#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c4r s ILE 3 N 0.00 3.87 0.25 3.15 1.01 -1.26 -4.81 121.20 123.42 3c4r s ILE 3 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.76 3c4r s ILE 3 Cb 0.00 -2.93 -0.10 0.00 0.01 0.00 0.00 42.46 39.44 3c4r s ILE 3 CO 0.00 0.19 1.41 -0.54 0.00 0.00 0.00 174.94 176.00 3c4r s LYS 4 N 1.51 4.29 0.31 2.79 1.02 -1.26 -4.90 119.74 123.49 3c4r s LYS 4 Ca 0.04 2.27 0.07 0.00 0.02 0.00 0.00 55.97 58.36 3c4r s LYS 4 Cb -0.16 -3.11 0.80 0.00 -0.52 0.00 0.00 37.83 34.84 3c4r s LYS 4 CO 0.01 -0.38 1.73 1.25 -0.92 0.00 0.00 175.35 177.05 3c4r h HIS 5 N 4.85 0.94 0.00 3.18 -0.00 -1.98 0.14 115.15 122.29 3c4r h HIS 5 Ca -0.46 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 59.92 3c4r h HIS 5 Cb 1.22 -0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 28.36 3c4r h HIS 5 CO 0.60 0.09 -0.11 1.05 -0.00 0.00 0.00 177.93 179.55 3c4r h GLU 6 N 0.59 0.00 0.00 5.26 9.09 -1.95 -1.14 114.58 126.43 3c4r h GLU 6 Ca 0.60 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.86 3c4r h GLU 6 Cb 1.09 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.16 3c4r h GLU 6 CO -0.46 0.11 -0.97 0.45 0.05 0.00 0.00 179.01 178.19 3c4r h HIS 7 N 0.00 0.00 -0.13 2.06 3.86 -1.11 -3.21 115.15 116.62 3c4r h HIS 7 Ca -0.00 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.01 3c4r h HIS 7 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3c4r h HIS 7 CO 0.00 0.63 -0.72 0.82 0.86 0.00 0.00 177.93 179.52 3c4r h ILE 8 N 0.00 1.33 0.00 2.45 2.04 -0.89 -3.09 117.51 119.35 3c4r h ILE 8 Ca -0.08 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.77 3c4r h ILE 8 Cb 1.55 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 3c4r h ILE 8 CO 0.07 0.62 0.00 -1.14 0.00 0.00 0.00 178.15 177.70 3c4r n ARG 9 N -3.90 0.10 -0.33 2.37 0.63 -0.49 -4.58 116.66 110.46 3c4r n ARG 9 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 3c4r n ARG 9 Cb 0.71 -1.31 0.00 0.00 0.45 0.00 0.00 32.46 32.30 3c4r n ARG 9 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3c4r n ALA 11 N 0.78 0.00 0.00 5.13 0.00 -1.17 -4.50 120.51 120.75 3c4r n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3c4r n ALA 11 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3c4r n ALA 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3c4r n ASN 13 N 0.00 0.00 -0.24 0.00 3.02 -1.26 -0.66 115.26 116.12 3c4r n ASN 13 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3c4r n ASN 13 Cb 0.00 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.39 3c4r n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3c4r h ALA 14 N 0.00 1.43 0.00 5.41 0.00 -1.95 0.76 119.26 124.90 3c4r h ALA 14 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3c4r h ALA 14 Cb 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3c4r h ALA 14 CO 0.00 0.53 -0.10 2.35 0.00 0.00 0.00 179.25 182.03 3c4r h TRP 15 N 1.08 0.00 0.13 0.00 7.01 -1.28 -3.20 115.95 119.69 3c4r h TRP 15 Ca 0.29 0.00 -0.33 0.00 2.11 0.00 0.00 58.89 60.96 3c4r h TRP 15 Cb -0.12 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 3c4r h TRP 15 CO 0.00 0.10 -1.74 0.00 -2.79 0.00 0.00 178.44 174.01 3c4r h ALA 16 N 1.90 0.34 -0.65 2.65 0.00 -1.19 -3.40 119.26 118.90 3c4r h ALA 16 Ca -0.00 -1.23 0.13 0.00 0.00 0.00 0.00 54.91 53.80 3c4r h ALA 16 Cb 0.64 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 18.77 3c4r h ALA 16 CO 0.01 1.20 -0.19 1.25 0.00 0.00 0.00 179.25 181.53 3c4r h HIS 17 N 0.07 -0.42 0.00 0.00 -0.00 -1.02 0.49 115.15 114.28 3c4r h HIS 17 Ca -0.33 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 3c4r h HIS 17 Cb 2.05 0.28 0.00 0.00 -0.00 0.00 0.00 27.41 29.74 3c4r h HIS 17 CO 0.07 -0.30 0.00 -2.30 -0.00 0.00 0.00 177.93 175.41 3c4r n PRO 18 N -5.45 0.00 -0.55 5.26 -0.02 -1.26 -3.98 135.00 129.00 3c4r n PRO 18 Ca 0.08 0.75 0.03 0.00 -2.02 0.00 0.00 63.50 62.34 3c4r n PRO 18 Cb 0.34 -1.48 0.20 0.00 -0.02 0.00 0.00 33.50 32.55 3c4r n PRO 18 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3c4r n ASP 19 N -2.46 2.51 0.00 2.55 8.00 -1.22 -5.10 116.55 120.82 3c4r n ASP 19 Ca 0.00 -3.55 0.00 0.00 0.71 0.00 0.00 54.79 51.95 3c4r n ASP 19 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 3c4r n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3c4r n GLY 20 N -1.07 -1.09 0.25 0.44 0.00 0.17 -4.57 105.19 99.32 3c4r n GLY 20 Ca 0.24 -1.63 0.17 0.00 0.00 0.00 0.00 46.02 44.80 3c4r n GLY 20 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3c4r h GLU 21 N 0.00 0.00 0.00 1.61 5.08 -1.92 -3.06 114.58 116.29 3c4r h GLU 21 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3c4r h GLU 21 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3c4r h GLU 21 CO 0.00 0.00 -0.15 0.87 -1.00 0.00 0.00 179.01 178.73 3c4r h LYS 22 N 0.00 0.00 0.30 2.33 6.56 -1.92 -2.88 116.57 120.95 3c4r h LYS 22 Ca 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 3c4r h LYS 22 Cb 0.28 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 3c4r h LYS 22 CO 0.00 0.15 -0.14 0.28 -2.06 0.00 0.00 179.45 177.68 3c4r h VAL 23 N 0.00 0.60 -0.22 0.50 2.07 -1.78 -1.09 116.25 116.33 3c4r h VAL 23 Ca -0.00 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 66.79 3c4r h VAL 23 Cb 0.32 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3c4r h VAL 23 CO 0.02 0.13 -0.10 -0.65 0.02 0.00 0.00 177.57 176.99 3c4r h PRO 24 N -0.89 -0.07 -0.64 1.57 0.11 -1.75 -0.24 132.00 130.10 3c4r h PRO 24 Ca -0.04 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.09 3c4r h PRO 24 Cb 0.52 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 3c4r h PRO 24 CO 0.07 -0.05 0.42 0.00 -0.21 0.00 0.00 178.00 178.23 3c4r h ALA 25 N 1.12 0.82 -0.89 -0.75 0.00 -1.59 1.36 119.26 119.33 3c4r h ALA 25 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3c4r h ALA 25 Cb 0.25 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3c4r h ALA 25 CO -0.27 0.22 0.50 0.00 0.00 0.00 0.00 179.25 179.70 3c4r h ALA 26 N 1.25 1.21 -0.02 0.00 0.00 -0.82 0.41 119.26 121.28 3c4r h ALA 26 Ca 0.24 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3c4r h ALA 26 Cb -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.37 3c4r h ALA 26 CO -0.06 0.65 -0.21 0.93 0.00 0.00 0.00 179.25 180.55 3c4r h GLU 27 N 1.24 0.18 -0.73 0.00 4.39 0.02 -2.79 114.58 116.89 3c4r h GLU 27 Ca 0.31 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 3c4r h GLU 27 Cb 0.01 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 3c4r h GLU 27 CO -0.05 0.86 0.31 0.82 -1.16 0.00 0.00 179.01 179.80 3c4r h ILE 28 N -0.45 1.24 -0.44 3.13 2.04 0.18 -2.66 117.51 120.55 3c4r h ILE 28 Ca -0.02 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3c4r h ILE 28 Cb 0.92 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3c4r h ILE 28 CO 0.04 0.30 0.28 0.74 0.00 0.00 0.00 178.15 179.51 3c4r h THR 29 N 1.04 1.12 -0.72 -0.27 2.02 -0.96 -0.78 112.91 114.35 3c4r h THR 29 Ca 0.25 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.20 3c4r h THR 29 Cb 0.16 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 3c4r h THR 29 CO -0.03 0.12 0.48 -0.09 0.37 0.00 0.00 175.52 176.37 3c4r h ARG 30 N 0.59 0.96 -0.26 6.66 2.43 -1.20 -2.46 114.38 121.10 3c4r h ARG 30 Ca 0.16 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 3c4r h ARG 30 Cb -0.05 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.27 3c4r h ARG 30 CO -0.03 0.64 -0.35 0.00 -1.51 0.00 0.00 179.97 178.71 3c4r h ALA 31 N 1.26 0.90 -0.35 2.80 0.00 -1.20 -2.31 119.26 120.37 3c4r h ALA 31 Ca 0.27 -0.41 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3c4r h ALA 31 Cb -0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 3c4r h ALA 31 CO -0.06 0.63 -0.09 -0.92 0.00 0.00 0.00 179.25 178.81 3c4r h TYR 32 N 0.48 -0.19 0.00 0.00 3.20 -0.69 -0.97 116.97 118.79 3c4r h TYR 32 Ca 0.05 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 3c4r h TYR 32 Cb 0.84 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 3c4r h TYR 32 CO 0.03 -0.15 -0.36 0.74 -1.64 0.00 0.00 178.16 176.78 3c4r h PHE 33 N -0.01 0.00 -0.24 -3.82 -1.00 -1.40 -2.75 116.94 107.72 3c4r h PHE 33 Ca 0.17 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.84 3c4r h PHE 33 Cb 0.26 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.82 3c4r h PHE 33 CO -0.32 0.36 -0.27 0.93 -1.61 0.00 0.00 178.31 177.40 3c4r h GLU 34 N 0.00 0.61 0.00 1.51 5.08 -0.82 -2.62 114.58 118.35 3c4r h GLU 34 Ca -0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3c4r h GLU 34 Cb 1.13 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3c4r h GLU 34 CO 0.05 0.94 0.00 1.28 -1.00 0.00 0.00 179.01 180.27 3c4r n LEU 35 N -4.32 0.00 -2.14 1.33 4.77 -0.43 -5.11 117.00 111.10 3c4r n LEU 35 Ca -0.05 0.41 -0.02 0.00 -0.03 0.00 0.00 56.01 56.32 3c4r n LEU 35 Cb 0.46 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3c4r n LEU 35 CO 0.44 -0.10 -0.43 0.61 -1.33 0.00 0.00 177.39 176.58 3c4r n GLY 36 N 0.76 -4.81 0.00 -0.72 0.00 -0.99 -5.09 105.19 94.33 3c4r n GLY 36 Ca 0.08 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.73 3c4r n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3c4r n THR 38 N 1.27 0.00 -3.78 2.61 -2.24 -1.26 -5.03 114.28 105.85 3c4r n THR 38 Ca -0.17 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 3c4r n THR 38 Cb 0.27 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.34 3c4r n THR 38 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3c4r s PHE 39 N 0.00 0.00 0.00 4.78 5.36 -1.26 -4.16 117.98 122.70 3c4r s PHE 39 Ca 0.00 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.14 3c4r s PHE 39 Cb 0.00 -0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.48 3c4r s PHE 39 CO 0.00 -0.09 0.00 -0.35 -1.46 0.00 0.00 175.22 173.32 3c4r n PRO 40 N 4.10 -0.77 -2.96 10.12 -0.04 -1.26 -4.57 135.00 139.62 3c4r n PRO 40 Ca -0.26 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.79 3c4r n PRO 40 Cb 0.51 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.93 3c4r n PRO 40 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3c4r s GLU 41 N -2.85 4.47 -0.03 0.54 0.41 -1.26 -5.05 118.70 114.94 3c4r s GLU 41 Ca 0.00 1.03 0.03 0.00 -0.41 0.00 0.00 54.97 55.62 3c4r s GLU 41 Cb 0.00 -3.44 -0.00 0.00 -1.78 0.00 0.00 34.13 28.91 3c4r s GLU 41 CO 0.00 0.05 -0.11 -1.17 -0.49 0.00 0.00 175.26 173.54 3c4r s LEU 42 N 0.79 1.86 -0.03 1.80 2.96 -1.26 -5.08 118.68 119.72 3c4r s LEU 42 Ca 0.41 -0.22 -0.30 0.00 -0.22 0.00 0.00 54.13 53.80 3c4r s LEU 42 Cb -0.19 -0.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.83 3c4r s LEU 42 CO 0.21 0.10 1.09 -0.31 -1.32 0.00 0.00 176.35 176.12 3c4r s TYR 43 N 0.06 3.45 0.69 5.38 4.12 -1.26 -5.04 117.35 124.75 3c4r s TYR 43 Ca -0.01 1.46 -0.11 0.00 0.02 0.00 0.00 57.07 58.43 3c4r s TYR 43 Cb -0.08 -3.28 0.01 0.00 -1.52 0.00 0.00 41.96 37.09 3c4r s TYR 43 CO 0.01 -0.66 1.08 0.16 0.02 0.00 0.00 175.55 176.15 3c4r s ASP 44 N 1.17 5.48 0.56 2.29 -4.77 -1.26 -4.79 116.67 115.35 3c4r s ASP 44 Ca 0.53 1.10 0.34 0.00 -3.30 0.00 0.00 52.55 51.22 3c4r s ASP 44 Cb -0.23 -1.92 1.48 0.00 -1.09 0.00 0.00 42.92 41.17 3c4r s ASP 44 CO 0.24 -1.31 1.79 0.44 0.70 0.00 0.00 175.17 177.03 3c4r h ASP 45 N -0.61 0.00 0.00 2.11 5.19 -2.00 -1.33 116.42 119.79 3c4r h ASP 45 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 3c4r h ASP 45 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 3c4r h ASP 45 CO 0.64 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 175.22 3c4r n SER 46 N -4.01 1.88 -4.01 6.45 3.41 -1.26 -4.56 113.62 111.52 3c4r n SER 46 Ca 0.21 -1.25 -0.22 0.00 -0.26 0.00 0.00 58.87 57.36 3c4r n SER 46 Cb 1.14 -0.32 -0.16 0.00 -0.26 0.00 0.00 64.21 64.61 3c4r n SER 46 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3c4r s HIS 47 N 0.39 1.13 0.00 7.33 3.76 -0.50 -5.10 115.29 122.30 3c4r s HIS 47 Ca 0.00 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 3c4r s HIS 47 Cb 0.00 -0.82 0.00 0.00 1.11 0.00 0.00 32.58 32.87 3c4r s HIS 47 CO 0.00 -0.15 0.77 -0.35 -0.85 0.00 0.00 174.74 174.15 3c4r n PRO 48 N 3.46 0.00 -0.20 8.40 -0.04 -1.26 -3.27 135.00 142.10 3c4r n PRO 48 Ca -0.20 0.48 0.02 0.00 -0.04 0.00 0.00 63.50 63.76 3c4r n PRO 48 Cb 0.53 -1.27 0.10 0.00 -0.04 0.00 0.00 33.50 32.83 3c4r n PRO 48 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3c4r n GLU 49 N -1.63 1.87 0.00 0.54 4.07 -1.26 -4.76 120.64 119.47 3c4r n GLU 49 Ca 0.00 -0.82 0.00 0.00 -0.06 0.00 0.00 57.16 56.28 3c4r n GLU 49 Cb 0.00 -1.52 0.00 0.00 -0.06 0.00 0.00 31.44 29.86 3c4r n GLU 49 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3c4r n ALA 50 N 0.15 0.00 -0.34 4.31 0.00 -1.20 -1.20 120.51 122.22 3c4r n ALA 50 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.54 3c4r n ALA 50 Cb 0.40 0.05 0.10 0.00 0.00 0.00 0.00 19.45 20.00 3c4r n ALA 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3c4r h LEU 51 N 0.00 -1.01 -1.21 0.00 5.85 -1.86 0.44 115.31 117.52 3c4r h LEU 51 Ca 0.00 0.28 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 3c4r h LEU 51 Cb 0.00 0.62 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 3c4r h LEU 51 CO 0.00 -0.31 0.46 0.00 -0.34 0.00 0.00 178.44 178.26 3c4r h ALA 52 N 1.77 1.41 -0.18 1.25 0.00 -1.54 -0.30 119.26 121.67 3c4r h ALA 52 Ca 0.42 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 55.04 3c4r h ALA 52 Cb 0.66 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3c4r h ALA 52 CO -0.96 0.52 -0.71 0.00 0.00 0.00 0.00 179.25 178.10 3c4r h ARG 53 N 1.02 0.80 -0.24 0.00 3.08 0.12 -2.76 114.38 116.40 3c4r h ARG 53 Ca 0.27 -0.62 -0.10 0.00 0.07 0.00 0.00 59.98 59.60 3c4r h ARG 53 Cb -0.07 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3c4r h ARG 53 CO -0.05 1.23 -0.26 -0.91 -1.07 0.00 0.00 179.97 178.90 3c4r h ASN 54 N 0.54 0.46 -0.25 7.04 2.35 -0.21 -2.06 115.58 123.45 3c4r h ASN 54 Ca -0.04 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.52 3c4r h ASN 54 Cb 1.34 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 3c4r h ASN 54 CO 0.15 0.72 0.01 0.74 -1.65 0.00 0.00 177.43 177.39 3c4r h THR 55 N 0.40 1.25 -0.35 2.81 2.02 -1.02 -1.07 112.91 116.95 3c4r h THR 55 Ca 0.06 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 3c4r h THR 55 Cb 0.68 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 3c4r h THR 55 CO 0.05 0.28 0.12 -0.61 0.37 0.00 0.00 175.52 175.73 3c4r h GLN 56 N 0.21 0.54 0.13 6.66 4.15 -1.42 -2.46 115.11 122.92 3c4r h GLN 56 Ca 0.07 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3c4r h GLN 56 Cb 0.40 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 3c4r h GLN 56 CO 0.01 0.55 -0.35 0.87 -1.93 0.00 0.00 178.83 177.99 3c4r h LYS 57 N 0.42 -0.51 -0.06 1.69 1.57 -1.27 -2.32 116.57 116.09 3c4r h LYS 57 Ca 0.12 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 3c4r h LYS 57 Cb 0.23 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 3c4r h LYS 57 CO -0.01 -0.34 -0.37 0.82 -0.57 0.00 0.00 179.45 178.98 3c4r h ILE 58 N -0.53 0.22 0.00 1.86 2.04 -1.19 -2.06 117.51 117.85 3c4r h ILE 58 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3c4r h ILE 58 Cb 0.52 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3c4r h ILE 58 CO -0.16 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.48 3c4r n PHE 59 N -5.43 0.00 0.03 1.37 3.01 -0.93 -2.12 117.46 113.39 3c4r n PHE 59 Ca -0.05 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.25 3c4r n PHE 59 Cb 0.35 -0.45 -0.06 0.00 -0.01 0.00 0.00 39.48 39.30 3c4r n PHE 59 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3c4r h ARG 60 N 0.00 0.60 -0.11 -1.08 2.43 -0.79 -2.38 114.38 113.06 3c4r h ARG 60 Ca 0.00 -0.58 -0.18 0.00 -0.81 0.00 0.00 59.98 58.41 3c4r h ARG 60 Cb 0.30 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3c4r h ARG 60 CO 0.00 1.20 -0.68 -1.49 -1.51 0.00 0.00 179.97 177.49 3c4r h TRP 61 N 0.37 0.59 -0.89 2.20 6.55 -1.17 -3.18 115.95 120.43 3c4r h TRP 61 Ca -0.08 -0.25 0.01 0.00 0.95 0.00 0.00 58.89 59.52 3c4r h TRP 61 Cb 1.53 -0.10 -0.04 0.00 -0.86 0.00 0.00 29.16 29.69 3c4r h TRP 61 CO 0.08 0.99 0.58 0.28 -1.05 0.00 0.00 178.44 179.32 3c4r h VAL 62 N 0.32 1.23 -0.21 1.49 2.07 -1.33 -2.93 116.25 116.90 3c4r h VAL 62 Ca -0.02 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 3c4r h VAL 62 Cb 1.24 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3c4r h VAL 62 CO 0.12 0.23 -0.25 -0.33 0.02 0.00 0.00 177.57 177.36 3c4r h GLU 63 N 1.21 0.39 -7.11 1.57 5.08 -1.44 -3.46 114.58 110.82 3c4r h GLU 63 Ca 0.32 -0.14 -0.45 0.00 -1.00 0.00 0.00 59.36 58.10 3c4r h GLU 63 Cb -0.12 -0.03 0.06 0.00 0.50 0.00 0.00 28.75 29.17 3c4r h GLU 63 CO -0.07 0.62 0.12 0.15 -1.00 0.00 0.00 179.01 178.83 3c4r s LYS 64 N -4.49 2.38 -0.06 2.33 -0.14 -1.11 -5.04 119.74 113.61 3c4r s LYS 64 Ca -0.06 -0.44 0.09 0.00 -1.36 0.00 0.00 55.97 54.20 3c4r s LYS 64 Cb 0.14 -2.30 0.14 0.00 -1.68 0.00 0.00 37.83 34.14 3c4r s LYS 64 CO 0.77 -1.00 1.06 -0.25 -0.76 0.00 0.00 175.35 175.18 3c4r n ASP 65 N -2.67 1.25 -4.88 2.83 8.00 -1.26 -4.79 116.55 115.03 3c4r n ASP 65 Ca 0.08 -2.51 -0.30 0.00 0.71 0.00 0.00 54.79 52.76 3c4r n ASP 65 Cb 0.60 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 3c4r n ASP 65 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3c4r s THR 66 N -1.47 4.75 0.33 -3.53 -4.23 -1.26 -4.84 115.64 105.38 3c4r s THR 66 Ca 0.16 0.74 0.08 0.00 -1.18 0.00 0.00 61.69 61.49 3c4r s THR 66 Cb 0.14 -3.86 0.32 0.00 1.34 0.00 0.00 72.50 70.44 3c4r s THR 66 CO 0.01 -1.04 1.80 -0.65 -0.54 0.00 0.00 174.62 174.21 3c4r h PRO 67 N -0.09 0.69 0.14 3.99 0.11 -1.98 -0.20 132.00 134.66 3c4r h PRO 67 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3c4r h PRO 67 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3c4r h PRO 67 CO 0.62 0.46 -0.07 0.22 -0.21 0.00 0.00 178.00 179.02 3c4r h ASP 68 N 0.71 -0.16 -0.20 -2.05 3.58 -1.99 -0.25 116.42 116.07 3c4r h ASP 68 Ca 0.54 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.81 3c4r h ASP 68 Cb 0.91 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 3c4r h ASP 68 CO -0.32 0.10 0.12 0.00 -2.88 0.00 0.00 179.24 176.26 3c4r h ALA 69 N 0.40 0.25 -0.54 -0.78 0.00 -1.76 -2.08 119.26 114.76 3c4r h ALA 69 Ca -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3c4r h ALA 69 Cb 0.33 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3c4r h ALA 69 CO 0.03 -0.25 0.35 0.28 0.00 0.00 0.00 179.25 179.67 3c4r h VAL 70 N 0.25 1.13 0.00 0.00 2.07 -1.01 -1.55 116.25 117.14 3c4r h VAL 70 Ca 0.07 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 3c4r h VAL 70 Cb 0.01 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3c4r h VAL 70 CO -0.01 0.13 -0.38 1.05 0.02 0.00 0.00 177.57 178.38 3c4r h GLU 71 N 0.72 0.00 -0.08 1.57 4.11 -0.93 -1.78 114.58 118.19 3c4r h GLU 71 Ca 0.20 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.41 3c4r h GLU 71 Cb -0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.19 3c4r h GLU 71 CO -0.05 0.38 -0.83 0.87 0.07 0.00 0.00 179.01 179.45 3c4r h LYS 72 N 0.00 0.61 -0.40 1.06 1.57 -0.97 -1.37 116.57 117.07 3c4r h LYS 72 Ca -0.00 -0.54 -0.16 0.00 -1.87 0.00 0.00 60.65 58.08 3c4r h LYS 72 Cb 0.81 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 3c4r h LYS 72 CO 0.05 1.16 -0.36 0.82 -0.57 0.00 0.00 179.45 180.55 3c4r h ILE 73 N 0.39 1.27 -0.32 1.86 1.08 -1.14 -1.99 117.51 118.66 3c4r h ILE 73 Ca -0.06 -1.53 0.05 0.00 -0.39 0.00 0.00 64.86 62.92 3c4r h ILE 73 Cb 1.45 1.35 -0.04 0.00 -3.07 0.00 0.00 36.82 36.51 3c4r h ILE 73 CO 0.16 0.51 0.07 1.56 -0.69 0.00 0.00 178.15 179.76 3c4r h GLN 74 N 0.77 0.18 -0.09 2.37 1.08 -1.27 0.86 115.11 119.00 3c4r h GLN 74 Ca 0.07 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.27 3c4r h GLN 74 Cb 0.95 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.34 3c4r h GLN 74 CO 0.09 0.12 0.06 0.00 -0.95 0.00 0.00 178.83 178.15 3c4r h ALA 75 N 1.24 1.98 0.00 3.87 0.00 -1.07 -1.95 119.26 123.32 3c4r h ALA 75 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3c4r h ALA 75 Cb 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3c4r h ALA 75 CO -0.20 0.01 -0.09 1.25 0.00 0.00 0.00 179.25 180.22 3c4r h LEU 76 N 0.09 0.00 -0.82 0.00 5.85 -0.13 -3.39 115.31 116.91 3c4r h LEU 76 Ca 0.04 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.96 3c4r h LEU 76 Cb 0.04 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.92 3c4r h LEU 76 CO -0.01 0.09 -0.08 0.18 -0.34 0.00 0.00 178.44 178.29 3c4r n LEU 77 N -3.12 -0.18 -0.32 2.25 4.77 -0.25 -0.29 117.00 119.86 3c4r n LEU 77 Ca 0.04 1.40 0.03 0.00 -0.03 0.00 0.00 56.01 57.44 3c4r n LEU 77 Cb 0.57 -0.47 0.18 0.00 -2.33 0.00 0.00 43.42 41.36 3c4r n LEU 77 CO 0.35 -1.38 1.18 -0.65 -1.33 0.00 0.00 177.39 175.56 3c4r h PRO 78 N 0.00 0.89 0.00 3.23 0.11 -1.80 0.15 132.00 134.58 3c4r h PRO 78 Ca 0.45 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.41 3c4r h PRO 78 Cb 0.84 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3c4r h PRO 78 CO -0.80 0.59 -0.47 0.00 -0.21 0.00 0.00 178.00 177.11 3c4r h ALA 79 N 1.46 0.81 -0.05 -0.75 0.00 -0.96 -2.54 119.26 117.23 3c4r h ALA 79 Ca 0.42 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3c4r h ALA 79 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3c4r h ALA 79 CO -0.23 0.59 -0.12 0.82 0.00 0.00 0.00 179.25 180.31 3c4r h ILE 80 N 0.00 1.44 -0.09 0.00 2.04 -0.68 -2.97 117.51 117.25 3c4r h ILE 80 Ca -0.00 -1.47 -0.05 0.00 1.00 0.00 0.00 64.86 64.33 3c4r h ILE 80 Cb 1.17 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 39.53 3c4r h ILE 80 CO 0.06 0.40 -0.19 -0.33 0.00 0.00 0.00 178.15 178.10 3c4r h GLU 81 N -0.36 0.15 0.00 2.37 5.08 -0.76 -2.69 114.58 118.37 3c4r h GLU 81 Ca -0.00 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 3c4r h GLU 81 Cb 0.72 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3c4r h GLU 81 CO 0.03 0.34 -0.58 -0.22 -1.00 0.00 0.00 179.01 177.57 3c4r h LYS 82 N 0.14 0.00 -1.94 2.33 3.11 -1.46 -3.49 116.57 115.26 3c4r h LYS 82 Ca 0.03 0.00 -0.69 0.00 -2.81 0.00 0.00 60.65 57.18 3c4r h LYS 82 Cb 0.42 0.00 -0.34 0.00 -1.00 0.00 0.00 32.23 31.31 3c4r h LYS 82 CO 0.03 0.58 0.22 -1.13 -2.81 0.00 0.00 179.45 176.34 3c4r n SER 83 N -3.85 6.12 -4.73 4.20 3.41 -1.02 -5.07 113.62 112.69 3c4r n SER 83 Ca -0.01 -3.75 -0.37 0.00 -0.26 0.00 0.00 58.87 54.47 3c4r n SER 83 Cb 0.58 -0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 3c4r n SER 83 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3c4r s PRO 85 N -3.86 4.26 0.27 4.33 0.02 -1.26 -4.97 135.00 133.79 3c4r s PRO 85 Ca 0.48 0.27 -0.03 0.00 0.02 0.00 0.00 61.00 61.74 3c4r s PRO 85 Cb 0.36 -3.41 0.56 0.00 0.02 0.00 0.00 34.50 32.02 3c4r s PRO 85 CO -0.25 0.24 1.63 -1.35 -0.33 0.00 0.00 177.00 176.94 3c4r h PRO 86 N 6.55 0.13 -0.41 5.54 0.11 -1.99 0.23 132.00 142.16 3c4r h PRO 86 Ca -0.42 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 3c4r h PRO 86 Cb 1.17 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3c4r h PRO 86 CO 0.74 0.09 0.19 1.25 -0.21 0.00 0.00 178.00 180.06 3c4r h LEU 87 N 0.14 0.51 -0.32 2.35 6.46 -2.03 0.20 115.31 122.61 3c4r h LEU 87 Ca 0.48 -0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 58.08 3c4r h LEU 87 Cb 0.90 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 3c4r h LEU 87 CO -0.68 0.44 -0.25 -0.07 -0.62 0.00 0.00 178.44 177.26 3c4r h LEU 88 N 0.57 0.78 -0.93 2.25 -0.00 -1.05 -1.20 115.31 115.73 3c4r h LEU 88 Ca 0.14 -0.45 -0.04 0.00 -0.00 0.00 0.00 57.88 57.53 3c4r h LEU 88 Cb 0.07 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.48 3c4r h LEU 88 CO -0.02 1.06 0.26 0.58 -0.00 0.00 0.00 178.44 180.33 3c4r h VAL 89 N 0.51 1.24 -0.42 1.22 2.07 -0.18 -2.70 116.25 117.99 3c4r h VAL 89 Ca 0.06 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 3c4r h VAL 89 Cb 0.82 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3c4r h VAL 89 CO 0.07 0.31 -0.15 0.00 0.02 0.00 0.00 177.57 177.81 3c4r h ALA 90 N 1.27 0.59 0.00 1.67 0.00 -0.47 -2.17 119.26 120.15 3c4r h ALA 90 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3c4r h ALA 90 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3c4r h ALA 90 CO -0.02 0.52 0.00 0.54 0.00 0.00 0.00 179.25 180.29 3c4r n ARG 91 N -4.25 0.06 0.00 0.00 1.74 -0.47 -2.25 116.66 111.49 3c4r n ARG 91 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3c4r n ARG 91 Cb 0.41 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 3c4r n ARG 91 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3c4r n ARG 93 N 0.75 0.00 0.08 5.56 1.85 -0.82 -4.13 116.66 119.95 3c4r n ARG 93 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.91 3c4r n ARG 93 Cb 0.02 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.40 3c4r n ARG 93 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3c4r h SER 94 N 0.00 0.00 0.29 2.89 4.64 -1.69 -3.14 113.55 116.54 3c4r h SER 94 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3c4r h SER 94 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3c4r h SER 94 CO 0.00 0.26 -0.11 0.45 -0.87 0.00 0.00 176.83 176.55 3c4r h HIS 95 N 0.00 0.00 -0.01 4.77 3.86 -1.88 -3.05 115.15 118.84 3c4r h HIS 95 Ca -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3c4r h HIS 95 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 3c4r h HIS 95 CO 0.00 0.11 0.00 -1.13 0.86 0.00 0.00 177.93 177.77 3c4r n SER 96 N -3.76 1.60 -3.79 2.45 3.41 -1.25 -5.00 113.62 107.28 3c4r n SER 96 Ca -0.02 -1.30 -0.13 0.00 -0.26 0.00 0.00 58.87 57.15 3c4r n SER 96 Cb 0.22 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.02 3c4r n SER 96 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3c4r s SER 97 N -0.60 -0.06 0.14 4.04 0.15 -1.15 -5.04 113.70 111.18 3c4r s SER 97 Ca 0.08 0.20 -0.10 0.00 0.70 0.00 0.00 55.95 56.83 3c4r s SER 97 Cb 0.06 0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 3c4r s SER 97 CO 0.09 -0.10 1.45 0.00 1.20 0.00 0.00 173.24 175.87 3c4r h ALA 98 N 6.82 0.54 -0.32 5.45 0.00 -1.89 -2.63 119.26 127.22 3c4r h ALA 98 Ca -0.37 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.11 3c4r h ALA 98 Cb 1.16 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3c4r h ALA 98 CO 0.45 0.68 -0.06 -0.92 0.00 0.00 0.00 179.25 179.40 3c4r h TYR 99 N 0.67 -0.13 0.00 0.00 3.20 -1.94 0.33 116.97 119.11 3c4r h TYR 99 Ca 0.03 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 3c4r h TYR 99 Cb 1.09 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 3c4r h TYR 99 CO 0.07 -0.12 -0.40 0.74 -1.64 0.00 0.00 178.16 176.81 3c4r h PHE 100 N 0.02 0.00 -0.16 -3.82 -1.00 -1.83 -2.55 116.94 107.61 3c4r h PHE 100 Ca 0.15 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.73 3c4r h PHE 100 Cb 0.23 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.80 3c4r h PHE 100 CO -0.28 0.40 -0.70 -0.09 -1.61 0.00 0.00 178.31 176.03 3c4r h ARG 101 N 0.00 0.75 0.00 1.51 2.43 -0.91 -2.31 114.38 115.85 3c4r h ARG 101 Ca -0.00 -0.60 -0.04 0.00 -0.81 0.00 0.00 59.98 58.52 3c4r h ARG 101 Cb 0.93 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 3c4r h ARG 101 CO 0.05 1.21 -0.21 0.93 -1.51 0.00 0.00 179.97 180.44 3c4r h GLU 102 N 0.47 0.00 0.05 0.20 5.08 -0.27 -2.12 114.58 117.98 3c4r h GLU 102 Ca -0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3c4r h GLU 102 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3c4r h GLU 102 CO 0.15 0.21 -0.02 1.25 -1.00 0.00 0.00 179.01 179.59 3c4r h LEU 103 N 0.00 -0.06 0.02 1.33 5.85 -1.31 -2.07 115.31 119.08 3c4r h LEU 103 Ca -0.00 -0.53 0.03 0.00 0.84 0.00 0.00 57.88 58.22 3c4r h LEU 103 Cb 0.48 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3c4r h LEU 103 CO 0.03 0.53 -0.26 0.58 -0.34 0.00 0.00 178.44 178.97 3c4r h VAL 104 N -0.67 0.41 -0.74 1.05 2.07 -1.24 -1.35 116.25 115.77 3c4r h VAL 104 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 3c4r h VAL 104 Cb 0.58 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 3c4r h VAL 104 CO 0.01 0.00 0.38 -0.33 0.02 0.00 0.00 177.57 177.65 3c4r h GLU 105 N -0.42 0.63 -0.67 1.57 5.08 -1.47 -0.59 114.58 118.72 3c4r h GLU 105 Ca 0.06 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 3c4r h GLU 105 Cb 0.49 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3c4r h GLU 105 CO -0.22 0.42 0.12 1.15 -1.00 0.00 0.00 179.01 179.48 3c4r h THR 106 N 0.65 1.26 -0.66 1.13 2.02 -0.94 -2.31 112.91 114.05 3c4r h THR 106 Ca 0.36 -1.02 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 3c4r h THR 106 Cb 0.37 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3c4r h THR 106 CO -0.26 0.38 0.22 -0.09 0.37 0.00 0.00 175.52 176.14 3c4r h ARG 107 N 1.02 1.00 -0.56 6.66 9.65 -0.31 -1.82 114.38 130.03 3c4r h ARG 107 Ca 0.20 -0.19 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 3c4r h ARG 107 Cb 0.42 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.82 3c4r h ARG 107 CO 0.01 0.85 0.21 0.93 2.80 0.00 0.00 179.97 184.77 3c4r h GLU 108 N 0.97 0.85 -0.39 0.20 4.39 -0.76 -1.95 114.58 117.90 3c4r h GLU 108 Ca 0.22 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3c4r h GLU 108 Cb 0.26 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3c4r h GLU 108 CO -0.01 0.75 0.20 0.00 -1.16 0.00 0.00 179.01 178.78 3c4r h ARG 109 N 0.78 0.55 -0.92 2.33 3.08 -1.14 -0.15 114.38 118.90 3c4r h ARG 109 Ca 0.19 -0.07 0.16 0.00 0.07 0.00 0.00 59.98 60.32 3c4r h ARG 109 Cb 0.23 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.10 3c4r h ARG 109 CO -0.01 0.47 0.59 1.25 -1.07 0.00 0.00 179.97 181.20 3c4r h LEU 110 N 0.49 0.65 0.05 3.04 6.46 -0.97 0.12 115.31 125.14 3c4r h LEU 110 Ca 0.13 0.05 -0.24 0.00 -0.12 0.00 0.00 57.88 57.71 3c4r h LEU 110 Cb 0.10 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 3c4r h LEU 110 CO -0.02 0.30 -1.10 0.58 -0.62 0.00 0.00 178.44 177.58 3c4r h VAL 111 N 0.67 1.63 -0.23 1.05 2.07 -0.69 -2.57 116.25 118.17 3c4r h VAL 111 Ca 0.48 -3.28 -0.05 0.00 0.82 0.00 0.00 66.70 64.67 3c4r h VAL 111 Cb 0.83 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 3c4r h VAL 111 CO -0.24 0.94 -0.07 0.03 0.02 0.00 0.00 177.57 178.26 3c4r h ARG 112 N 0.03 0.45 0.00 1.57 3.08 0.25 -0.18 114.38 119.58 3c4r h ARG 112 Ca -0.06 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 3c4r h ARG 112 Cb 1.85 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.87 3c4r h ARG 112 CO 0.16 0.69 -0.22 -0.44 -1.07 0.00 0.00 179.97 179.09 3c4r h ASP 113 N 0.19 0.00 -0.06 7.04 3.32 -0.90 0.32 116.42 126.32 3c4r h ASP 113 Ca 0.06 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3c4r h ASP 113 Cb 0.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.09 3c4r h ASP 113 CO 0.02 0.22 -0.44 0.00 -1.72 0.00 0.00 179.24 177.33 3c4r h ALA 114 N 1.78 0.14 -0.07 3.45 0.00 -1.20 -1.60 119.26 121.75 3c4r h ALA 114 Ca -0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3c4r h ALA 114 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3c4r h ALA 114 CO 0.03 0.28 -0.11 -0.44 0.00 0.00 0.00 179.25 179.02 3c4r h ASP 115 N -0.07 0.10 -0.53 0.00 3.32 -0.54 -1.13 116.42 117.57 3c4r h ASP 115 Ca -0.04 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3c4r h ASP 115 Cb 1.11 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3c4r h ASP 115 CO 0.09 0.22 0.22 0.44 -1.72 0.00 0.00 179.24 178.49 3c4r h ASP 116 N 0.10 0.72 -0.39 6.45 5.19 -0.15 -1.51 116.42 126.83 3c4r h ASP 116 Ca 0.02 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.26 3c4r h ASP 116 Cb 0.26 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 3c4r h ASP 116 CO 0.02 0.68 0.21 0.15 -3.12 0.00 0.00 179.24 177.18 3c4r h PHE 117 N 0.71 0.54 0.16 4.55 3.57 -0.24 -1.36 116.94 124.87 3c4r h PHE 117 Ca 0.18 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.68 3c4r h PHE 117 Cb 0.18 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3c4r h PHE 117 CO 0.00 0.42 -0.31 0.28 -2.23 0.00 0.00 178.31 176.47 3c4r h VAL 118 N 0.50 0.33 -0.40 1.41 2.07 -1.01 0.28 116.25 119.44 3c4r h VAL 118 Ca 0.14 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.74 3c4r h VAL 118 Cb 0.06 0.33 -0.09 0.00 -1.52 0.00 0.00 31.29 30.08 3c4r h VAL 118 CO -0.02 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.38 3c4r h ALA 119 N 0.08 0.12 0.15 1.67 0.00 -1.10 1.00 119.26 121.17 3c4r h ALA 119 Ca 0.02 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3c4r h ALA 119 Cb 0.57 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3c4r h ALA 119 CO -0.16 -0.55 -0.07 0.28 0.00 0.00 0.00 179.25 178.75 3c4r h VAL 120 N -0.11 0.85 -0.13 0.00 2.07 -0.81 -1.05 116.25 117.07 3c4r h VAL 120 Ca 0.20 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 3c4r h VAL 120 Cb 0.41 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3c4r h VAL 120 CO -0.48 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.18 3c4r h ALA 121 N 0.66 1.87 0.19 1.67 0.00 0.12 -2.02 119.26 121.74 3c4r h ALA 121 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3c4r h ALA 121 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3c4r h ALA 121 CO 0.03 0.11 -0.09 0.82 0.00 0.00 0.00 179.25 180.12 3c4r h ILE 122 N 0.18 0.86 -1.24 0.00 2.04 -0.48 -2.60 117.51 116.28 3c4r h ILE 122 Ca 0.05 -0.99 0.36 0.00 1.00 0.00 0.00 64.86 65.28 3c4r h ILE 122 Cb 0.02 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3c4r h ILE 122 CO -0.01 0.20 0.88 0.00 0.00 0.00 0.00 178.15 179.23 3c4r h ALA 123 N -0.21 3.13 0.14 1.87 0.00 -0.86 -2.46 119.26 120.88 3c4r h ALA 123 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3c4r h ALA 123 Cb 0.52 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3c4r h ALA 123 CO 0.04 -1.49 -0.07 0.78 0.00 0.00 0.00 179.25 178.51 3c4r h GLY 124 N 0.02 -0.20 0.00 0.00 0.00 -1.22 -3.51 103.07 98.15 3c4r h GLY 124 Ca 0.59 0.07 0.00 0.00 0.00 0.00 0.00 47.33 48.00 3c4r h GLY 124 CO -0.02 -0.07 0.00 0.69 0.00 0.00 0.00 176.54 177.13