#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h n HIS 3 N 0.00 0.00 -3.11 1.39 8.25 -1.26 -4.97 115.22 115.52 3h1h n HIS 3 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.01 3h1h n HIS 3 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 3h1h n HIS 3 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3h1h s PHE 4 N -0.21 3.02 0.00 4.41 2.99 -1.26 -3.90 117.98 123.03 3h1h s PHE 4 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 56.93 55.93 3h1h s PHE 4 Cb 0.00 -4.02 0.00 0.00 0.00 0.00 0.00 43.02 39.00 3h1h s PHE 4 CO 0.00 -1.30 0.00 0.41 -0.00 0.00 0.00 175.22 174.33 3h1h n GLY 5 N 5.26 1.01 0.40 4.36 0.00 -1.26 -4.96 105.19 110.00 3h1h n GLY 5 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.03 3h1h n GLY 5 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h1h n ASN 6 N 0.00 2.97 0.05 1.61 3.02 -1.25 -4.83 115.26 116.82 3h1h n ASN 6 Ca 0.00 -3.06 -0.03 0.00 -0.03 0.00 0.00 54.58 51.46 3h1h n ASN 6 Cb 0.00 -0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 38.68 3h1h n ASN 6 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h1h h LEU 7 N 0.72 -0.18 -7.33 3.41 3.38 -1.93 -3.49 115.31 109.89 3h1h h LEU 7 Ca 0.00 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3h1h h LEU 7 Cb 1.18 0.05 -0.18 0.00 0.09 0.00 0.00 40.66 41.79 3h1h h LEU 7 CO 0.09 0.21 -0.09 0.00 0.09 0.00 0.00 178.44 178.75 3h1h s ALA 8 N -3.15 -1.12 -0.57 1.53 0.00 -1.26 -5.10 121.76 112.08 3h1h s ALA 8 Ca -0.03 0.54 -0.24 0.00 0.00 0.00 0.00 51.96 52.23 3h1h s ALA 8 Cb 0.00 0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.37 3h1h s ALA 8 CO 0.09 -0.38 0.96 0.50 0.00 0.00 0.00 175.76 176.93 3h1h s ARG 9 N -1.86 3.30 -0.09 0.00 6.06 -1.26 -5.01 118.95 120.09 3h1h s ARG 9 Ca -0.09 -0.34 0.03 0.00 -2.50 0.00 0.00 55.73 52.84 3h1h s ARG 9 Cb -0.02 -4.08 -0.01 0.00 0.06 0.00 0.00 34.95 30.90 3h1h s ARG 9 CO 0.02 -1.56 -0.20 0.08 -2.50 0.00 0.00 175.30 171.15 3h1h s VAL 10 N 4.03 2.51 -0.01 7.11 1.01 -1.26 -5.13 120.40 128.67 3h1h s VAL 10 Ca 0.29 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3h1h s VAL 10 Cb -0.13 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3h1h s VAL 10 CO 0.18 0.56 -0.03 -0.13 0.00 0.00 0.00 175.10 175.67 3h1h s ARG 11 N -0.02 0.34 -0.95 2.72 0.52 -1.26 -4.93 118.95 115.37 3h1h s ARG 11 Ca -0.06 -0.11 -0.04 0.00 -0.52 0.00 0.00 55.73 55.00 3h1h s ARG 11 Cb -0.15 -0.36 0.00 0.00 0.52 0.00 0.00 34.95 34.97 3h1h s ARG 11 CO 0.05 0.05 0.48 0.72 0.02 0.00 0.00 175.30 176.61 3h1h n HIS 12 N 3.20 -1.39 -4.15 -0.53 8.25 -1.26 -5.03 115.22 114.31 3h1h n HIS 12 Ca -0.15 0.41 -0.33 0.00 -0.26 0.00 0.00 57.72 57.38 3h1h n HIS 12 Cb 0.57 -3.30 -0.16 0.00 1.12 0.00 0.00 29.99 28.22 3h1h n HIS 12 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h1h s ILE 13 N -3.00 2.21 -0.06 1.59 1.01 -1.26 -5.10 121.20 116.58 3h1h s ILE 13 Ca 0.24 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 3h1h s ILE 13 Cb -0.10 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 3h1h s ILE 13 CO 0.29 0.53 0.07 -0.63 0.00 0.00 0.00 174.94 175.20 3h1h s ILE 14 N 1.26 4.79 0.10 2.92 1.01 -1.26 -5.10 121.20 124.92 3h1h s ILE 14 Ca 0.04 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.55 3h1h s ILE 14 Cb -0.13 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 3h1h s ILE 14 CO -0.11 0.52 -0.12 0.42 0.00 0.00 0.00 174.94 175.64 3h1h s THR 15 N -1.04 1.12 -0.01 2.92 -4.23 -1.26 -5.15 115.64 108.00 3h1h s THR 15 Ca 0.17 -1.61 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 3h1h s THR 15 Cb -0.12 -1.37 -0.01 0.00 1.34 0.00 0.00 72.50 72.34 3h1h s THR 15 CO 0.07 -0.45 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.30 3h1h s TYR 16 N -2.12 0.89 0.07 3.99 1.51 -1.26 -5.15 117.35 115.28 3h1h s TYR 16 Ca 0.05 -0.17 -0.14 0.00 -1.01 0.00 0.00 57.07 55.81 3h1h s TYR 16 Cb -0.05 -0.57 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 3h1h s TYR 16 CO 0.02 -0.02 0.33 -1.12 -1.11 0.00 0.00 175.55 173.65 3h1h s SER 17 N -0.24 -0.14 0.18 2.29 0.01 -1.26 -5.18 113.70 109.37 3h1h s SER 17 Ca 0.04 -0.28 0.10 0.00 1.31 0.00 0.00 55.95 57.12 3h1h s SER 17 Cb -0.04 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 3h1h s SER 17 CO -0.00 -0.71 -0.19 -0.76 0.41 0.00 0.00 173.24 171.99 3h1h s LEU 18 N -2.40 2.62 0.65 2.44 1.43 -1.26 -5.10 118.68 117.05 3h1h s LEU 18 Ca -0.01 -0.74 -0.17 0.00 -1.03 0.00 0.00 54.13 52.18 3h1h s LEU 18 Cb 0.01 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 3h1h s LEU 18 CO -0.07 0.13 0.74 -0.24 0.23 0.00 0.00 176.35 177.14 3h1h n SER 19 N 0.29 -0.24 0.28 2.29 2.88 -1.26 -4.82 113.62 113.04 3h1h n SER 19 Ca -0.13 0.71 0.19 0.00 -1.33 0.00 0.00 58.87 58.31 3h1h n SER 19 Cb 0.55 -1.29 0.86 0.00 -0.75 0.00 0.00 64.21 63.58 3h1h n SER 19 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h1h h PRO 20 N 0.07 0.00 0.00 -1.46 0.11 -1.99 -2.37 132.00 126.37 3h1h h PRO 20 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h1h h PRO 20 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3h1h h PRO 20 CO 0.47 0.00 -0.33 1.19 -0.21 0.00 0.00 178.00 179.12 3h1h n PHE 21 N -2.96 0.05 0.72 0.65 3.72 -1.26 -3.41 117.46 114.97 3h1h n PHE 21 Ca -0.01 0.02 0.12 0.00 -0.05 0.00 0.00 57.45 57.53 3h1h n PHE 21 Cb 0.20 -0.37 0.14 0.00 -0.94 0.00 0.00 39.48 38.51 3h1h n PHE 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3h1h n GLU 22 N -1.55 2.39 -4.34 -1.08 -0.58 -0.89 -4.98 120.64 109.60 3h1h n GLU 22 Ca 0.06 -2.07 -0.18 0.00 -0.42 0.00 0.00 57.16 54.55 3h1h n GLU 22 Cb 0.35 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.64 3h1h n GLU 22 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 3h1h s GLN 23 N -1.79 1.51 0.00 3.49 -2.07 -1.22 -5.00 119.66 114.58 3h1h s GLN 23 Ca 0.32 -1.84 -0.20 0.00 -1.82 0.00 0.00 55.36 51.82 3h1h s GLN 23 Cb 0.21 -0.25 -0.06 0.00 -1.09 0.00 0.00 33.01 31.83 3h1h s GLN 23 CO 0.31 -0.35 0.57 1.03 -1.32 0.00 0.00 175.29 175.52 3h1h s ARG 24 N -3.94 4.27 0.05 9.60 0.52 -1.26 -4.96 118.95 123.24 3h1h s ARG 24 Ca 0.36 0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 55.98 3h1h s ARG 24 Cb 0.07 -3.32 -0.17 0.00 0.52 0.00 0.00 34.95 32.04 3h1h s ARG 24 CO 0.15 0.42 1.52 0.00 0.02 0.00 0.00 175.30 177.42 3h1h h ALA 25 N 5.45 -0.59 -3.50 2.13 0.00 -2.01 -3.36 119.26 117.38 3h1h h ALA 25 Ca -0.46 -0.16 -0.65 0.00 0.00 0.00 0.00 54.91 53.64 3h1h h ALA 25 Cb 1.20 0.23 -0.40 0.00 0.00 0.00 0.00 17.79 18.82 3h1h h ALA 25 CO 0.68 -0.78 -0.66 0.42 0.00 0.00 0.00 179.25 178.91 3h1h s ILE 26 N -5.64 2.48 0.26 0.00 1.01 -1.26 -5.10 121.20 112.95 3h1h s ILE 26 Ca -0.16 -2.93 0.06 0.00 0.00 0.00 0.00 60.65 57.63 3h1h s ILE 26 Cb 0.03 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3h1h s ILE 26 CO 0.60 -0.72 0.28 -2.16 0.00 0.00 0.00 174.94 172.94 3h1h s PRO 27 N 0.19 3.13 -1.25 2.79 0.04 -1.26 -4.68 135.00 133.96 3h1h s PRO 27 Ca 0.15 -0.95 -0.22 0.00 0.04 0.00 0.00 61.00 60.01 3h1h s PRO 27 Cb -0.23 -2.70 0.02 0.00 0.04 0.00 0.00 34.50 31.62 3h1h s PRO 27 CO -0.03 0.37 0.62 0.09 0.04 0.00 0.00 177.00 178.09 3h1h n ASN 28 N -1.31 -3.53 -0.28 6.66 3.02 -1.26 -4.63 115.26 113.93 3h1h n ASN 28 Ca -0.07 -1.17 -0.06 0.00 -0.03 0.00 0.00 54.58 53.25 3h1h n ASN 28 Cb 0.58 -2.41 0.06 0.00 -0.61 0.00 0.00 39.78 37.40 3h1h n ASN 28 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3h1h h ILE 29 N -2.21 1.25 0.08 2.41 2.04 -1.95 0.91 117.51 120.04 3h1h h ILE 29 Ca -0.68 -0.73 -0.37 0.00 1.00 0.00 0.00 64.86 64.08 3h1h h ILE 29 Cb 1.39 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3h1h h ILE 29 CO 0.54 0.30 -2.13 0.49 0.00 0.00 0.00 178.15 177.36 3h1h n PHE 30 N -4.35 0.85 0.16 1.37 3.01 -1.26 -0.51 117.46 116.73 3h1h n PHE 30 Ca 0.07 0.19 0.01 0.00 1.01 0.00 0.00 57.45 58.73 3h1h n PHE 30 Cb 0.15 -1.12 0.27 0.00 -0.01 0.00 0.00 39.48 38.77 3h1h n PHE 30 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3h1h h SER 31 N 0.05 0.00 0.00 4.37 4.64 -1.96 -3.39 113.55 117.26 3h1h h SER 31 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3h1h h SER 31 Cb 2.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 3h1h h SER 31 CO 0.04 0.49 -0.43 -0.67 -0.87 0.00 0.00 176.83 175.39 3h1h n ASP 32 N -3.84 0.11 0.00 4.97 2.03 -0.55 -4.83 116.55 114.45 3h1h n ASP 32 Ca -0.01 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.36 3h1h n ASP 32 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 3h1h n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1h n ALA 33 N -2.93 0.00 -0.25 -1.67 0.00 0.21 -2.74 120.51 113.13 3h1h n ALA 33 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3h1h n ALA 33 Cb 0.22 0.10 0.10 0.00 0.00 0.00 0.00 19.45 19.87 3h1h n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h1h h LEU 34 N 0.00 -0.56 -1.23 0.00 3.38 -1.05 -0.47 115.31 115.38 3h1h h LEU 34 Ca 0.00 0.21 0.27 0.00 0.09 0.00 0.00 57.88 58.45 3h1h h LEU 34 Cb 0.00 0.41 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 3h1h h LEU 34 CO 0.00 -0.22 0.65 -0.65 0.09 0.00 0.00 178.44 178.32 3h1h h PRO 35 N 0.03 0.42 0.10 1.13 0.11 -1.75 0.19 132.00 132.23 3h1h h PRO 35 Ca 0.36 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 66.17 3h1h h PRO 35 Cb 0.58 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.61 3h1h h PRO 35 CO -0.70 0.28 -1.18 -0.91 -0.21 0.00 0.00 178.00 175.28 3h1h h ASN 36 N 0.43 0.62 -0.59 -2.05 2.35 -0.91 -0.72 115.58 114.70 3h1h h ASN 36 Ca 0.63 -0.58 0.08 0.00 -0.55 0.00 0.00 56.30 55.88 3h1h h ASN 36 Cb 1.49 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 39.60 3h1h h ASN 36 CO -0.38 1.42 0.25 0.58 -1.65 0.00 0.00 177.43 177.65 3h1h h VAL 37 N 0.18 0.83 -0.09 2.81 2.07 -0.01 0.34 116.25 122.37 3h1h h VAL 37 Ca -0.14 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3h1h h VAL 37 Cb 1.86 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3h1h h VAL 37 CO 0.21 0.08 0.01 -0.25 0.02 0.00 0.00 177.57 177.64 3h1h h TRP 38 N 0.45 0.17 -0.52 1.57 2.91 -0.98 -1.45 115.95 118.10 3h1h h TRP 38 Ca 0.29 -0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.39 3h1h h TRP 38 Cb 0.31 -0.05 -0.10 0.00 -0.51 0.00 0.00 29.16 28.81 3h1h h TRP 38 CO -0.15 0.37 -0.20 -0.09 -1.03 0.00 0.00 178.44 177.35 3h1h h ARG 39 N -0.08 -0.08 -0.57 2.65 2.43 0.29 0.14 114.38 119.16 3h1h h ARG 39 Ca 0.03 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3h1h h ARG 39 Cb 0.30 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3h1h h ARG 39 CO 0.00 -0.05 0.30 0.00 -1.51 0.00 0.00 179.97 178.71 3h1h h ARG 40 N -0.08 0.81 -0.74 0.20 3.08 -0.30 -2.35 114.38 115.00 3h1h h ARG 40 Ca 0.24 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.22 3h1h h ARG 40 Cb 0.46 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 3h1h h ARG 40 CO -0.58 0.63 0.47 0.35 -1.07 0.00 0.00 179.97 179.78 3h1h h PHE 41 N 0.78 0.89 0.15 3.04 3.57 -0.08 -3.05 116.94 122.24 3h1h h PHE 41 Ca 0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 3h1h h PHE 41 Cb 0.07 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.51 3h1h h PHE 41 CO -0.01 0.52 -0.07 0.77 -2.23 0.00 0.00 178.31 177.29 3h1h h SER 42 N 0.94 -0.17 -0.17 0.41 0.02 -0.75 -2.44 113.55 111.39 3h1h h SER 42 Ca 0.29 -0.17 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 3h1h h SER 42 Cb -0.02 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3h1h h SER 42 CO -0.10 0.07 0.48 0.77 -1.14 0.00 0.00 176.83 176.92 3h1h h SER 43 N -0.42 0.00 0.00 3.07 4.64 -1.32 -3.12 113.55 116.39 3h1h h SER 43 Ca -0.02 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.08 3h1h h SER 43 Cb 0.33 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 3h1h h SER 43 CO 0.03 0.00 -1.83 0.00 -0.87 0.00 0.00 176.83 174.16 3h1h n GLN 44 N -3.09 1.03 -0.26 4.77 1.13 -1.15 -4.75 117.38 115.06 3h1h n GLN 44 Ca 0.02 0.05 -0.00 0.00 -1.94 0.00 0.00 57.00 55.13 3h1h n GLN 44 Cb 0.57 -1.30 0.04 0.00 0.11 0.00 0.00 30.24 29.66 3h1h n GLN 44 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3h1h n VAL 45 N -2.74 -0.35 1.03 5.09 0.31 -0.93 0.99 118.33 121.72 3h1h n VAL 45 Ca -0.24 1.60 0.05 0.00 -0.01 0.00 0.00 64.34 65.74 3h1h n VAL 45 Cb 0.82 -2.12 0.32 0.00 -0.91 0.00 0.00 33.84 31.95 3h1h n VAL 45 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3h1h n PHE 46 N -5.02 0.00 -0.07 3.52 3.72 -1.26 -1.26 117.46 117.10 3h1h n PHE 46 Ca 0.08 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.36 3h1h n PHE 46 Cb 0.28 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.77 3h1h n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3h1h n LYS 47 N -0.83 0.31 0.00 -1.08 5.02 0.28 -4.71 118.16 117.15 3h1h n LYS 47 Ca 0.08 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3h1h n LYS 47 Cb 0.04 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 3h1h n LYS 47 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3h1h n VAL 48 N -3.23 0.00 -0.24 -0.18 0.31 -0.90 -4.53 118.33 109.56 3h1h n VAL 48 Ca -0.25 0.44 -0.00 0.00 -0.01 0.00 0.00 64.34 64.51 3h1h n VAL 48 Cb 0.72 -1.33 0.03 0.00 -0.91 0.00 0.00 33.84 32.35 3h1h n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1h n ALA 49 N -1.89 -0.07 -0.94 3.52 0.00 -0.38 -2.96 120.51 117.79 3h1h n ALA 49 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3h1h n ALA 49 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3h1h n ALA 49 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3h1h n PRO 50 N -4.92 0.00 -0.08 0.00 -0.02 -1.26 -0.35 135.00 128.38 3h1h n PRO 50 Ca 0.07 0.52 0.26 0.00 -2.02 0.00 0.00 63.50 62.32 3h1h n PRO 50 Cb 0.25 -1.03 0.68 0.00 -0.02 0.00 0.00 33.50 33.38 3h1h n PRO 50 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1h h PRO 51 N 0.00 0.00 -0.09 0.52 0.13 -1.79 0.41 132.00 131.19 3h1h h PRO 51 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.91 3h1h h PRO 51 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 3h1h h PRO 51 CO 0.00 0.00 -0.84 0.74 -0.23 0.00 0.00 178.00 177.67 3h1h h PHE 52 N 0.00 0.89 -0.11 1.56 0.05 -1.22 -2.07 116.94 116.04 3h1h h PHE 52 Ca 0.35 -0.42 -0.04 0.00 3.82 0.00 0.00 57.97 61.68 3h1h h PHE 52 Cb 1.78 -0.13 -0.00 0.00 2.00 0.00 0.00 35.95 39.61 3h1h h PHE 52 CO 0.00 1.24 -0.09 1.25 -0.18 0.00 0.00 178.31 180.53 3h1h h LEU 53 N 0.42 0.28 -0.96 1.54 5.85 0.26 -2.11 115.31 120.59 3h1h h LEU 53 Ca -0.07 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3h1h h LEU 53 Cb 1.46 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.41 3h1h h LEU 53 CO 0.16 0.68 0.05 0.61 -0.34 0.00 0.00 178.44 179.60 3h1h n GLY 54 N 0.14 -0.72 0.08 3.75 0.00 0.85 -1.22 105.19 108.08 3h1h n GLY 54 Ca -0.07 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 3h1h n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1h h ALA 55 N 1.85 0.13 -0.69 4.61 0.00 -0.89 -3.29 119.26 120.98 3h1h h ALA 55 Ca 0.00 -0.79 0.13 0.00 0.00 0.00 0.00 54.91 54.25 3h1h h ALA 55 Cb 0.10 0.45 -0.13 0.00 0.00 0.00 0.00 17.79 18.21 3h1h h ALA 55 CO 0.00 0.43 -0.24 -0.92 0.00 0.00 0.00 179.25 178.52 3h1h h TYR 56 N -1.00 -0.59 0.14 0.00 3.20 -0.51 0.33 116.97 118.55 3h1h h TYR 56 Ca -0.17 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3h1h h TYR 56 Cb 0.95 0.36 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 3h1h h TYR 56 CO 0.07 -0.34 -0.32 -0.07 -1.64 0.00 0.00 178.16 175.86 3h1h h LEU 57 N -0.05 -0.95 -1.31 2.82 3.38 -1.54 0.21 115.31 117.87 3h1h h LEU 57 Ca 0.31 0.09 0.34 0.00 0.09 0.00 0.00 57.88 58.71 3h1h h LEU 57 Cb 0.54 0.34 -0.12 0.00 0.09 0.00 0.00 40.66 41.51 3h1h h LEU 57 CO -0.73 -0.36 0.71 0.25 0.09 0.00 0.00 178.44 178.40 3h1h h LEU 58 N -0.51 0.39 0.25 1.67 5.85 -1.33 0.31 115.31 121.94 3h1h h LEU 58 Ca -0.01 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3h1h h LEU 58 Cb 0.49 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3h1h h LEU 58 CO -0.14 -0.05 -0.12 0.22 -0.34 0.00 0.00 178.44 178.01 3h1h h TYR 59 N 0.27 -0.31 -0.20 1.25 3.20 0.56 -1.92 116.97 119.81 3h1h h TYR 59 Ca 0.70 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.60 3h1h h TYR 59 Cb 1.92 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 40.26 3h1h h TYR 59 CO -0.00 -0.03 0.01 0.77 -1.64 0.00 0.00 178.16 177.26 3h1h h SER 60 N -0.59 -0.06 0.14 -2.11 0.02 0.25 -0.43 113.55 110.78 3h1h h SER 60 Ca -0.03 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h1h h SER 60 Cb 0.43 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 3h1h h SER 60 CO 0.06 -0.00 -0.12 -0.25 -1.14 0.00 0.00 176.83 175.37 3h1h h TRP 61 N 0.08 -0.33 -1.09 3.45 7.01 -0.69 -0.25 115.95 124.12 3h1h h TRP 61 Ca 0.09 0.00 0.34 0.00 2.11 0.00 0.00 58.89 61.44 3h1h h TRP 61 Cb 0.11 0.13 -0.13 0.00 -2.10 0.00 0.00 29.16 27.16 3h1h h TRP 61 CO -0.17 -0.17 0.66 0.78 -2.79 0.00 0.00 178.44 176.76 3h1h h GLY 62 N -0.26 1.72 0.65 2.65 0.00 -1.29 0.14 103.07 106.68 3h1h h GLY 62 Ca -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3h1h h GLY 62 CO -0.00 -0.41 -0.29 -0.84 0.00 0.00 0.00 176.54 175.01 3h1h h THR 63 N 0.28 0.12 -1.00 4.70 2.02 -0.73 -2.38 112.91 115.91 3h1h h THR 63 Ca 0.73 -0.40 0.06 0.00 0.77 0.00 0.00 66.41 67.57 3h1h h THR 63 Cb 1.88 0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 68.39 3h1h h THR 63 CO -0.50 0.02 0.65 1.56 0.37 0.00 0.00 175.52 177.61 3h1h h GLN 64 N -1.16 1.14 -0.77 6.66 4.20 0.07 -1.99 115.11 123.27 3h1h h GLN 64 Ca -0.08 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 3h1h h GLN 64 Cb 0.65 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 3h1h h GLN 64 CO 0.13 0.76 0.35 1.49 -0.67 0.00 0.00 178.83 180.90 3h1h h GLU 65 N 1.18 1.12 -0.02 1.46 4.57 -0.84 -0.29 114.58 121.75 3h1h h GLU 65 Ca 0.43 -0.17 0.01 0.00 -1.18 0.00 0.00 59.36 58.44 3h1h h GLU 65 Cb 0.15 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3h1h h GLU 65 CO -0.17 0.88 -0.03 0.35 -1.18 0.00 0.00 179.01 178.86 3h1h h PHE 66 N 1.09 -0.07 -0.72 0.92 3.57 -0.82 -0.67 116.94 120.23 3h1h h PHE 66 Ca 0.26 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 3h1h h PHE 66 Cb 0.14 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 3h1h h PHE 66 CO 0.01 -0.05 0.42 0.93 -2.23 0.00 0.00 178.31 177.39 3h1h h GLU 67 N -0.04 0.98 -0.49 1.11 4.39 -1.20 -2.43 114.58 116.89 3h1h h GLU 67 Ca 0.02 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3h1h h GLU 67 Cb 0.07 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3h1h h GLU 67 CO -0.05 0.70 0.23 -0.09 -1.16 0.00 0.00 179.01 178.64 3h1h h ARG 68 N 1.00 0.71 0.00 2.33 2.43 -0.42 -1.85 114.38 118.58 3h1h h ARG 68 Ca 0.26 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3h1h h ARG 68 Cb -0.02 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3h1h h ARG 68 CO -0.05 0.60 0.00 1.28 -1.51 0.00 0.00 179.97 180.29 3h1h n LEU 69 N -4.61 0.00 0.00 3.80 4.77 -0.32 -1.41 117.00 119.23 3h1h n LEU 69 Ca 0.02 0.17 0.02 0.00 -0.03 0.00 0.00 56.01 56.19 3h1h n LEU 69 Cb 0.12 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 40.93 3h1h n LEU 69 CO 0.37 -0.10 -0.54 0.29 -1.33 0.00 0.00 177.39 176.08 3h1h n LYS 70 N -1.17 0.64 -2.09 3.23 5.02 -0.71 -4.93 118.16 118.16 3h1h n LYS 70 Ca 0.08 0.06 -0.34 0.00 -2.02 0.00 0.00 58.31 56.09 3h1h n LYS 70 Cb 0.08 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 33.42 3h1h n LYS 70 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3h1h s ARG 71 N -3.04 3.23 0.14 1.97 1.81 -0.50 -5.02 118.95 117.53 3h1h s ARG 71 Ca -0.05 1.42 -0.15 0.00 -1.72 0.00 0.00 55.73 55.23 3h1h s ARG 71 Cb 0.10 -2.01 -0.07 0.00 -0.45 0.00 0.00 34.95 32.52 3h1h s ARG 71 CO 0.84 -0.91 0.55 -1.59 -0.68 0.00 0.00 175.30 173.51 3h1h s LYS 72 N -3.70 4.00 -0.42 3.54 -2.85 -1.26 -5.03 119.74 114.01 3h1h s LYS 72 Ca 0.68 0.51 -0.17 0.00 -1.00 0.00 0.00 55.97 56.00 3h1h s LYS 72 Cb -0.20 -2.95 0.02 0.00 -2.06 0.00 0.00 37.83 32.64 3h1h s LYS 72 CO 0.33 0.49 0.41 1.21 0.10 0.00 0.00 175.35 177.88 3h1h s ASN 73 N -1.67 6.17 0.66 0.03 2.47 -1.26 -4.95 114.94 116.40 3h1h s ASN 73 Ca 0.37 -0.76 0.28 0.00 0.42 0.00 0.00 52.86 53.17 3h1h s ASN 73 Cb -0.15 -2.21 1.51 0.00 -1.45 0.00 0.00 41.25 38.95 3h1h s ASN 73 CO 0.19 -0.56 1.85 1.55 -3.72 0.00 0.00 177.10 176.41 3h1h h PRO 74 N 8.71 0.00 -0.39 0.43 0.13 -2.00 -2.12 132.00 136.75 3h1h h PRO 74 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3h1h h PRO 74 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3h1h h PRO 74 CO 0.79 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.56 3h1h n ALA 75 N -1.87 2.02 -0.00 -0.56 0.00 -1.26 -1.71 120.51 117.13 3h1h n ALA 75 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.46 3h1h n ALA 75 Cb 0.43 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 3h1h n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h1h n ASP 76 N -0.08 3.14 -0.16 0.00 8.00 -0.80 -4.66 116.55 121.99 3h1h n ASP 76 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 3h1h n ASP 76 Cb 0.10 1.35 0.04 0.00 -0.02 0.00 0.00 41.12 42.58 3h1h n ASP 76 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h1h n TYR 77 N -1.80 0.11 0.26 1.24 0.53 -0.69 -4.58 117.16 112.21 3h1h n TYR 77 Ca -0.02 -0.44 0.13 0.00 -1.02 0.00 0.00 57.90 56.55 3h1h n TYR 77 Cb 0.23 -0.04 0.66 0.00 -1.03 0.00 0.00 39.34 39.16 3h1h n TYR 77 CO 0.00 0.00 0.00 0.93 -1.02 0.00 0.00 176.86 176.77 3h1h h GLU 78 N 0.54 0.00 -5.21 -0.72 5.08 -1.77 -3.42 114.58 109.08 3h1h h GLU 78 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 3h1h h GLU 78 Cb 0.51 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.59 3h1h h GLU 78 CO 0.00 0.14 -0.56 -0.80 -1.00 0.00 0.00 179.01 176.79 3h1h s ASN 79 N -6.06 5.66 0.00 1.42 0.02 -1.26 -5.16 114.94 109.56 3h1h s ASN 79 Ca -0.01 0.05 0.00 0.00 -1.02 0.00 0.00 52.86 51.88 3h1h s ASN 79 Cb 0.12 -1.99 0.00 0.00 0.02 0.00 0.00 41.25 39.40 3h1h s ASN 79 CO 0.59 0.13 0.00 -0.67 0.02 0.00 0.00 177.10 177.17