 0.13 -0.18 -0.68 1.57 2.91 -0.99 0.02 115.95 118.74 3h1j h TRP 38 Ca 0.19 -0.00 0.12 0.00 1.13 0.00 0.00 58.89 60.33 3h1j h TRP 38 Cb 0.26 0.06 -0.13 0.00 -0.51 0.00 0.00 29.16 28.84 3h1j h TRP 38 CO -0.25 -0.08 -0.32 -0.09 -1.03 0.00 0.00 178.44 176.68 3h1j h ARG 39 N -0.22 -0.11 0.09 2.65 2.43 -0.01 0.57 114.38 119.78 3h1j h ARG 39 Ca -0.02 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3h1j h ARG 39 Cb 0.17 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3h1j h ARG 39 CO 0.03 -0.07 -0.04 0.00 -1.51 0.00 0.00 179.97 178.38 3h1j h ARG 40 N -0.11 -0.12 0.04 0.20 3.08 -0.39 -1.52 114.38 115.57 3h1j h ARG 40 Ca 0.27 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.35 3h1j h ARG 40 Cb 0.56 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 3h1j h ARG 40 CO -0.74 0.03 -0.52 0.35 -1.07 0.00 0.00 179.97 178.02 3h1j h PHE 41 N -0.25 -1.50 -0.66 3.04 -0.00 0.46 -2.39 116.94 115.64 3h1j h PHE 41 Ca -0.01 0.05 0.09 0.00 -0.00 0.00 0.00 57.97 58.09 3h1j h PHE 41 Cb 0.21 0.65 -0.11 0.00 -0.00 0.00 0.00 35.95 36.70 3h1j h PHE 41 CO -0.03 -0.57 -0.48 0.77 -0.00 0.00 0.00 178.31 177.99 3h1j h SER 42 N -0.69 -1.68 0.23 0.41 0.02 0.16 -1.13 113.55 110.87 3h1j h SER 42 Ca 0.01 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3h1j h SER 42 Cb 0.73 0.75 0.00 0.00 0.14 0.00 0.00 62.40 64.02 3h1j h SER 42 CO -0.33 -0.33 0.00 0.77 -1.14 0.00 0.00 176.83 175.81 3h1j h SER 43 N -0.20 0.00 0.00 3.07 4.64 -0.81 -3.23 113.55 117.02 3h1j h SER 43 Ca 0.17 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 3h1j h SER 43 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 3h1j h SER 43 CO -0.75 0.00 -1.59 0.00 -0.87 0.00 0.00 176.83 173.63 3h1j n GLN 44 N -2.53 1.55 -0.19 4.77 1.13 -0.57 -4.68 117.38 116.86 3h1j n GLN 44 Ca -0.01 -0.04 0.23 0.00 -1.94 0.00 0.00 57.00 55.24 3h1j n GLN 44 Cb 0.10 -1.25 0.61 0.00 0.11 0.00 0.00 30.24 29.82 3h1j n GLN 44 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 3h1j h VAL 45 N 0.00 0.63 0.00 5.09 3.04 -1.27 0.17 116.25 123.91 3h1j h VAL 45 Ca -0.15 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 3h1j h VAL 45 Cb 1.13 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 3h1j h VAL 45 CO 0.01 0.04 0.00 0.49 -1.01 0.00 0.00 177.57 177.10 3h1j n PHE 46 N -4.40 0.00 -0.11 3.17 3.72 -1.26 -1.76 117.46 116.82 3h1j n PHE 46 Ca 0.18 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.38 3h1j n PHE 46 Cb 0.80 -0.48 -0.12 0.00 -0.94 0.00 0.00 39.48 38.73 3h1j n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3h1j n LYS 47 N -1.48 0.66 -0.02 -1.08 5.02 0.48 -4.52 118.16 117.22 3h1j n LYS 47 Ca 0.07 0.19 -0.00 0.00 -2.02 0.00 0.00 58.31 56.55 3h1j n LYS 47 Cb 0.33 -1.56 -0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3h1j n LYS 47 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3h1j h VAL 48 N -0.10 0.00 -0.94 -0.18 2.07 -1.32 -3.40 116.25 112.38 3h1j h VAL 48 Ca -0.56 -0.52 0.21 0.00 0.82 0.00 0.00 66.70 66.66 3h1j h VAL 48 Cb 1.89 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 31.48 3h1j h VAL 48 CO -0.09 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.36 3h1j h ALA 49 N -1.47 0.80 -0.01 1.67 0.00 -1.58 -3.16 119.26 115.51 3h1j h ALA 49 Ca -0.00 0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3h1j h ALA 49 Cb 0.02 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3h1j h ALA 49 CO 0.00 -0.44 -0.01 -1.35 0.00 0.00 0.00 179.25 177.45 3h1j h PRO 50 N 0.01 -0.00 -0.87 0.00 0.11 -1.78 0.84 132.00 130.31 3h1j h PRO 50 Ca 0.49 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.77 3h1j h PRO 50 Cb 0.86 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.90 3h1j h PRO 50 CO -0.93 -0.00 0.57 -1.00 -0.21 0.00 0.00 178.00 176.42 3h1j h PRO 51 N -0.00 0.53 0.10 1.05 0.13 -1.79 0.28 132.00 132.29 3h1j h PRO 51 Ca 0.00 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 3h1j h PRO 51 Cb 0.01 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.02 3h1j h PRO 51 CO -0.01 0.35 -0.05 0.74 -0.23 0.00 0.00 178.00 178.80 3h1j h PHE 52 N 0.54 -0.13 -0.67 1.56 0.05 -1.43 -0.40 116.94 116.46 3h1j h PHE 52 Ca 0.44 -0.00 0.14 0.00 3.82 0.00 0.00 57.97 62.37 3h1j h PHE 52 Cb 0.90 0.04 -0.11 0.00 2.00 0.00 0.00 35.95 38.78 3h1j h PHE 52 CO -0.00 0.35 0.10 1.25 -0.18 0.00 0.00 178.31 179.82 3h1j h LEU 53 N -0.70 -0.11 0.26 1.54 5.85 0.12 0.44 115.31 122.71 3h1j h LEU 53 Ca -0.01 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3h1j h LEU 53 Cb 0.54 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3h1j h LEU 53 CO 0.02 -0.07 -0.33 1.23 -0.34 0.00 0.00 178.44 178.95 3h1j h GLY 54 N 0.20 -1.10 -0.00 3.75 0.00 -0.36 -1.77 103.07 103.79 3h1j h GLY 54 Ca 0.37 0.52 0.20 0.00 0.00 0.00 0.00 47.33 48.42 3h1j h GLY 54 CO -0.51 -0.34 0.53 0.00 0.00 0.00 0.00 176.54 176.22 3h1j h ALA 55 N -1.12 1.59 -0.50 3.60 0.00 -0.17 0.11 119.26 122.75 3h1j h ALA 55 Ca -0.03 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3h1j h ALA 55 Cb 0.55 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 3h1j h ALA 55 CO -0.08 -0.18 -0.24 -0.92 0.00 0.00 0.00 179.25 177.84 3h1j h TYR 56 N 0.61 -0.61 0.76 0.00 3.20 0.67 0.61 116.97 122.21 3h1j h TYR 56 Ca 0.57 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 62.46 3h1j h TYR 56 Cb 0.98 0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.60 3h1j h TYR 56 CO -0.05 -0.32 -0.39 -0.07 -1.64 0.00 0.00 178.16 175.69 3h1j h LEU 57 N -0.12 -0.95 -1.47 2.82 3.38 -0.32 -1.82 115.31 116.83 3h1j h LEU 57 Ca 0.23 0.04 0.46 0.00 0.09 0.00 0.00 57.88 58.70 3h1j h LEU 57 Cb 0.49 0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.37 3h1j h LEU 57 CO -0.58 -0.65 0.92 0.25 0.09 0.00 0.00 178.44 178.47 3h1j h LEU 58 N -1.06 0.20 0.32 1.67 5.85 -0.49 0.36 115.31 122.17 3h1j h LEU 58 Ca -0.10 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3h1j h LEU 58 Cb 0.83 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3h1j h LEU 58 CO 0.15 -0.18 -0.16 0.22 -0.34 0.00 0.00 178.44 178.13 3h1j h TYR 59 N 0.05 -0.40 -0.76 1.25 3.20 -0.10 -1.95 116.97 118.25 3h1j h TYR 59 Ca 0.85 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.88 3h1j h TYR 59 Cb 2.76 0.13 -0.14 0.00 1.54 0.00 0.00 36.73 41.03 3h1j h TYR 59 CO -0.00 -0.25 -0.03 0.77 -1.64 0.00 0.00 178.16 177.00 3h1j h SER 60 N -0.50 -0.42 0.40 -2.11 0.02 0.15 0.24 113.55 111.33 3h1j h SER 60 Ca -0.04 0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3h1j h SER 60 Cb 0.33 0.37 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 3h1j h SER 60 CO 0.07 -0.20 -0.24 -0.25 -1.14 0.00 0.00 176.83 175.07 3h1j h TRP 61 N 0.08 -0.65 -1.01 3.45 7.01 -1.03 0.18 115.95 123.98 3h1j h TRP 61 Ca 0.41 -0.01 0.24 0.00 2.11 0.00 0.00 58.89 61.64 3h1j h TRP 61 Cb 0.71 0.23 -0.11 0.00 -2.10 0.00 0.00 29.16 27.90 3h1j h TRP 61 CO -0.46 -0.36 0.63 0.78 -2.79 0.00 0.00 178.44 176.23 3h1j h GLY 62 N -0.60 1.58 0.60 2.65 0.00 -0.84 0.82 103.07 107.29 3h1j h GLY 62 Ca -0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 3h1j h GLY 62 CO 0.06 -0.15 -0.29 -0.84 0.00 0.00 0.00 176.54 175.32 3h1j h THR 63 N 0.55 0.00 -0.38 4.70 2.02 -0.33 -1.47 112.91 118.01 3h1j h THR 63 Ca 0.60 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 67.60 3h1j h THR 63 Cb 1.24 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.59 3h1j h THR 63 CO -0.37 0.00 -0.00 1.56 0.37 0.00 0.00 175.52 177.07 3h1j h GLN 64 N -1.06 0.10 -0.65 6.66 4.20 0.10 -0.98 115.11 123.47 3h1j h GLN 64 Ca -0.08 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.70 3h1j h GLN 64 Cb 0.62 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 3h1j h GLN 64 CO 0.14 0.06 0.32 1.49 -0.67 0.00 0.00 178.83 180.17 3h1j h GLU 65 N 0.10 0.55 -0.66 1.46 4.57 0.61 0.35 114.58 121.56 3h1j h GLU 65 Ca 0.18 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3h1j h GLU 65 Cb 0.26 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3h1j h GLU 65 CO -0.31 0.36 0.44 0.35 -1.18 0.00 0.00 179.01 178.67 3h1j h PHE 66 N 0.57 0.83 -0.48 0.92 3.57 -0.57 -2.00 116.94 119.79 3h1j h PHE 66 Ca 0.31 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.72 3h1j h PHE 66 Cb 0.29 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3h1j h PHE 66 CO -0.11 0.52 -0.13 0.93 -2.23 0.00 0.00 178.31 177.29 3h1j h GLU 67 N 0.89 0.89 0.19 1.11 4.39 -0.09 -3.03 114.58 118.93 3h1j h GLU 67 Ca 0.24 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3h1j h GLU 67 Cb -0.10 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 3h1j h GLU 67 CO -0.05 0.96 -0.17 -0.09 -1.16 0.00 0.00 179.01 178.49 3h1j h ARG 68 N 0.79 -0.37 0.00 2.33 2.43 0.01 -0.11 114.38 119.45 3h1j h ARG 68 Ca 0.13 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3h1j h ARG 68 Cb 0.65 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3h1j h ARG 68 CO 0.05 -0.25 0.03 1.28 -1.51 0.00 0.00 179.97 179.57 3h1j n LEU 69 N -5.30 0.00 -0.05 3.80 4.77 -0.78 -1.49 117.00 117.95 3h1j n LEU 69 Ca -0.08 0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 56.05 3h1j n LEU 69 Cb 0.21 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 3h1j n LEU 69 CO 0.31 -0.17 -0.02 0.11 -1.33 0.00 0.00 177.39 176.28 3h1j h LYS 70 N 0.00 0.00 -6.18 3.23 1.79 -0.99 -3.47 116.57 110.94 3h1j h LYS 70 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 3h1j h LYS 70 Cb 0.06 0.00 0.20 0.00 -1.58 0.00 0.00 32.23 30.91 3h1j h LYS 70 CO 0.00 0.07 -1.14 0.54 -1.08 0.00 0.00 179.45 177.85 3h1j n ARG 71 N -4.75 0.08 -3.55 3.15 5.12 -0.55 -4.94 116.66 111.22 3h1j n ARG 71 Ca -0.02 0.04 -0.32 0.00 -1.93 0.00 0.00 57.85 55.62 3h1j n ARG 71 Cb 0.07 -1.23 -0.05 0.00 -1.16 0.00 0.00 32.46 30.09 3h1j n ARG 71 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3h1j s LYS 72 N -1.76 3.71 -0.52 5.56 -2.85 -1.26 -5.04 119.74 117.58 3h1j s LYS 72 Ca 0.55 0.09 -0.18 0.00 -1.00 0.00 0.00 55.97 55.43 3h1j s LYS 72 Cb -0.37 -2.77 0.07 0.00 -2.06 0.00 0.00 37.83 32.71 3h1j s LYS 72 CO 0.68 0.41 0.57 1.21 0.10 0.00 0.00 175.35 178.32 3h1j s ASN 73 N -2.36 6.19 0.54 0.03 2.47 -1.26 -4.94 114.94 115.61 3h1j s ASN 73 Ca 0.43 -1.17 0.38 0.00 0.42 0.00 0.00 52.86 52.92 3h1j s ASN 73 Cb -0.12 -2.26 1.56 0.00 -1.45 0.00 0.00 41.25 38.98 3h1j s ASN 73 CO 0.23 -0.87 1.77 1.55 -3.72 0.00 0.00 177.10 176.05 3h1j h PRO 74 N 8.96 0.02 0.00 0.43 0.13 -2.01 0.22 132.00 139.75 3h1j h PRO 74 Ca -0.28 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3h1j h PRO 74 Cb 1.10 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3h1j h PRO 74 CO 0.97 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.75 3h1j n ALA 75 N -2.78 1.47 0.38 -0.56 0.00 -1.26 -1.92 120.51 115.85 3h1j n ALA 75 Ca 0.29 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.82 3h1j n ALA 75 Cb 1.35 -1.09 0.10 0.00 0.00 0.00 0.00 19.45 19.82 3h1j n ALA 75 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3h1j h ASP 76 N 0.00 0.00 0.00 0.00 3.32 -1.37 -3.37 116.42 115.00 3h1j h ASP 76 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3h1j h ASP 76 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3h1j h ASP 76 CO 0.00 0.07 0.00 -1.22 -1.72 0.00 0.00 179.24 176.37 3h1j n TYR 77 N -2.36 0.00 1.21 4.55 4.02 -0.81 -4.70 117.16 119.08 3h1j n TYR 77 Ca 0.02 -0.29 0.01 0.00 -0.01 0.00 0.00 57.90 57.62 3h1j n TYR 77 Cb 0.48 -0.03 0.04 0.00 -0.02 0.00 0.00 39.34 39.82 3h1j n TYR 77 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3h1j n GLU 78 N -0.29 0.60 0.00 -0.72 1.02 -1.12 -5.16 120.64 114.98 3h1j n GLU 78 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 3h1j n GLU 78 Cb 0.30 -1.04 0.19 0.00 -0.02 0.00 0.00 31.44 30.87 3h1j n GLU 78 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40