#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsa s ASP 15 N 0.00 6.07 0.28 4.52 -1.08 -1.26 -4.88 116.67 120.31 3hsa s ASP 15 Ca 0.00 0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 3hsa s ASP 15 Cb 0.00 -2.55 0.39 0.00 -1.46 0.00 0.00 42.92 39.31 3hsa s ASP 15 CO 0.00 -1.80 1.77 -0.07 0.52 0.00 0.00 175.17 175.59 3hsa h LEU 16 N 13.35 0.65 -0.86 -1.34 3.38 -2.00 -1.63 115.31 126.86 3hsa h LEU 16 Ca -0.27 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3hsa h LEU 16 Cb 1.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3hsa h LEU 16 CO 1.21 0.76 0.00 0.61 0.09 0.00 0.00 178.44 181.11 3hsa n GLY 17 N -0.60 0.15 0.00 0.83 0.00 -1.26 -0.78 105.19 103.53 3hsa n GLY 17 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3hsa n GLY 17 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hsa n LEU 19 N 0.30 0.00 -0.29 0.99 7.94 -0.61 -2.05 117.00 123.28 3hsa n LEU 19 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 3hsa n LEU 19 Cb 0.03 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.12 3hsa n LEU 19 CO 0.00 0.00 1.16 0.00 -1.11 0.00 0.00 177.39 177.44 3hsa h ALA 20 N 0.00 1.12 -0.54 1.96 0.00 -1.22 0.40 119.26 120.97 3hsa h ALA 20 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3hsa h ALA 20 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hsa h ALA 20 CO 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 179.25 179.32 3hsa h ALA 21 N 1.41 0.78 -0.08 0.00 0.00 -1.67 -1.40 119.26 118.30 3hsa h ALA 21 Ca 0.37 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3hsa h ALA 21 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hsa h ALA 21 CO -0.20 0.67 -0.55 0.93 0.00 0.00 0.00 179.25 180.11 3hsa h GLU 22 N 0.91 0.23 0.00 0.00 5.08 -1.65 -2.80 114.58 116.35 3hsa h GLU 22 Ca 0.14 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hsa h GLU 22 Cb 0.67 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3hsa h GLU 22 CO 0.05 0.72 -0.42 1.28 -1.00 0.00 0.00 179.01 179.64 3hsa n LEU 23 N -3.91 0.54 -0.36 1.33 4.77 0.06 -4.44 117.00 114.99 3hsa n LEU 23 Ca -0.02 0.23 0.32 0.00 -0.03 0.00 0.00 56.01 56.52 3hsa n LEU 23 Cb 0.58 -0.27 0.66 0.00 -2.33 0.00 0.00 43.42 42.06 3hsa n LEU 23 CO 0.44 -0.00 1.29 0.77 -1.33 0.00 0.00 177.39 178.55 3hsa h SER 24 N 0.00 0.19 0.09 -1.43 4.64 -0.96 -1.18 113.55 114.89 3hsa h SER 24 Ca 0.00 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3hsa h SER 24 Cb 0.63 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3hsa h SER 24 CO 0.00 0.00 -0.02 -0.65 -0.87 0.00 0.00 176.83 175.30 3hsa h PRO 25 N 0.15 0.00 -0.13 4.77 0.11 -1.80 -2.91 132.00 132.19 3hsa h PRO 25 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3hsa h PRO 25 Cb 2.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.25 3hsa h PRO 25 CO -0.16 0.02 0.00 0.44 -0.21 0.00 0.00 178.00 178.09 3hsa n ILE 26 N -3.57 0.38 -3.42 4.15 -5.35 -0.45 -5.01 119.36 106.09 3hsa n ILE 26 Ca -0.03 -0.69 -0.30 0.00 -0.27 0.00 0.00 62.75 61.46 3hsa n ILE 26 Cb 0.11 0.94 -0.04 0.00 -1.74 0.00 0.00 39.64 38.91 3hsa n ILE 26 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3hsa s LEU 27 N -0.91 4.12 0.67 7.28 1.43 -1.10 -5.08 118.68 125.10 3hsa s LEU 27 Ca 0.15 0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 53.85 3hsa s LEU 27 Cb 0.09 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 42.79 3hsa s LEU 27 CO 0.13 -0.12 1.13 -0.83 0.23 0.00 0.00 176.35 176.90 3hsa s GLY 28 N -2.83 2.22 0.43 -3.19 0.00 -1.26 -4.93 107.32 97.76 3hsa s GLY 28 Ca 0.44 0.64 0.10 0.00 0.00 0.00 0.00 44.72 45.91 3hsa s GLY 28 CO 0.27 1.01 2.02 -0.55 0.00 0.00 0.00 173.10 175.85 3hsa h ASP 29 N -0.00 0.27 -0.73 1.64 3.32 -1.98 -2.58 116.42 116.36 3hsa h ASP 29 Ca -0.47 -0.02 -0.29 0.00 0.02 0.00 0.00 57.03 56.27 3hsa h ASP 29 Cb 1.26 -0.07 -0.17 0.00 0.22 0.00 0.00 39.33 40.57 3hsa h ASP 29 CO 0.53 0.28 0.32 -0.46 -1.72 0.00 0.00 179.24 178.19 3hsa n ASN 30 N -4.41 4.08 -4.47 6.45 6.94 -1.26 -4.94 115.26 117.65 3hsa n ASN 30 Ca 0.00 -3.41 -0.33 0.00 -0.02 0.00 0.00 54.58 50.81 3hsa n ASN 30 Cb 0.15 -0.74 -0.13 0.00 -2.36 0.00 0.00 39.78 36.70 3hsa n ASN 30 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3hsa s GLU 31 N -3.12 3.53 -0.15 -3.83 2.12 -0.97 -5.04 118.70 111.24 3hsa s GLU 31 Ca 0.53 -0.57 -0.04 0.00 0.36 0.00 0.00 54.97 55.25 3hsa s GLU 31 Cb 0.44 -2.81 -0.03 0.00 0.26 0.00 0.00 34.13 31.99 3hsa s GLU 31 CO 0.10 0.27 -0.01 -2.00 -0.54 0.00 0.00 175.26 173.08 3hsa s GLU 32 N 0.27 3.60 0.08 4.30 2.12 -1.26 -4.79 118.70 123.02 3hsa s GLU 32 Ca -0.05 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 3hsa s GLU 32 Cb -0.14 -2.96 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 3hsa s GLU 32 CO 0.04 0.35 1.04 -1.17 -0.54 0.00 0.00 175.26 174.98 3hsa s LEU 33 N 0.09 4.43 -0.05 2.70 0.20 -1.26 -0.05 118.68 124.74 3hsa s LEU 33 Ca 0.01 1.85 -0.01 0.00 0.69 0.00 0.00 54.13 56.68 3hsa s LEU 33 Cb -0.13 -3.58 -0.03 0.00 -0.43 0.00 0.00 46.19 42.02 3hsa s LEU 33 CO 0.02 -0.24 -0.05 0.00 -0.29 0.00 0.00 176.35 175.79 3hsa n GLN 34 N 3.31 0.11 -3.75 1.98 6.02 0.35 -4.92 117.38 120.48 3hsa n GLN 34 Ca 0.05 0.03 -0.13 0.00 -0.01 0.00 0.00 57.00 56.95 3hsa n GLN 34 Cb 0.49 -0.93 -0.08 0.00 1.02 0.00 0.00 30.24 30.74 3hsa n GLN 34 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hsa s LEU 35 N -5.64 0.83 -0.06 1.08 1.43 -0.94 -5.02 118.68 110.36 3hsa s LEU 35 Ca -0.06 -0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 3hsa s LEU 35 Cb 0.02 1.34 0.02 0.00 0.03 0.00 0.00 46.19 47.59 3hsa s LEU 35 CO 0.10 -0.53 0.17 0.00 0.23 0.00 0.00 176.35 176.32 3hsa s ALA 36 N -1.90 -0.42 0.00 4.21 0.00 -1.26 -0.17 121.76 122.22 3hsa s ALA 36 Ca -0.09 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.30 3hsa s ALA 36 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3hsa s ALA 36 CO 0.01 -0.09 0.00 0.66 0.00 0.00 0.00 175.76 176.33 3hsa n TYR 37 N 2.85 0.00 0.43 0.00 4.02 0.36 -4.83 117.16 119.99 3hsa n TYR 37 Ca -0.13 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.57 3hsa n TYR 37 Cb 0.58 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.81 3hsa n TYR 37 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3hsa h VAL 40 N 0.50 0.21 -0.01 -0.72 2.07 -2.02 0.53 116.25 116.81 3hsa h VAL 40 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3hsa h VAL 40 Cb 0.00 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3hsa h VAL 40 CO 0.00 0.00 -0.18 -2.11 0.02 0.00 0.00 177.57 175.30 3hsa n ARG 41 N -5.54 1.82 -5.19 1.57 1.85 -1.26 -5.01 116.66 104.89 3hsa n ARG 41 Ca -0.15 -0.69 -0.30 0.00 -1.00 0.00 0.00 57.85 55.71 3hsa n ARG 41 Cb 0.43 -1.11 -0.16 0.00 -1.05 0.00 0.00 32.46 30.58 3hsa n ARG 41 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3hsa s ASP 42 N -1.29 3.03 -0.17 2.89 1.01 -1.26 -4.05 116.67 116.81 3hsa s ASP 42 Ca 0.09 -0.49 0.00 0.00 0.71 0.00 0.00 52.55 52.86 3hsa s ASP 42 Cb 0.08 -0.32 0.04 0.00 1.01 0.00 0.00 42.92 43.73 3hsa s ASP 42 CO 0.24 0.30 -0.10 -0.22 0.21 0.00 0.00 175.17 175.60 3hsa s LEU 43 N -0.75 1.93 -0.37 1.23 2.96 0.62 -4.99 118.68 119.31 3hsa s LEU 43 Ca 0.10 -0.71 -0.17 0.00 -0.22 0.00 0.00 54.13 53.13 3hsa s LEU 43 Cb -0.10 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.46 3hsa s LEU 43 CO -0.00 -0.13 0.43 -0.36 -1.32 0.00 0.00 176.35 174.96 3hsa s PHE 44 N 1.49 3.19 -0.23 5.38 0.40 0.18 -0.61 117.98 127.77 3hsa s PHE 44 Ca 0.01 -0.09 -0.05 0.00 -0.60 0.00 0.00 56.93 56.20 3hsa s PHE 44 Cb -0.15 -2.82 -0.02 0.00 0.51 0.00 0.00 43.02 40.55 3hsa s PHE 44 CO -0.09 -0.56 -0.00 0.08 0.70 0.00 0.00 175.22 175.35 3hsa s VAL 45 N 2.16 3.72 -0.36 -0.44 1.01 -0.34 -0.49 120.40 125.66 3hsa s VAL 45 Ca 0.14 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 3hsa s VAL 45 Cb -0.16 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.51 3hsa s VAL 45 CO 0.13 0.40 0.24 -0.36 0.00 0.00 0.00 175.10 175.51 3hsa s PHE 46 N 1.46 3.23 0.55 5.22 0.40 0.76 -0.35 117.98 129.25 3hsa s PHE 46 Ca 0.05 -0.46 0.08 0.00 -0.60 0.00 0.00 56.93 56.00 3hsa s PHE 46 Cb -0.15 -2.49 0.06 0.00 0.51 0.00 0.00 43.02 40.96 3hsa s PHE 46 CO -0.00 -0.48 0.65 0.95 0.70 0.00 0.00 175.22 177.04 3hsa s THR 47 N 1.68 2.10 -1.45 0.64 -4.23 -1.26 -0.49 115.64 112.63 3hsa s THR 47 Ca 0.05 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 3hsa s THR 47 Cb -0.18 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.41 3hsa s THR 47 CO 0.09 0.00 0.12 -1.54 -0.54 0.00 0.00 174.62 172.75 3hsa n SER 48 N -2.06 0.09 -4.70 3.99 3.41 0.92 -4.77 113.62 110.50 3hsa n SER 48 Ca 0.10 -0.32 -0.30 0.00 -0.26 0.00 0.00 58.87 58.09 3hsa n SER 48 Cb 0.62 -0.04 0.14 0.00 -0.26 0.00 0.00 64.21 64.67 3hsa n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hsa s ARG 50 N -1.45 1.17 -0.18 4.33 1.70 -1.26 -5.01 118.95 118.25 3hsa s ARG 50 Ca 0.00 0.88 -0.22 0.00 -0.47 0.00 0.00 55.73 55.92 3hsa s ARG 50 Cb 0.00 -1.79 -0.02 0.00 -0.57 0.00 0.00 34.95 32.56 3hsa s ARG 50 CO 0.00 -2.32 0.67 -1.17 -1.08 0.00 0.00 175.30 171.40 3hsa s LEU 51 N -6.29 4.17 -0.41 -1.89 2.96 -0.55 -4.49 118.68 112.18 3hsa s LEU 51 Ca 0.64 0.93 -0.11 0.00 -0.22 0.00 0.00 54.13 55.37 3hsa s LEU 51 Cb -0.19 -2.97 0.06 0.00 0.50 0.00 0.00 46.19 43.59 3hsa s LEU 51 CO 0.57 -0.28 0.27 -0.63 -1.32 0.00 0.00 176.35 174.97 3hsa s ILE 52 N 1.82 4.55 -0.40 6.68 1.01 0.53 -0.21 121.20 135.16 3hsa s ILE 52 Ca 0.31 -1.15 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 3hsa s ILE 52 Cb -0.16 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.64 3hsa s ILE 52 CO 0.11 -0.43 0.61 -0.22 0.00 0.00 0.00 174.94 175.02 3hsa s LEU 53 N 1.51 4.43 -0.27 2.97 2.96 0.88 -1.20 118.68 129.96 3hsa s LEU 53 Ca 0.03 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.68 3hsa s LEU 53 Cb -0.22 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.74 3hsa s LEU 53 CO 0.05 -0.68 0.09 -0.63 -1.32 0.00 0.00 176.35 173.85 3hsa s ILE 54 N 2.70 4.30 0.51 6.68 1.01 0.22 -0.92 121.20 135.70 3hsa s ILE 54 Ca 0.22 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.58 3hsa s ILE 54 Cb -0.14 -3.09 -0.00 0.00 0.01 0.00 0.00 42.46 39.24 3hsa s ILE 54 CO 0.17 0.23 0.18 -0.62 0.00 0.00 0.00 174.94 174.90 3hsa s ASP 55 N 1.59 4.35 0.30 3.58 2.15 -0.36 -0.28 116.67 128.00 3hsa s ASP 55 Ca 0.05 -1.42 -0.07 0.00 0.43 0.00 0.00 52.55 51.54 3hsa s ASP 55 Cb -0.16 0.33 0.03 0.00 -0.30 0.00 0.00 42.92 42.82 3hsa s ASP 55 CO 0.04 -0.90 0.53 0.00 -0.17 0.00 0.00 175.17 174.67 3hsa n GLN 57 N -1.45 0.76 0.00 4.34 6.02 -1.26 -0.78 117.38 125.02 3hsa n GLN 57 Ca -0.10 -1.95 0.00 0.00 -0.01 0.00 0.00 57.00 54.94 3hsa n GLN 57 Cb 0.66 2.18 0.00 0.00 1.02 0.00 0.00 30.24 34.09 3hsa n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hsa n GLY 58 N -0.44 1.67 0.28 1.08 0.00 -1.26 -4.83 105.19 101.69 3hsa n GLY 58 Ca -0.04 -1.98 0.12 0.00 0.00 0.00 0.00 46.02 44.11 3hsa n GLY 58 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3hsa h VAL 59 N 0.00 0.75 -0.26 1.61 -1.51 -2.05 -1.13 116.25 113.66 3hsa h VAL 59 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 3hsa h VAL 59 Cb 0.00 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 3hsa h VAL 59 CO 0.00 0.02 0.00 0.35 -1.23 0.00 0.00 177.57 176.71 3hsa n THR 60 N -4.12 0.32 -0.33 7.19 -2.24 -1.26 -5.34 114.28 108.50 3hsa n THR 60 Ca -0.03 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3hsa n THR 60 Cb 0.11 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 3hsa n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hsa n GLY 61 N 1.36 -2.45 3.01 3.38 0.00 -0.43 -5.19 105.19 104.87 3hsa n GLY 61 Ca 0.18 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 3hsa n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hsa s VAL 64 N -0.71 0.93 -0.16 1.61 1.01 -1.26 -4.93 120.40 116.88 3hsa s VAL 64 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 3hsa s VAL 64 Cb 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3hsa s VAL 64 CO 0.00 0.29 0.37 -0.55 0.00 0.00 0.00 175.10 175.22 3hsa s SER 65 N 0.37 6.51 -0.37 3.32 0.15 0.04 -4.97 113.70 118.75 3hsa s SER 65 Ca -0.07 0.60 -0.01 0.00 0.70 0.00 0.00 55.95 57.17 3hsa s SER 65 Cb -0.11 -2.22 0.09 0.00 -1.71 0.00 0.00 66.02 62.06 3hsa s SER 65 CO 0.01 0.03 0.13 -0.31 1.20 0.00 0.00 173.24 174.30 3hsa s TYR 66 N 0.72 3.54 -0.30 3.44 1.51 -1.26 -1.23 117.35 123.77 3hsa s TYR 66 Ca 0.20 -2.39 -0.03 0.00 -1.01 0.00 0.00 57.07 53.85 3hsa s TYR 66 Cb -0.14 -2.91 0.05 0.00 -0.11 0.00 0.00 41.96 38.85 3hsa s TYR 66 CO 0.07 -0.93 0.02 -1.58 -1.11 0.00 0.00 175.55 172.02 3hsa s HIS 67 N 1.13 3.25 -0.30 2.71 2.46 -0.10 -4.95 115.29 119.50 3hsa s HIS 67 Ca 0.05 -1.76 -0.19 0.00 0.47 0.00 0.00 55.06 53.63 3hsa s HIS 67 Cb -0.21 -2.14 -0.01 0.00 -0.13 0.00 0.00 32.58 30.09 3hsa s HIS 67 CO -0.04 -0.78 0.59 -1.12 -2.47 0.00 0.00 174.74 170.91 3hsa s SER 68 N 1.29 6.46 -0.39 9.88 0.01 -1.26 -0.08 113.70 129.60 3hsa s SER 68 Ca -0.04 0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.65 3hsa s SER 68 Cb -0.20 -2.31 0.11 0.00 0.21 0.00 0.00 66.02 63.84 3hsa s SER 68 CO -0.00 -0.43 0.13 -0.63 0.41 0.00 0.00 173.24 172.71 3hsa s ILE 69 N 2.50 2.09 0.51 1.44 1.01 0.70 -5.00 121.20 124.45 3hsa s ILE 69 Ca 0.23 -2.49 -0.21 0.00 0.00 0.00 0.00 60.65 58.18 3hsa s ILE 69 Cb -0.15 -2.52 -0.08 0.00 0.01 0.00 0.00 42.46 39.72 3hsa s ILE 69 CO 0.11 -0.69 0.96 -2.65 0.00 0.00 0.00 174.94 172.67 3hsa n PRO 70 N 3.98 1.12 -0.06 2.79 -0.02 -1.26 -1.48 135.00 140.07 3hsa n PRO 70 Ca 0.04 0.41 -0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3hsa n PRO 70 Cb 0.39 -2.08 -0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3hsa n PRO 70 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hsa n TYR 71 N -1.09 0.00 0.00 6.00 4.01 -1.26 -3.64 117.16 121.18 3hsa n TYR 71 Ca 0.11 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3hsa n TYR 71 Cb 0.43 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3hsa n TYR 71 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hsa n ALA 73 N 2.21 0.00 -2.56 -0.72 0.00 -1.26 -4.75 120.51 113.43 3hsa n ALA 73 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 3hsa n ALA 73 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 3hsa n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hsa s ILE 74 N 0.00 3.80 -0.08 0.00 1.01 -1.24 -0.43 121.20 124.26 3hsa s ILE 74 Ca 0.00 0.51 0.04 0.00 0.00 0.00 0.00 60.65 61.19 3hsa s ILE 74 Cb 0.00 -4.87 -0.25 0.00 0.01 0.00 0.00 42.46 37.36 3hsa s ILE 74 CO 0.00 -1.73 0.52 1.33 0.00 0.00 0.00 174.94 175.06 3hsa n VAL 75 N 6.44 1.69 -3.79 2.92 0.24 -0.50 -4.97 118.33 120.36 3hsa n VAL 75 Ca 0.04 -0.73 -0.09 0.00 -2.04 0.00 0.00 64.34 61.52 3hsa n VAL 75 Cb 0.49 -1.36 -0.03 0.00 -1.47 0.00 0.00 33.84 31.47 3hsa n VAL 75 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 3hsa s HIS 76 N -2.58 -0.13 0.13 6.34 -3.43 -1.22 -5.03 115.29 109.37 3hsa s HIS 76 Ca -0.13 -0.25 -0.17 0.00 -0.80 0.00 0.00 55.06 53.71 3hsa s HIS 76 Cb 0.07 0.51 0.04 0.00 -1.43 0.00 0.00 32.58 31.78 3hsa s HIS 76 CO 0.80 -1.05 0.43 -0.59 -2.00 0.00 0.00 174.74 172.33 3hsa s PHE 77 N -3.90 -0.26 -0.06 0.38 -0.71 -1.26 -1.04 117.98 111.13 3hsa s PHE 77 Ca 0.11 -0.04 -0.11 0.00 -1.04 0.00 0.00 56.93 55.85 3hsa s PHE 77 Cb -0.03 0.31 0.02 0.00 -1.21 0.00 0.00 43.02 42.11 3hsa s PHE 77 CO 0.02 -0.72 0.27 -1.14 -1.34 0.00 0.00 175.22 172.30 3hsa s GLN 78 N -3.78 0.45 -0.07 1.99 0.74 -1.26 -5.01 119.66 112.71 3hsa s GLN 78 Ca 0.03 0.10 0.04 0.00 0.05 0.00 0.00 55.36 55.57 3hsa s GLN 78 Cb 0.01 0.20 0.00 0.00 1.10 0.00 0.00 33.01 34.33 3hsa s GLN 78 CO -0.12 -0.09 -0.19 0.08 -0.55 0.00 0.00 175.29 174.42 3hsa s VAL 79 N -0.51 1.62 0.07 1.34 1.01 -1.26 -4.28 120.40 118.38 3hsa s VAL 79 Ca -0.06 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.17 3hsa s VAL 79 Cb -0.04 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3hsa s VAL 79 CO 0.02 0.46 -0.11 -0.70 0.00 0.00 0.00 175.10 174.77 3hsa s GLU 80 N 0.30 0.71 0.57 2.72 2.12 -0.29 -4.97 118.70 119.86 3hsa s GLU 80 Ca -0.12 -0.93 -0.18 0.00 0.36 0.00 0.00 54.97 54.10 3hsa s GLU 80 Cb -0.15 -0.54 -0.05 0.00 0.26 0.00 0.00 34.13 33.65 3hsa s GLU 80 CO 0.05 0.10 1.11 0.95 -0.54 0.00 0.00 175.26 176.93 3hsa s THR 81 N -1.62 3.33 0.33 -1.70 -4.23 -1.26 -0.04 115.64 110.45 3hsa s THR 81 Ca -0.03 0.75 -0.13 0.00 -1.18 0.00 0.00 61.69 61.10 3hsa s THR 81 Cb -0.08 -3.27 0.02 0.00 1.34 0.00 0.00 72.50 70.51 3hsa s THR 81 CO 0.01 -0.25 0.64 0.00 -0.54 0.00 0.00 174.62 174.48 3hsa s ALA 82 N -2.01 -0.39 0.06 3.99 0.00 0.43 -4.69 121.76 119.14 3hsa s ALA 82 Ca 0.70 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3hsa s ALA 82 Cb -0.21 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.80 3hsa s ALA 82 CO 0.31 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.55 3hsa n GLY 83 N -0.50 -1.89 3.72 0.00 0.00 -1.26 -0.69 105.19 104.57 3hsa n GLY 83 Ca -0.04 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 3hsa n GLY 83 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3hsa n THR 84 N -2.46 1.10 -1.70 2.61 5.66 -1.26 -1.82 114.28 116.40 3hsa n THR 84 Ca -0.00 -0.27 -0.21 0.00 -3.05 0.00 0.00 64.05 60.51 3hsa n THR 84 Cb 0.09 -1.77 -0.08 0.00 -1.55 0.00 0.00 70.33 67.01 3hsa n THR 84 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 3hsa n PHE 85 N 1.88 -0.12 -2.90 1.09 7.35 -1.26 -4.71 117.46 118.79 3hsa n PHE 85 Ca 0.09 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.77 3hsa n PHE 85 Cb 0.35 -3.55 0.00 0.00 0.35 0.00 0.00 39.48 36.63 3hsa n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3hsa n ASP 86 N -1.46 -7.50 0.00 -2.13 8.00 -0.76 -5.04 116.55 107.66 3hsa n ASP 86 Ca -0.21 1.04 0.00 0.00 0.71 0.00 0.00 54.79 56.33 3hsa n ASP 86 Cb 0.69 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.81 3hsa n ASP 86 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hsa n ASP 88 N 0.89 0.00 -4.22 -2.24 8.00 0.13 -4.41 116.55 114.70 3hsa n ASP 88 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 3hsa n ASP 88 Cb 0.19 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.19 3hsa n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hsa s ALA 89 N 0.00 1.34 -0.07 2.24 0.00 -0.15 -0.43 121.76 124.69 3hsa s ALA 89 Ca 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.62 3hsa s ALA 89 Cb 0.00 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.16 3hsa s ALA 89 CO 0.00 -0.05 -0.15 -2.00 0.00 0.00 0.00 175.76 173.56 3hsa s GLU 90 N -3.30 1.97 0.14 0.00 2.12 0.94 -0.03 118.70 120.55 3hsa s GLU 90 Ca 0.12 -0.51 0.02 0.00 0.36 0.00 0.00 54.97 54.96 3hsa s GLU 90 Cb -0.00 -1.59 0.02 0.00 0.26 0.00 0.00 34.13 32.82 3hsa s GLU 90 CO 0.01 0.05 0.17 -0.11 -0.54 0.00 0.00 175.26 174.84 3hsa n LEU 91 N 3.77 0.00 -3.15 2.70 7.94 -1.26 -1.13 117.00 125.86 3hsa n LEU 91 Ca -0.22 -0.65 0.05 0.00 -1.11 0.00 0.00 56.01 54.08 3hsa n LEU 91 Cb 0.52 -0.08 -0.02 0.00 0.53 0.00 0.00 43.42 44.37 3hsa n LEU 91 CO 0.26 -0.49 0.83 -0.76 -1.11 0.00 0.00 177.39 176.12 3hsa s LEU 93 N 0.00 -0.01 -0.10 -1.96 1.43 -0.49 -4.23 118.68 113.32 3hsa s LEU 93 Ca 0.13 0.01 -0.19 0.00 -1.03 0.00 0.00 54.13 53.05 3hsa s LEU 93 Cb -0.01 1.01 -0.04 0.00 0.03 0.00 0.00 46.19 47.18 3hsa s LEU 93 CO 0.08 -0.00 0.53 0.26 0.23 0.00 0.00 176.35 177.45 3hsa s TRP 94 N 2.75 3.54 0.05 0.29 0.51 -0.21 -0.81 118.94 125.06 3hsa s TRP 94 Ca -0.09 0.99 0.08 0.00 -2.12 0.00 0.00 56.10 54.97 3hsa s TRP 94 Cb -0.06 -2.61 -0.03 0.00 -0.81 0.00 0.00 33.47 29.96 3hsa s TRP 94 CO -0.09 0.17 -0.22 0.42 -0.51 0.00 0.00 176.95 176.72 3hsa s ILE 95 N 0.57 2.46 0.21 2.03 1.01 -1.26 -1.42 121.20 124.80 3hsa s ILE 95 Ca 0.29 -1.34 -0.32 0.00 0.00 0.00 0.00 60.65 59.28 3hsa s ILE 95 Cb -0.16 -2.01 -0.14 0.00 0.01 0.00 0.00 42.46 40.16 3hsa s ILE 95 CO 0.13 0.32 1.43 -0.24 0.00 0.00 0.00 174.94 176.58 3hsa n SER 96 N 1.56 2.69 0.00 3.58 2.88 0.42 -1.91 113.62 122.85 3hsa n SER 96 Ca -0.17 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 3hsa n SER 96 Cb 0.52 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 3hsa n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hsa n GLY 97 N 2.48 2.40 3.93 0.46 0.00 -1.26 -5.06 105.19 108.12 3hsa n GLY 97 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3hsa n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hsa s GLN 98 N -0.50 2.67 -0.19 1.61 -1.52 -0.80 -5.01 119.66 115.91 3hsa s GLN 98 Ca 0.00 -0.15 0.17 0.00 -1.95 0.00 0.00 55.36 53.43 3hsa s GLN 98 Cb 0.00 -2.26 -0.24 0.00 -0.22 0.00 0.00 33.01 30.28 3hsa s GLN 98 CO 0.00 -0.86 0.07 0.72 -0.25 0.00 0.00 175.29 174.97 3hsa n HIS 99 N -2.66 0.00 -4.07 0.91 8.25 -1.26 -4.94 115.22 111.45 3hsa n HIS 99 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 3hsa n HIS 99 Cb 0.59 -0.97 -0.11 0.00 1.12 0.00 0.00 29.99 30.62 3hsa n HIS 99 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3hsa s GLU 100 N -2.47 0.56 0.57 -0.41 2.02 -1.26 -5.11 118.70 112.59 3hsa s GLU 100 Ca -0.10 -0.85 -0.06 0.00 0.02 0.00 0.00 54.97 53.98 3hsa s GLU 100 Cb 0.06 -0.22 -0.01 0.00 0.10 0.00 0.00 34.13 34.06 3hsa s GLU 100 CO 0.80 0.02 0.89 -1.25 0.02 0.00 0.00 175.26 175.75 3hsa s PRO 101 N -1.99 3.13 0.08 0.39 0.04 -1.26 -4.77 135.00 130.61 3hsa s PRO 101 Ca -0.07 0.13 -0.30 0.00 0.04 0.00 0.00 61.00 60.81 3hsa s PRO 101 Cb -0.07 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 3hsa s PRO 101 CO -0.01 -0.58 1.04 -1.17 0.04 0.00 0.00 177.00 176.32 3hsa s LEU 102 N -4.96 4.43 0.37 -3.56 2.96 0.00 -4.89 118.68 113.04 3hsa s LEU 102 Ca 0.53 1.85 0.08 0.00 -0.22 0.00 0.00 54.13 56.36 3hsa s LEU 102 Cb -0.11 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 3hsa s LEU 102 CO 0.46 -0.23 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.53 3hsa s VAL 103 N 0.47 2.06 -0.03 1.68 1.01 -1.26 -1.39 120.40 122.94 3hsa s VAL 103 Ca 0.51 -2.10 0.00 0.00 0.00 0.00 0.00 61.98 60.40 3hsa s VAL 103 Cb -0.25 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.34 3hsa s VAL 103 CO 0.30 -0.10 -0.00 -1.61 0.00 0.00 0.00 175.10 173.69 3hsa s GLU 105 N -3.67 0.35 0.47 2.72 2.02 -1.26 -5.00 118.70 114.34 3hsa s GLU 105 Ca 0.34 0.07 0.06 0.00 0.02 0.00 0.00 54.97 55.45 3hsa s GLU 105 Cb 0.06 -0.54 -0.02 0.00 0.10 0.00 0.00 34.13 33.74 3hsa s GLU 105 CO 0.17 -0.14 0.22 -0.51 0.02 0.00 0.00 175.26 175.01 3hsa s LEU 106 N 1.09 2.83 -0.03 1.80 1.43 0.96 -4.94 118.68 121.82 3hsa s LEU 106 Ca -0.09 -1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 51.63 3hsa s LEU 106 Cb -0.14 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 3hsa s LEU 106 CO -0.02 -0.78 0.39 -0.60 0.23 0.00 0.00 176.35 175.57 3hsa s ARG 108 N -4.02 3.95 0.00 1.70 3.52 -1.26 -0.98 118.95 121.87 3hsa s ARG 108 Ca 0.32 0.35 0.00 0.00 -0.13 0.00 0.00 55.73 56.27 3hsa s ARG 108 Cb 0.02 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 3hsa s ARG 108 CO 0.18 0.61 0.00 0.41 -0.81 0.00 0.00 175.30 175.69 3hsa n GLY 109 N 2.09 3.03 3.80 8.12 0.00 -1.26 -5.07 105.19 115.89 3hsa n GLY 109 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 3hsa n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hsa s THR 110 N -2.76 3.71 -1.34 2.61 2.01 -1.26 -4.93 115.64 113.68 3hsa s THR 110 Ca 0.00 0.96 -0.12 0.00 0.31 0.00 0.00 61.69 62.83 3hsa s THR 110 Cb 0.00 -3.40 0.11 0.00 0.01 0.00 0.00 72.50 69.22 3hsa s THR 110 CO 0.00 -0.34 1.94 -0.67 -0.69 0.00 0.00 174.62 174.86 3hsa n ASP 111 N -1.45 4.65 -0.21 3.53 2.03 -1.26 -4.73 116.55 119.11 3hsa n ASP 111 Ca 0.09 -2.98 -0.06 0.00 0.52 0.00 0.00 54.79 52.36 3hsa n ASP 111 Cb 0.52 -1.58 0.04 0.00 -0.72 0.00 0.00 41.12 39.38 3hsa n ASP 111 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3hsa h VAL 112 N 4.14 1.16 -0.31 5.18 2.07 -1.94 -0.28 116.25 126.27 3hsa h VAL 112 Ca 0.46 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 67.52 3hsa h VAL 112 Cb 0.69 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3hsa h VAL 112 CO 1.66 0.16 -0.38 0.58 0.02 0.00 0.00 177.57 179.61 3hsa h VAL 113 N 0.81 1.29 -0.03 2.57 2.07 -2.00 -2.65 116.25 118.31 3hsa h VAL 113 Ca 0.22 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 3hsa h VAL 113 Cb -0.07 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3hsa h VAL 113 CO -0.05 0.51 0.02 1.23 0.02 0.00 0.00 177.57 179.30 3hsa h GLY 114 N 0.58 0.05 0.42 2.17 0.00 -1.89 -2.93 103.07 101.46 3hsa h GLY 114 Ca 0.04 -0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.44 3hsa h GLY 114 CO 0.09 0.02 0.29 -2.22 0.00 0.00 0.00 176.54 174.72 3hsa h ILE 115 N -0.06 0.80 0.00 2.60 2.04 -1.10 -0.27 117.51 121.53 3hsa h ILE 115 Ca 0.01 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3hsa h ILE 115 Cb 0.10 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3hsa h ILE 115 CO -0.00 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.24 3hsa n GLN 116 N -4.93 0.08 0.00 2.37 6.02 -1.00 -1.12 117.38 118.80 3hsa n GLN 116 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3hsa n GLN 116 Cb 0.28 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.42 3hsa n GLN 116 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3hsa n THR 118 N 0.56 0.00 -0.26 5.09 -1.04 -0.11 -1.72 114.28 116.80 3hsa n THR 118 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 3hsa n THR 118 Cb 0.02 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 68.65 3hsa n THR 118 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3hsa h ILE 119 N 0.00 1.00 -0.86 12.58 2.04 -1.37 -2.07 117.51 128.83 3hsa h ILE 119 Ca 0.00 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.63 3hsa h ILE 119 Cb 0.00 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.15 3hsa h ILE 119 CO 0.00 0.15 0.55 0.00 0.00 0.00 0.00 178.15 178.85 3hsa h ALA 120 N 1.37 1.15 -0.22 1.87 0.00 -1.59 0.16 119.26 122.00 3hsa h ALA 120 Ca 0.33 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 3hsa h ALA 120 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hsa h ALA 120 CO -0.18 0.37 -0.32 0.00 0.00 0.00 0.00 179.25 179.12 3hsa h ARG 121 N 1.05 0.45 0.03 0.00 3.08 -1.69 -2.78 114.38 114.52 3hsa h ARG 121 Ca 0.35 -0.19 -0.31 0.00 0.07 0.00 0.00 59.98 59.91 3hsa h ARG 121 Cb 0.05 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3hsa h ARG 121 CO -0.13 0.72 -1.76 1.88 -1.07 0.00 0.00 179.97 179.61 3hsa h TYR 122 N 0.39 0.12 -0.02 3.04 0.05 -0.97 -3.40 116.97 116.17 3hsa h TYR 122 Ca 0.05 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.74 3hsa h TYR 122 Cb 0.75 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.49 3hsa h TYR 122 CO 0.02 1.18 -0.09 0.00 -1.05 0.00 0.00 178.16 178.22 3hsa n ALA 123 N -2.65 2.69 -0.10 3.88 0.00 0.51 -4.55 120.51 120.30 3hsa n ALA 123 Ca -0.20 -0.64 -0.14 0.00 0.00 0.00 0.00 53.44 52.47 3hsa n ALA 123 Cb 1.05 -0.87 -0.10 0.00 0.00 0.00 0.00 19.45 19.53 3hsa n ALA 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hsa n LEU 124 N 0.87 2.78 -0.88 0.00 4.77 -1.05 -5.01 117.00 118.48 3hsa n LEU 124 Ca 0.14 -0.10 0.11 0.00 -0.03 0.00 0.00 56.01 56.13 3hsa n LEU 124 Cb 0.53 -0.63 0.09 0.00 -2.33 0.00 0.00 43.42 41.08 3hsa n LEU 124 CO 0.18 0.81 0.60 0.61 -1.33 0.00 0.00 177.39 178.26