#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4r s GLU 2 N 0.00 4.30 -0.94 2.12 0.41 -1.15 -4.95 118.70 118.50 1s4r s GLU 2 Ca 0.00 2.22 -0.18 0.00 -0.41 0.00 0.00 54.97 56.60 1s4r s GLU 2 Cb 0.00 -3.15 0.14 0.00 -1.78 0.00 0.00 34.13 29.34 1s4r s GLU 2 CO 0.00 -0.40 1.12 -3.38 -0.49 0.00 0.00 175.26 172.11 1s4r s HIS 3 N 0.27 3.19 -0.07 1.61 -3.43 -1.26 -4.66 115.29 110.94 1s4r s HIS 3 Ca 0.60 -1.47 -0.03 0.00 -0.80 0.00 0.00 55.06 53.36 1s4r s HIS 3 Cb -0.40 -4.25 0.04 0.00 -1.43 0.00 0.00 32.58 26.54 1s4r s HIS 3 CO 0.39 -1.45 0.13 0.08 -2.00 0.00 0.00 174.74 171.89 1s4r s VAL 4 N 2.45 -0.16 0.11 -5.38 1.01 -1.26 -5.15 120.40 112.02 1s4r s VAL 4 Ca 0.32 0.31 -0.25 0.00 0.00 0.00 0.00 61.98 62.36 1s4r s VAL 4 Cb -0.05 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 36.02 1s4r s VAL 4 CO -0.09 0.13 0.78 0.00 0.00 0.00 0.00 175.10 175.91 1s4r s ALA 5 N 1.85 3.41 0.26 5.51 0.00 -1.26 -4.74 121.76 126.79 1s4r s ALA 5 Ca -0.01 0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.98 1s4r s ALA 5 Cb -0.12 -2.98 -0.13 0.00 0.00 0.00 0.00 23.12 19.89 1s4r s ALA 5 CO -0.05 0.19 1.48 0.34 0.00 0.00 0.00 175.76 177.72 1s4r n PHE 6 N 2.12 2.45 -0.85 0.00 -0.00 -1.26 -1.44 117.46 118.47 1s4r n PHE 6 Ca -0.04 0.36 0.00 0.00 -0.00 0.00 0.00 57.45 57.77 1s4r n PHE 6 Cb 0.49 -2.52 0.00 0.00 -0.00 0.00 0.00 39.48 37.46 1s4r n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1s4r n GLY 7 N 2.14 0.78 3.71 7.13 0.00 -1.26 -5.00 105.19 112.69 1s4r n GLY 7 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1s4r n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s4r n SER 8 N 0.00 3.70 -0.27 1.61 7.64 -0.52 -4.89 113.62 120.89 1s4r n SER 8 Ca 0.00 1.09 0.16 0.00 1.01 0.00 0.00 58.87 61.13 1s4r n SER 8 Cb 0.00 -1.54 0.45 0.00 -1.01 0.00 0.00 64.21 62.11 1s4r n SER 8 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1s4r h GLU 9 N 5.98 0.52 -0.49 1.43 4.11 -1.94 -1.80 114.58 122.39 1s4r h GLU 9 Ca -0.44 -0.03 -0.25 0.00 0.07 0.00 0.00 59.36 58.70 1s4r h GLU 9 Cb 1.22 -0.12 -0.15 0.00 0.50 0.00 0.00 28.75 30.20 1s4r h GLU 9 CO 0.89 0.35 0.07 -0.40 0.07 0.00 0.00 179.01 179.99 1s4r n ASP 10 N -4.57 2.71 -0.12 3.06 5.75 -1.26 -4.74 116.55 117.38 1s4r n ASP 10 Ca 0.20 -3.76 0.13 0.00 -0.01 0.00 0.00 54.79 51.34 1s4r n ASP 10 Cb 0.62 -0.68 0.49 0.00 -1.03 0.00 0.00 41.12 40.52 1s4r n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1s4r h ILE 11 N 1.00 0.87 -0.11 2.12 2.10 -1.70 -2.02 117.51 119.77 1s4r h ILE 11 Ca 0.31 -0.15 -0.07 0.00 1.08 0.00 0.00 64.86 66.02 1s4r h ILE 11 Cb 1.92 0.38 -0.01 0.00 -1.09 0.00 0.00 36.82 38.02 1s4r h ILE 11 CO 0.54 0.08 -0.27 1.05 -1.08 0.00 0.00 178.15 178.47 1s4r h GLU 12 N 0.45 0.20 -0.15 2.19 9.09 -1.85 -1.50 114.58 123.00 1s4r h GLU 12 Ca 0.32 -0.07 -0.11 0.00 0.05 0.00 0.00 59.36 59.56 1s4r h GLU 12 Cb 0.63 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.72 1s4r h GLU 12 CO -0.10 0.46 -0.32 -0.91 0.05 0.00 0.00 179.01 178.20 1s4r h ASN 13 N 0.18 0.54 -0.39 3.06 4.21 -1.76 -2.82 115.58 118.59 1s4r h ASN 13 Ca 0.03 -0.56 -0.00 0.00 1.21 0.00 0.00 56.30 56.97 1s4r h ASN 13 Cb 0.58 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 1s4r h ASN 13 CO 0.04 1.00 0.23 0.74 -1.29 0.00 0.00 177.43 178.15 1s4r h THR 14 N 0.09 1.13 0.00 2.81 2.02 -1.30 -2.77 112.91 114.89 1s4r h THR 14 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1s4r h THR 14 Cb 0.92 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1s4r h THR 14 CO 0.07 0.13 0.00 0.18 0.37 0.00 0.00 175.52 176.28 1s4r n LEU 15 N -4.77 0.32 0.29 2.58 4.77 -0.58 -3.16 117.00 116.45 1s4r n LEU 15 Ca 0.00 0.55 0.19 0.00 -0.03 0.00 0.00 56.01 56.72 1s4r n LEU 15 Cb 0.06 -0.47 0.83 0.00 -2.33 0.00 0.00 43.42 41.51 1s4r n LEU 15 CO 0.35 -0.22 1.04 0.00 -1.33 0.00 0.00 177.39 177.24 1s4r h ALA 16 N 2.61 1.01 0.00 -1.18 0.00 -1.22 -2.59 119.26 117.90 1s4r h ALA 16 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s4r h ALA 16 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1s4r h ALA 16 CO 0.00 0.01 -0.79 0.36 0.00 0.00 0.00 179.25 178.83 1s4r n LYS 17 N -3.12 0.22 -3.02 0.00 2.85 -1.19 -4.94 118.16 108.96 1s4r n LYS 17 Ca -0.00 0.02 -0.40 0.00 -1.05 0.00 0.00 58.31 56.88 1s4r n LYS 17 Cb 0.24 -1.60 -0.05 0.00 -0.65 0.00 0.00 35.03 32.97 1s4r n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1s4r s MET 18 N -3.14 4.48 0.67 -1.58 -1.94 -0.98 -5.08 119.30 111.73 1s4r s MET 18 Ca 0.06 1.05 -0.02 0.00 -1.71 0.00 0.00 55.69 55.07 1s4r s MET 18 Cb 0.15 -3.32 0.09 0.00 2.01 0.00 0.00 34.83 33.75 1s4r s MET 18 CO 0.76 0.40 0.93 0.16 -0.01 0.00 0.00 175.02 177.26 1s4r s ASP 19 N -0.47 4.70 0.49 3.03 -4.77 -1.26 -4.86 116.67 113.52 1s4r s ASP 19 Ca 0.36 -0.09 0.22 0.00 -3.30 0.00 0.00 52.55 49.75 1s4r s ASP 19 Cb -0.21 -0.50 1.27 0.00 -1.09 0.00 0.00 42.92 42.40 1s4r s ASP 19 CO 0.23 -1.60 1.95 -2.24 0.70 0.00 0.00 175.17 174.21 1s4r h ASP 20 N -0.37 0.15 -0.28 2.11 2.03 -1.99 -1.87 116.42 116.19 1s4r h ASP 20 Ca -0.40 0.01 -0.15 0.00 -0.73 0.00 0.00 57.03 55.76 1s4r h ASP 20 Cb 1.28 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1s4r h ASP 20 CO 0.47 0.08 -0.42 1.23 -1.03 0.00 0.00 179.24 179.58 1s4r h GLY 21 N 0.16 0.85 2.00 7.15 0.00 -2.01 -2.99 103.07 108.23 1s4r h GLY 21 Ca 0.32 -0.94 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 1s4r h GLY 21 CO -0.05 0.85 -0.54 1.46 0.00 0.00 0.00 176.54 178.26 1s4r h GLN 22 N 0.53 0.00 -0.01 4.80 4.20 -1.77 -2.87 115.11 119.99 1s4r h GLN 22 Ca 0.03 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1s4r h GLN 22 Cb 1.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1s4r h GLN 22 CO 0.10 0.54 -0.19 1.25 -0.67 0.00 0.00 178.83 179.85 1s4r h LEU 23 N 0.00 0.02 -0.48 1.46 5.85 -1.32 -0.22 115.31 120.61 1s4r h LEU 23 Ca -0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1s4r h LEU 23 Cb 1.15 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1s4r h LEU 23 CO 0.07 0.21 0.00 0.47 -0.34 0.00 0.00 178.44 178.85 1s4r n ASP 24 N -4.30 0.51 -0.29 1.25 8.00 -1.08 -2.64 116.55 117.99 1s4r n ASP 24 Ca -0.02 0.62 0.14 0.00 0.71 0.00 0.00 54.79 56.24 1s4r n ASP 24 Cb 0.26 -0.73 0.55 0.00 -0.02 0.00 0.00 41.12 41.18 1s4r n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s4r n GLY 25 N 0.10 -0.46 3.77 0.44 0.00 -0.09 -4.59 105.19 104.36 1s4r n GLY 25 Ca 0.03 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1s4r n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4r s LEU 26 N -2.22 3.20 0.00 0.99 1.43 -1.08 -2.94 118.68 118.05 1s4r s LEU 26 Ca 0.34 1.91 0.29 0.00 -1.03 0.00 0.00 54.13 55.64 1s4r s LEU 26 Cb 0.20 -4.54 1.26 0.00 0.03 0.00 0.00 46.19 43.15 1s4r s LEU 26 CO 0.41 -1.86 1.86 0.00 0.23 0.00 0.00 176.35 176.99 1s4r n ALA 27 N -3.02 2.63 -2.18 4.21 0.00 -1.26 -4.78 120.51 116.11 1s4r n ALA 27 Ca 0.10 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.05 1s4r n ALA 27 Cb 0.52 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.62 1s4r n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1s4r s PHE 28 N -2.05 0.99 0.45 0.00 -0.12 -1.26 -5.03 117.98 110.95 1s4r s PHE 28 Ca 0.39 -1.18 -0.23 0.00 -0.05 0.00 0.00 56.93 55.86 1s4r s PHE 28 Cb 0.21 -0.55 -0.08 0.00 -0.63 0.00 0.00 43.02 41.97 1s4r s PHE 28 CO 0.36 -0.44 1.11 0.20 -0.05 0.00 0.00 175.22 176.40 1s4r s GLY 29 N -3.09 2.73 -0.08 1.99 0.00 0.38 -4.63 107.32 104.62 1s4r s GLY 29 Ca 0.25 0.82 -0.04 0.00 0.00 0.00 0.00 44.72 45.76 1s4r s GLY 29 CO 0.03 1.25 0.18 0.00 0.00 0.00 0.00 173.10 174.56 1s4r s ALA 30 N -1.63 -0.31 -0.04 3.20 0.00 -1.26 -1.33 121.76 120.38 1s4r s ALA 30 Ca 0.63 0.73 0.03 0.00 0.00 0.00 0.00 51.96 53.34 1s4r s ALA 30 Cb -0.25 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.27 1s4r s ALA 30 CO 0.31 -0.29 -0.12 0.42 0.00 0.00 0.00 175.76 176.08 1s4r s ILE 31 N 1.53 1.02 -0.15 0.00 1.01 -0.29 -1.78 121.20 122.54 1s4r s ILE 31 Ca -0.06 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 1s4r s ILE 31 Cb -0.11 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 1s4r s ILE 31 CO -0.07 0.32 -0.09 -1.58 0.00 0.00 0.00 174.94 173.52 1s4r s GLN 32 N 0.37 3.48 0.25 2.79 0.74 -0.75 -0.96 119.66 125.56 1s4r s GLN 32 Ca -0.08 -0.62 0.12 0.00 0.05 0.00 0.00 55.36 54.83 1s4r s GLN 32 Cb -0.12 -2.78 -0.05 0.00 1.10 0.00 0.00 33.01 31.16 1s4r s GLN 32 CO 0.02 0.16 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.21 1s4r s LEU 33 N 0.52 2.58 0.00 3.68 1.02 0.42 0.08 118.68 126.98 1s4r s LEU 33 Ca -0.06 -0.94 0.05 0.00 0.02 0.00 0.00 54.13 53.20 1s4r s LEU 33 Cb -0.15 -1.18 0.11 0.00 0.02 0.00 0.00 46.19 44.99 1s4r s LEU 33 CO 0.03 0.07 0.82 -0.90 0.02 0.00 0.00 176.35 176.39 1s4r n ASP 34 N -0.31 1.63 0.26 2.29 5.68 -0.74 -0.43 116.55 124.92 1s4r n ASP 34 Ca -0.08 -2.25 0.18 0.00 -0.50 0.00 0.00 54.79 52.14 1s4r n ASP 34 Cb 0.58 -0.48 0.91 0.00 -1.14 0.00 0.00 41.12 40.99 1s4r n ASP 34 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1s4r h GLY 35 N -0.20 0.00 -1.56 6.12 0.00 -1.89 -1.87 103.07 103.67 1s4r h GLY 35 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1s4r h GLY 35 CO 0.34 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.10 1s4r n ASP 36 N -3.49 2.60 0.00 0.19 8.00 -1.26 -4.94 116.55 117.65 1s4r n ASP 36 Ca -0.00 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.65 1s4r n ASP 36 Cb 0.28 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1s4r n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s4r n GLY 37 N 1.32 0.80 3.75 0.44 0.00 -0.70 -4.92 105.19 105.88 1s4r n GLY 37 Ca 0.17 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1s4r n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s4r s ASN 38 N -2.07 7.50 -0.18 1.61 0.01 -1.26 -0.59 114.94 119.96 1s4r s ASN 38 Ca 0.00 1.77 -0.29 0.00 -0.71 0.00 0.00 52.86 53.63 1s4r s ASN 38 Cb 0.00 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1s4r s ASN 38 CO 0.00 0.11 1.04 -0.63 -1.51 0.00 0.00 177.10 176.11 1s4r s ILE 39 N -0.80 4.69 -0.21 0.60 1.01 -0.51 -1.79 121.20 124.20 1s4r s ILE 39 Ca 0.40 2.01 0.11 0.00 0.00 0.00 0.00 60.65 63.18 1s4r s ILE 39 Cb -0.24 -4.30 -0.21 0.00 0.01 0.00 0.00 42.46 37.73 1s4r s ILE 39 CO 0.29 -0.11 -0.04 0.18 0.00 0.00 0.00 174.94 175.26 1s4r n LEU 40 N 5.86 1.09 -3.96 2.97 4.77 0.11 -0.44 117.00 127.40 1s4r n LEU 40 Ca 0.11 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1s4r n LEU 40 Cb 0.47 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1s4r n LEU 40 CO 0.52 0.63 -0.26 -1.10 -1.33 0.00 0.00 177.39 175.85 1s4r s GLN 41 N -2.47 0.54 -0.30 3.23 -0.21 -1.16 -4.91 119.66 114.39 1s4r s GLN 41 Ca -0.18 -0.79 -0.02 0.00 0.02 0.00 0.00 55.36 54.39 1s4r s GLN 41 Cb 0.07 0.21 0.19 0.00 1.00 0.00 0.00 33.01 34.47 1s4r s GLN 41 CO 0.70 -0.12 0.72 -0.47 -2.12 0.00 0.00 175.29 174.00 1s4r s TYR 42 N -2.58 -1.38 0.93 0.91 6.14 -1.26 -1.82 117.35 118.29 1s4r s TYR 42 Ca -0.05 1.14 -0.14 0.00 0.64 0.00 0.00 57.07 58.66 1s4r s TYR 42 Cb -0.01 0.36 0.16 0.00 0.42 0.00 0.00 41.96 42.88 1s4r s TYR 42 CO -0.05 -0.78 1.20 0.54 0.64 0.00 0.00 175.55 177.10 1s4r s ASN 43 N 2.88 3.37 0.26 4.32 4.22 -0.74 -4.73 114.94 124.52 1s4r s ASN 43 Ca 0.15 0.67 -0.03 0.00 -2.14 0.00 0.00 52.86 51.51 1s4r s ASN 43 Cb -0.11 -1.03 0.33 0.00 1.28 0.00 0.00 41.25 41.72 1s4r s ASN 43 CO -0.21 -2.61 1.80 0.00 -2.04 0.00 0.00 177.10 174.03 1s4r h ALA 44 N -1.55 1.15 -0.91 3.54 0.00 -1.84 -2.58 119.26 117.07 1s4r h ALA 44 Ca -0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1s4r h ALA 44 Cb 1.30 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1s4r h ALA 44 CO 0.53 0.57 0.54 0.00 0.00 0.00 0.00 179.25 180.89 1s4r h ALA 45 N 1.28 1.24 -0.55 0.00 0.00 -1.82 -1.03 119.26 118.38 1s4r h ALA 45 Ca 0.19 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1s4r h ALA 45 Cb 0.32 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1s4r h ALA 45 CO 0.00 0.65 0.04 1.49 0.00 0.00 0.00 179.25 181.43 1s4r h GLU 46 N 1.26 0.94 -0.18 0.00 4.57 -1.77 -2.16 114.58 117.24 1s4r h GLU 46 Ca 0.33 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1s4r h GLU 46 Cb -0.04 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1s4r h GLU 46 CO -0.06 0.93 0.03 0.78 -1.18 0.00 0.00 179.01 179.51 1s4r h GLY 47 N 0.83 0.27 1.63 1.92 0.00 -0.97 0.18 103.07 106.93 1s4r h GLY 47 Ca 0.16 -0.13 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 1s4r h GLY 47 CO 0.02 0.12 -0.53 -0.55 0.00 0.00 0.00 176.54 175.60 1s4r h ASP 48 N 0.25 0.43 0.07 0.19 3.32 -0.71 0.40 116.42 120.38 1s4r h ASP 48 Ca 0.06 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 1s4r h ASP 48 Cb 0.13 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.57 1s4r h ASP 48 CO -0.00 0.88 -0.50 0.40 -1.72 0.00 0.00 179.24 178.30 1s4r h ILE 49 N 0.30 1.59 0.00 0.35 2.04 -0.70 -3.36 117.51 117.72 1s4r h ILE 49 Ca 0.01 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.50 1s4r h ILE 49 Cb 1.04 3.14 0.00 0.00 -0.74 0.00 0.00 36.82 40.26 1s4r h ILE 49 CO 0.09 0.65 -0.82 0.71 0.00 0.00 0.00 178.15 178.79 1s4r h THR 50 N -0.53 0.00 0.00 -0.27 1.35 -0.74 -3.48 112.91 109.24 1s4r h THR 50 Ca -0.08 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1s4r h THR 50 Cb 1.36 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1s4r h THR 50 CO 0.10 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1s4r n GLY 51 N 1.24 0.78 3.85 5.82 0.00 0.14 -4.97 105.19 112.05 1s4r n GLY 51 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1s4r n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4r s ARG 52 N -0.02 3.96 -0.42 1.61 1.81 -1.19 -5.00 118.95 119.70 1s4r s ARG 52 Ca 0.00 0.84 -0.21 0.00 -1.72 0.00 0.00 55.73 54.64 1s4r s ARG 52 Cb 0.00 -2.24 0.02 0.00 -0.45 0.00 0.00 34.95 32.28 1s4r s ARG 52 CO 0.00 -0.13 0.63 0.34 -0.68 0.00 0.00 175.30 175.47 1s4r s ASP 53 N -2.85 6.33 0.14 0.23 -1.08 -1.26 -4.42 116.67 113.76 1s4r s ASP 53 Ca 0.57 -0.27 -0.26 0.00 -0.52 0.00 0.00 52.55 52.06 1s4r s ASP 53 Cb -0.10 -2.32 -0.06 0.00 -1.46 0.00 0.00 42.92 38.99 1s4r s ASP 53 CO 0.27 -0.74 1.39 -2.65 0.52 0.00 0.00 175.17 173.95 1s4r n PRO 54 N 6.20 -0.37 0.32 4.34 -0.02 -1.26 -0.36 135.00 143.84 1s4r n PRO 54 Ca -0.02 1.36 0.20 0.00 -2.02 0.00 0.00 63.50 63.03 1s4r n PRO 54 Cb 0.48 -2.00 1.08 0.00 -0.02 0.00 0.00 33.50 33.04 1s4r n PRO 54 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1s4r h LYS 55 N 0.00 0.00 0.00 -0.52 1.79 -1.94 -2.25 116.57 113.65 1s4r h LYS 55 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1s4r h LYS 55 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1s4r h LYS 55 CO -0.80 0.00 -0.72 1.96 -1.08 0.00 0.00 179.45 178.81 1s4r h GLN 56 N 0.00 0.00 0.00 3.15 4.20 -1.11 -3.36 115.11 117.98 1s4r h GLN 56 Ca 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1s4r h GLN 56 Cb 0.12 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1s4r h GLN 56 CO 0.00 0.00 -2.02 1.33 -0.67 0.00 0.00 178.83 177.47 1s4r n VAL 57 N -2.14 0.61 -1.69 -0.54 0.24 -0.85 -4.88 118.33 109.08 1s4r n VAL 57 Ca 0.03 -0.64 -0.44 0.00 -2.04 0.00 0.00 64.34 61.25 1s4r n VAL 57 Cb 0.45 -0.24 -0.04 0.00 -1.47 0.00 0.00 33.84 32.54 1s4r n VAL 57 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1s4r n ILE 58 N -2.51 0.06 0.00 1.34 5.41 -1.17 -0.80 119.36 121.68 1s4r n ILE 58 Ca -0.14 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1s4r n ILE 58 Cb 0.79 -1.80 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 1s4r n ILE 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s4r n GLY 59 N 3.77 2.99 3.86 7.39 0.00 0.41 -4.99 105.19 118.61 1s4r n GLY 59 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1s4r n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4r s LYS 60 N -0.90 3.91 -0.20 1.61 -0.14 0.02 -4.71 119.74 119.34 1s4r s LYS 60 Ca 0.00 0.58 -0.27 0.00 -1.36 0.00 0.00 55.97 54.92 1s4r s LYS 60 Cb 0.00 -2.42 -0.00 0.00 -1.68 0.00 0.00 37.83 33.72 1s4r s LYS 60 CO 0.00 0.09 0.94 1.21 -0.76 0.00 0.00 175.35 176.84 1s4r s ASN 61 N -2.60 7.04 0.25 2.83 3.84 -1.26 -1.43 114.94 123.61 1s4r s ASN 61 Ca 0.53 1.29 -0.05 0.00 0.21 0.00 0.00 52.86 54.84 1s4r s ASN 61 Cb -0.10 -2.50 0.31 0.00 -0.55 0.00 0.00 41.25 38.41 1s4r s ASN 61 CO 0.23 -0.54 1.89 0.15 -2.79 0.00 0.00 177.10 176.04 1s4r h PHE 62 N 7.41 1.14 0.00 0.43 3.57 -1.19 0.12 116.94 128.42 1s4r h PHE 62 Ca -0.24 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.08 1s4r h PHE 62 Cb 1.10 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1s4r h PHE 62 CO 0.74 0.65 -1.29 0.74 -2.23 0.00 0.00 178.31 176.91 1s4r h PHE 63 N 1.17 0.00 0.04 0.41 0.04 -1.82 0.89 116.94 117.67 1s4r h PHE 63 Ca 0.38 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.79 1s4r h PHE 63 Cb 0.03 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 1s4r h PHE 63 CO -0.01 0.80 -2.02 1.17 -0.60 0.00 0.00 178.31 177.66 1s4r n LYS 64 N -3.09 0.64 -0.14 1.51 4.81 -1.21 -4.03 118.16 116.66 1s4r n LYS 64 Ca -0.08 0.33 -0.28 0.00 -0.87 0.00 0.00 58.31 57.40 1s4r n LYS 64 Cb 0.92 -1.63 -0.09 0.00 0.02 0.00 0.00 35.03 34.24 1s4r n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1s4r n ASP 65 N -3.88 1.96 -0.06 3.14 8.00 -0.04 -4.72 116.55 120.95 1s4r n ASP 65 Ca -0.40 0.34 -0.04 0.00 0.71 0.00 0.00 54.79 55.40 1s4r n ASP 65 Cb 0.90 -0.82 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1s4r n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1s4r h VAL 66 N -1.00 0.38 -2.29 2.53 2.07 -1.41 -3.42 116.25 113.11 1s4r h VAL 66 Ca -0.65 -1.30 -0.63 0.00 0.82 0.00 0.00 66.70 64.94 1s4r h VAL 66 Cb 1.57 0.73 -0.40 0.00 -1.52 0.00 0.00 31.29 31.67 1s4r h VAL 66 CO -0.39 0.13 -0.40 0.00 0.02 0.00 0.00 177.57 176.92 1s4r n ALA 67 N -2.84 4.43 0.27 1.67 0.00 0.31 -4.89 120.51 119.45 1s4r n ALA 67 Ca -0.03 -4.76 0.17 0.00 0.00 0.00 0.00 53.44 48.82 1s4r n ALA 67 Cb 0.14 -1.05 0.93 0.00 0.00 0.00 0.00 19.45 19.46 1s4r n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1s4r h PRO 68 N 3.99 0.00 0.00 0.00 0.13 -1.73 0.15 132.00 134.54 1s4r h PRO 68 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1s4r h PRO 68 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1s4r h PRO 68 CO 0.90 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.67 1s4r n THR 70 N -2.09 0.00 -2.51 0.00 -2.24 0.54 -4.63 114.28 103.35 1s4r n THR 70 Ca 0.01 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.29 1s4r n THR 70 Cb 0.15 0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 68.88 1s4r n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s4r s ASP 71 N -2.70 6.58 0.22 3.42 -1.08 -0.35 -1.81 116.67 120.94 1s4r s ASP 71 Ca 0.18 -2.23 -0.20 0.00 -0.52 0.00 0.00 52.55 49.78 1s4r s ASP 71 Cb 0.18 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 39.10 1s4r s ASP 71 CO 0.62 -1.44 0.62 -0.94 0.52 0.00 0.00 175.17 174.54 1s4r s SER 72 N 4.62 -0.35 0.55 -0.34 1.04 -1.26 -4.96 113.70 112.99 1s4r s SER 72 Ca 0.55 -0.39 0.23 0.00 0.48 0.00 0.00 55.95 56.83 1s4r s SER 72 Cb 0.03 0.64 1.55 0.00 0.10 0.00 0.00 66.02 68.34 1s4r s SER 72 CO 0.06 -1.14 2.20 -0.65 0.98 0.00 0.00 173.24 174.70 1s4r h PRO 73 N 2.06 0.00 0.00 4.02 0.11 -1.94 -1.05 132.00 135.20 1s4r h PRO 73 Ca -0.27 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 1s4r h PRO 73 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1s4r h PRO 73 CO 0.32 0.01 -0.31 0.93 -0.21 0.00 0.00 178.00 178.74 1s4r h GLU 74 N 0.00 0.00 0.00 1.05 4.39 -1.96 -3.23 114.58 114.83 1s4r h GLU 74 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s4r h GLU 74 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1s4r h GLU 74 CO 0.00 0.31 0.00 0.34 -1.16 0.00 0.00 179.01 178.50 1s4r n PHE 75 N -3.37 0.00 -0.27 4.33 -0.00 -0.99 -4.62 117.46 112.53 1s4r n PHE 75 Ca 0.01 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 57.64 1s4r n PHE 75 Cb 0.52 0.00 0.48 0.00 -0.00 0.00 0.00 39.48 40.48 1s4r n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1s4r h TYR 76 N 0.00 0.63 -0.65 -5.13 3.20 -0.56 -0.90 116.97 113.56 1s4r h TYR 76 Ca 0.00 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1s4r h TYR 76 Cb 0.00 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1s4r h TYR 76 CO 0.00 0.15 0.12 0.78 -1.64 0.00 0.00 178.16 177.57 1s4r h GLY 77 N 0.46 1.14 2.00 1.82 0.00 -1.25 0.28 103.07 107.53 1s4r h GLY 77 Ca 0.50 -0.74 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 1s4r h GLY 77 CO -0.22 0.68 -0.59 0.50 0.00 0.00 0.00 176.54 176.91 1s4r h LYS 78 N 1.00 0.00 0.04 4.80 1.57 -1.21 -2.05 116.57 120.72 1s4r h LYS 78 Ca 0.20 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1s4r h LYS 78 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1s4r h LYS 78 CO 0.01 0.59 -0.02 0.35 -0.57 0.00 0.00 179.45 179.81 1s4r h PHE 79 N 0.00 -0.05 -0.49 -1.35 3.57 -0.94 -1.95 116.94 115.72 1s4r h PHE 79 Ca -0.01 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1s4r h PHE 79 Cb 1.08 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1s4r h PHE 79 CO 0.00 0.51 0.26 1.57 -2.23 0.00 0.00 178.31 178.42 1s4r h LYS 80 N -0.66 0.68 -0.48 1.11 2.10 -0.96 -0.11 116.57 118.25 1s4r h LYS 80 Ca -0.01 -0.07 -0.12 0.00 -2.00 0.00 0.00 60.65 58.45 1s4r h LYS 80 Cb 0.58 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1s4r h LYS 80 CO 0.01 0.51 -0.19 0.93 -2.00 0.00 0.00 179.45 178.71 1s4r h GLU 81 N 0.69 0.97 -0.27 0.07 5.08 -1.37 -2.61 114.58 117.13 1s4r h GLU 81 Ca 0.18 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1s4r h GLU 81 Cb 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1s4r h GLU 81 CO -0.03 1.06 -0.16 0.78 -1.00 0.00 0.00 179.01 179.66 1s4r h GLY 82 N 0.91 0.64 1.00 -3.84 0.00 -0.49 -1.89 103.07 99.40 1s4r h GLY 82 Ca 0.12 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1s4r h GLY 82 CO 0.06 0.54 -0.05 -2.08 0.00 0.00 0.00 176.54 175.01 1s4r h VAL 83 N 0.32 0.91 -0.46 4.60 2.07 -1.04 0.18 116.25 122.82 1s4r h VAL 83 Ca 0.06 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1s4r h VAL 83 Cb 0.69 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1s4r h VAL 83 CO 0.05 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.89 1s4r h ALA 84 N 0.78 1.58 0.00 1.67 0.00 -1.50 -1.43 119.26 120.36 1s4r h ALA 84 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s4r h ALA 84 Cb 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1s4r h ALA 84 CO 0.02 0.35 0.00 0.77 0.00 0.00 0.00 179.25 180.39 1s4r h SER 85 N 0.64 0.00 -0.09 0.00 0.02 -0.93 -3.47 113.55 109.72 1s4r h SER 85 Ca 0.16 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1s4r h SER 85 Cb 0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1s4r h SER 85 CO -0.03 0.00 -0.03 0.61 -1.14 0.00 0.00 176.83 176.24 1s4r n GLY 86 N 1.01 0.54 3.29 -3.77 0.00 0.55 -5.00 105.19 101.80 1s4r n GLY 86 Ca 0.04 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1s4r n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4r s ASN 87 N -2.61 -0.42 -0.27 1.61 2.20 -0.78 -5.02 114.94 109.65 1s4r s ASN 87 Ca 0.00 0.81 -0.12 0.00 -0.94 0.00 0.00 52.86 52.61 1s4r s ASN 87 Cb 0.00 0.81 0.10 0.00 -2.00 0.00 0.00 41.25 40.16 1s4r s ASN 87 CO 0.00 -0.14 0.63 -0.22 -2.94 0.00 0.00 177.10 174.42 1s4r s LEU 88 N 0.27 -0.95 -0.47 3.54 2.96 -1.26 -4.33 118.68 118.44 1s4r s LEU 88 Ca -0.00 1.45 0.06 0.00 -0.22 0.00 0.00 54.13 55.42 1s4r s LEU 88 Cb -0.03 2.18 0.19 0.00 0.50 0.00 0.00 46.19 49.03 1s4r s LEU 88 CO -0.00 -0.23 0.73 0.54 -1.32 0.00 0.00 176.35 176.08 1s4r s ASN 89 N 2.30 -1.37 0.05 3.68 4.22 -1.24 -1.24 114.94 121.35 1s4r s ASN 89 Ca -0.07 -1.30 0.03 0.00 -2.14 0.00 0.00 52.86 49.37 1s4r s ASN 89 Cb -0.09 1.78 -0.03 0.00 1.28 0.00 0.00 41.25 44.19 1s4r s ASN 89 CO -0.18 -0.08 -0.08 0.28 -2.04 0.00 0.00 177.10 174.99 1s4r s THR 90 N 1.22 0.61 -0.01 0.54 -1.32 -0.53 -5.00 115.64 111.15 1s4r s THR 90 Ca 0.25 -1.13 0.02 0.00 -1.21 0.00 0.00 61.69 59.61 1s4r s THR 90 Cb -0.00 -0.70 -0.00 0.00 -1.51 0.00 0.00 72.50 70.29 1s4r s THR 90 CO -0.06 -0.38 -0.06 -0.32 -2.21 0.00 0.00 174.62 171.58 1s4r s MET 91 N -1.68 0.56 0.09 7.08 1.75 -1.26 -0.58 119.30 125.27 1s4r s MET 91 Ca -0.08 -0.22 -0.26 0.00 -1.25 0.00 0.00 55.69 53.87 1s4r s MET 91 Cb -0.09 -0.55 0.08 0.00 2.84 0.00 0.00 34.83 37.10 1s4r s MET 91 CO 0.00 0.12 0.89 -0.59 -0.65 0.00 0.00 175.02 174.79 1s4r s PHE 92 N -0.03 -0.26 0.16 4.11 -0.71 -0.35 -4.99 117.98 115.90 1s4r s PHE 92 Ca 0.01 0.03 -0.06 0.00 -1.04 0.00 0.00 56.93 55.87 1s4r s PHE 92 Cb -0.04 0.59 -0.06 0.00 -1.21 0.00 0.00 43.02 42.30 1s4r s PHE 92 CO -0.00 -0.72 0.41 -1.21 -1.34 0.00 0.00 175.22 172.36 1s4r s GLU 93 N -3.28 3.66 0.16 1.99 2.02 -1.26 -0.02 118.70 121.97 1s4r s GLU 93 Ca 0.08 -0.01 -0.15 0.00 0.02 0.00 0.00 54.97 54.90 1s4r s GLU 93 Cb -0.01 -2.81 0.02 0.00 0.10 0.00 0.00 34.13 31.43 1s4r s GLU 93 CO -0.04 0.44 0.43 -0.47 0.02 0.00 0.00 175.26 175.64 1s4r s TYR 94 N -1.69 -0.07 -0.18 1.61 5.04 -0.45 -4.93 117.35 116.69 1s4r s TYR 94 Ca 0.42 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.79 1s4r s TYR 94 Cb -0.12 0.26 0.01 0.00 0.35 0.00 0.00 41.96 42.46 1s4r s TYR 94 CO 0.24 -0.80 -0.17 0.99 -1.34 0.00 0.00 175.55 174.48 1s4r s THR 95 N -3.86 2.40 -0.28 4.34 2.01 -1.26 -0.60 115.64 118.40 1s4r s THR 95 Ca 0.08 -0.84 -0.22 0.00 0.31 0.00 0.00 61.69 61.02 1s4r s THR 95 Cb 0.01 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 1s4r s THR 95 CO -0.06 0.52 0.69 -0.36 -0.69 0.00 0.00 174.62 174.72 1s4r s PHE 96 N 1.15 3.25 0.00 4.92 0.40 0.67 -4.88 117.98 123.49 1s4r s PHE 96 Ca 0.01 0.81 0.00 0.00 -0.60 0.00 0.00 56.93 57.15 1s4r s PHE 96 Cb -0.14 -2.99 0.00 0.00 0.51 0.00 0.00 43.02 40.40 1s4r s PHE 96 CO -0.07 -0.42 0.74 -0.40 0.70 0.00 0.00 175.22 175.76 1s4r n ASP 97 N 5.90 0.00 -4.56 1.36 5.68 -1.26 -0.90 116.55 122.77 1s4r n ASP 97 Ca 0.01 -1.48 -0.43 0.00 -0.50 0.00 0.00 54.79 52.39 1s4r n ASP 97 Cb 0.48 -0.10 -0.05 0.00 -1.14 0.00 0.00 41.12 40.32 1s4r n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1s4r s TYR 98 N 0.00 3.03 -1.65 2.11 5.04 -1.26 -4.03 117.35 120.59 1s4r s TYR 98 Ca 0.00 0.36 -0.01 0.00 -2.44 0.00 0.00 57.07 54.98 1s4r s TYR 98 Cb 0.00 -3.60 0.00 0.00 0.35 0.00 0.00 41.96 38.72 1s4r s TYR 98 CO 0.00 -0.90 0.08 1.04 -1.34 0.00 0.00 175.55 174.43 1s4r n GLN 99 N 6.65 -2.17 -3.63 4.97 6.02 -1.26 -4.96 117.38 123.00 1s4r n GLN 99 Ca 0.03 0.93 -0.11 0.00 -0.01 0.00 0.00 57.00 57.85 1s4r n GLN 99 Cb 0.48 -5.62 -0.05 0.00 1.02 0.00 0.00 30.24 26.08 1s4r n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s4r s MET 100 N -5.14 1.07 0.10 -1.09 0.23 -1.26 -5.10 119.30 108.11 1s4r s MET 100 Ca 0.04 -0.69 -0.31 0.00 -1.03 0.00 0.00 55.69 53.70 1s4r s MET 100 Cb -0.02 0.47 -0.10 0.00 -1.53 0.00 0.00 34.83 33.65 1s4r s MET 100 CO 0.05 -0.42 1.86 0.99 -2.03 0.00 0.00 175.02 175.48 1s4r s THR 101 N -3.76 2.63 -0.43 3.16 2.01 -1.26 -4.67 115.64 113.32 1s4r s THR 101 Ca 0.03 0.03 -0.44 0.00 0.31 0.00 0.00 61.69 61.63 1s4r s THR 101 Cb 0.02 -3.02 -0.18 0.00 0.01 0.00 0.00 72.50 69.33 1s4r s THR 101 CO -0.12 -0.00 1.79 -2.65 -0.69 0.00 0.00 174.62 172.95 1s4r n PRO 102 N 6.09 0.41 -4.64 4.92 -0.02 -1.26 -4.81 135.00 135.70 1s4r n PRO 102 Ca 0.18 0.14 -0.30 0.00 -2.02 0.00 0.00 63.50 61.50 1s4r n PRO 102 Cb 0.39 -1.75 -0.17 0.00 -0.02 0.00 0.00 33.50 31.95 1s4r n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1s4r s THR 103 N 4.08 1.78 0.01 3.45 2.01 -0.08 -4.95 115.64 121.94 1s4r s THR 103 Ca 1.06 -0.82 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 1s4r s THR 103 Cb -1.33 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1s4r s THR 103 CO 0.72 0.50 0.80 -0.75 -0.69 0.00 0.00 174.62 175.20 1s4r s LYS 104 N 0.83 4.50 0.12 4.92 2.20 -1.26 -0.24 119.74 130.81 1s4r s LYS 104 Ca -0.08 1.10 -0.01 0.00 -0.36 0.00 0.00 55.97 56.62 1s4r s LYS 104 Cb -0.16 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1s4r s LYS 104 CO -0.00 0.15 0.04 0.14 -0.36 0.00 0.00 175.35 175.31 1s4r s VAL 105 N 0.42 0.13 -0.18 4.02 -7.23 0.23 -3.16 120.40 114.63 1s4r s VAL 105 Ca 0.41 -1.90 -0.06 0.00 -1.81 0.00 0.00 61.98 58.63 1s4r s VAL 105 Cb -0.20 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 1s4r s VAL 105 CO 0.23 -0.55 0.02 -0.75 -0.31 0.00 0.00 175.10 173.73 1s4r s LYS 106 N -4.03 3.78 -0.04 4.82 2.20 0.57 -1.34 119.74 125.70 1s4r s LYS 106 Ca 0.21 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.41 1s4r s LYS 106 Cb 0.08 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 1s4r s LYS 106 CO -0.00 0.18 -0.12 0.08 -0.36 0.00 0.00 175.35 175.13 1s4r s VAL 107 N 0.58 3.25 -0.14 4.02 1.01 0.98 -1.84 120.40 128.26 1s4r s VAL 107 Ca 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1s4r s VAL 107 Cb -0.14 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 33.98 1s4r s VAL 107 CO 0.02 0.55 0.02 -2.28 0.00 0.00 0.00 175.10 173.41 1s4r s HIS 108 N -0.80 0.85 -0.11 5.22 2.46 -0.05 -1.22 115.29 121.65 1s4r s HIS 108 Ca 0.13 -0.52 -0.02 0.00 0.47 0.00 0.00 55.06 55.11 1s4r s HIS 108 Cb -0.11 -0.92 -0.03 0.00 -0.13 0.00 0.00 32.58 31.39 1s4r s HIS 108 CO 0.02 -0.48 -0.04 -1.64 -2.47 0.00 0.00 174.74 170.13 1s4r s MET 109 N 1.92 3.19 -0.20 2.88 -1.94 0.25 0.26 119.30 125.66 1s4r s MET 109 Ca 0.02 -0.50 -0.20 0.00 -1.71 0.00 0.00 55.69 53.29 1s4r s MET 109 Cb -0.15 -2.77 0.06 0.00 2.01 0.00 0.00 34.83 33.97 1s4r s MET 109 CO -0.07 0.50 0.57 0.21 -0.01 0.00 0.00 175.02 176.22 1s4r s LYS 110 N -0.34 0.69 0.26 2.03 2.20 -0.21 -1.45 119.74 122.93 1s4r s LYS 110 Ca 0.06 0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 56.11 1s4r s LYS 110 Cb -0.12 0.34 -0.10 0.00 -1.51 0.00 0.00 37.83 36.43 1s4r s LYS 110 CO 0.02 -0.09 1.50 0.21 -0.36 0.00 0.00 175.35 176.63 1s4r s LYS 111 N 0.19 4.21 0.91 4.03 2.20 -0.37 -0.40 119.74 130.51 1s4r s LYS 111 Ca -0.01 2.40 -0.12 0.00 -0.36 0.00 0.00 55.97 57.88 1s4r s LYS 111 Cb -0.04 -3.08 0.14 0.00 -1.51 0.00 0.00 37.83 33.34 1s4r s LYS 111 CO 0.01 -0.50 1.14 0.00 -0.36 0.00 0.00 175.35 175.64 1s4r s ALA 112 N 0.06 1.81 0.09 3.13 0.00 -0.63 -4.82 121.76 121.41 1s4r s ALA 112 Ca 0.61 -0.55 0.20 0.00 0.00 0.00 0.00 51.96 52.23 1s4r s ALA 112 Cb -0.44 -3.02 0.66 0.00 0.00 0.00 0.00 23.12 20.32 1s4r s ALA 112 CO 0.44 -2.27 1.72 1.25 0.00 0.00 0.00 175.76 176.90 1s4r h LEU 113 N -1.49 0.00 0.00 0.00 6.46 -1.87 -3.45 115.31 114.96 1s4r h LEU 113 Ca -0.50 0.00 -0.37 0.00 -0.12 0.00 0.00 57.88 56.89 1s4r h LEU 113 Cb 1.33 0.00 0.21 0.00 -0.73 0.00 0.00 40.66 41.47 1s4r h LEU 113 CO 0.62 0.33 -0.05 -0.24 -0.62 0.00 0.00 178.44 178.48 1s4r n SER 114 N -3.42 -3.27 0.00 1.25 2.88 -1.26 -5.03 113.62 104.77 1s4r n SER 114 Ca 0.00 -0.99 0.00 0.00 -1.33 0.00 0.00 58.87 56.55 1s4r n SER 114 Cb 0.52 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1s4r n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s4r n GLY 115 N -5.27 -1.55 2.76 0.46 0.00 -1.26 -4.50 105.19 95.82 1s4r n GLY 115 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1s4r n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s4r n ASP 116 N 0.00 6.57 -3.94 1.61 2.03 -1.26 -4.94 116.55 116.62 1s4r n ASP 116 Ca 0.00 -3.60 -0.12 0.00 0.52 0.00 0.00 54.79 51.59 1s4r n ASP 116 Cb 0.00 -1.10 -0.13 0.00 -0.72 0.00 0.00 41.12 39.17 1s4r n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1s4r s SER 117 N -1.79 0.28 0.04 1.67 1.04 -1.26 -3.01 113.70 110.67 1s4r s SER 117 Ca 0.38 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.59 1s4r s SER 117 Cb 0.16 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 1s4r s SER 117 CO -0.05 -0.11 -0.08 -0.31 0.98 0.00 0.00 173.24 173.66 1s4r s TYR 118 N -0.65 0.70 -0.07 5.02 1.51 0.43 -1.60 117.35 122.69 1s4r s TYR 118 Ca -0.06 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 1s4r s TYR 118 Cb -0.05 -0.42 -0.04 0.00 -0.11 0.00 0.00 41.96 41.35 1s4r s TYR 118 CO -0.00 -0.06 0.05 -1.58 -1.11 0.00 0.00 175.55 172.85 1s4r s TRP 119 N -1.14 3.29 -0.19 2.71 0.52 0.47 -0.44 118.94 124.16 1s4r s TRP 119 Ca -0.07 0.27 0.01 0.00 0.02 0.00 0.00 56.10 56.33 1s4r s TRP 119 Cb -0.09 -1.81 0.04 0.00 -1.15 0.00 0.00 33.47 30.47 1s4r s TRP 119 CO 0.00 0.55 -0.10 0.08 0.02 0.00 0.00 176.95 177.51 1s4r s VAL 120 N -1.00 1.54 -0.12 4.03 1.01 -0.14 -1.04 120.40 124.68 1s4r s VAL 120 Ca 0.16 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 1s4r s VAL 120 Cb -0.12 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1s4r s VAL 120 CO 0.06 0.19 -0.02 -0.36 0.00 0.00 0.00 175.10 174.97 1s4r s PHE 121 N 1.45 3.08 -0.04 5.22 0.08 0.14 -1.14 117.98 126.76 1s4r s PHE 121 Ca -0.00 -0.06 0.04 0.00 0.12 0.00 0.00 56.93 57.02 1s4r s PHE 121 Cb -0.16 -1.88 -0.00 0.00 -0.57 0.00 0.00 43.02 40.41 1s4r s PHE 121 CO -0.08 0.19 -0.15 0.08 -0.10 0.00 0.00 175.22 175.16 1s4r s VAL 122 N -0.19 1.26 0.02 -0.44 1.01 -0.44 -0.87 120.40 120.75 1s4r s VAL 122 Ca 0.04 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1s4r s VAL 122 Cb -0.13 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 1s4r s VAL 122 CO 0.02 0.37 0.12 -1.59 0.00 0.00 0.00 175.10 174.02 1s4r s LYS 123 N 0.10 0.51 0.51 2.72 -2.85 -0.77 -0.47 119.74 119.50 1s4r s LYS 123 Ca -0.04 -0.53 -0.20 0.00 -1.00 0.00 0.00 55.97 54.20 1s4r s LYS 123 Cb -0.11 0.21 -0.07 0.00 -2.06 0.00 0.00 37.83 35.80 1s4r s LYS 123 CO 0.02 -0.12 1.12 1.03 0.10 0.00 0.00 175.35 177.49 1s4r s ARG 124 N -1.79 3.54 0.00 1.78 0.52 -1.26 -0.31 118.95 121.42 1s4r s ARG 124 Ca -0.12 1.59 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 1s4r s ARG 124 Cb -0.06 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.30 1s4r s ARG 124 CO -0.01 -0.69 0.26 1.33 0.02 0.00 0.00 175.30 176.21