#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 -0.47 0.00 0.58 1.01 -1.26 -4.82 121.20 116.25 3c4r s ILE 3 Ca 0.00 -0.34 -0.36 0.00 0.00 0.00 0.00 60.65 59.95 3c4r s ILE 3 Cb 0.00 -0.92 -0.15 0.00 0.01 0.00 0.00 42.46 41.40 3c4r s ILE 3 CO 0.00 -0.35 1.61 0.29 0.00 0.00 0.00 174.94 176.49 3c4r n LYS 4 N 5.33 1.69 -0.33 2.79 5.02 -1.26 -4.82 118.16 126.58 3c4r n LYS 4 Ca -0.02 0.61 0.24 0.00 -2.02 0.00 0.00 58.31 57.12 3c4r n LYS 4 Cb 0.48 -2.35 0.47 0.00 -0.02 0.00 0.00 35.03 33.61 3c4r n LYS 4 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3c4r h HIS 5 N 6.51 0.78 -0.27 2.13 -0.00 -1.99 0.46 115.15 122.77 3c4r h HIS 5 Ca -0.47 0.04 0.06 0.00 -0.00 0.00 0.00 60.37 60.00 3c4r h HIS 5 Cb 1.29 -0.18 -0.06 0.00 -0.00 0.00 0.00 27.41 28.47 3c4r h HIS 5 CO 0.70 -0.26 -0.10 0.93 -0.00 0.00 0.00 177.93 179.19 3c4r h GLU 6 N 0.22 -0.05 0.00 5.26 5.08 -1.95 -0.89 114.58 122.24 3c4r h GLU 6 Ca 0.73 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 59.03 3c4r h GLU 6 Cb 1.70 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 3c4r h GLU 6 CO -0.67 -0.04 -0.28 0.45 -1.00 0.00 0.00 179.01 177.47 3c4r h HIS 7 N -0.06 0.00 0.00 4.33 3.86 -1.28 -0.33 115.15 121.67 3c4r h HIS 7 Ca 0.14 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.24 3c4r h HIS 7 Cb 0.27 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 3c4r h HIS 7 CO -0.30 0.28 -0.52 0.82 0.86 0.00 0.00 177.93 179.08 3c4r h ILE 8 N 0.00 1.32 0.00 2.45 2.04 -0.85 -2.94 117.51 119.54 3c4r h ILE 8 Ca -0.00 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.06 3c4r h ILE 8 Cb 0.62 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3c4r h ILE 8 CO 0.04 0.51 0.00 -1.14 0.00 0.00 0.00 178.15 177.55 3c4r n ARG 9 N -3.86 0.45 -0.37 2.37 0.63 -0.14 -4.66 116.66 111.09 3c4r n ARG 9 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3c4r n ARG 9 Cb 0.54 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 32.19 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 0.58 0.00 0.00 5.13 0.00 -1.11 -4.55 120.51 120.56 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 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.08 0.00 3.02 -1.26 -0.87 115.26 116.07 3c4r n ASN 13 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 3c4r n ASN 13 Cb 0.00 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 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 0.86 -0.10 5.41 0.00 -1.97 -0.76 119.26 122.71 3c4r h ALA 14 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 3c4r h ALA 14 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3c4r h ALA 14 CO 0.00 0.63 -0.22 2.35 0.00 0.00 0.00 179.25 182.02 3c4r h TRP 15 N 0.67 0.17 -0.01 0.00 7.01 -1.39 -2.62 115.95 119.78 3c4r h TRP 15 Ca 0.09 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.06 3c4r h TRP 15 Cb 0.76 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.77 3c4r h TRP 15 CO 0.04 0.37 -0.35 0.00 -2.79 0.00 0.00 178.44 175.71 3c4r n ALA 16 N -2.49 3.28 -0.21 2.65 0.00 -1.04 -4.52 120.51 118.18 3c4r n ALA 16 Ca -0.01 -0.49 0.01 0.00 0.00 0.00 0.00 53.44 52.95 3c4r n ALA 16 Cb 0.32 -1.01 0.10 0.00 0.00 0.00 0.00 19.45 18.86 3c4r n ALA 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3c4r h HIS 17 N 1.60 -0.05 0.00 0.00 6.17 -0.74 -2.02 115.15 120.11 3c4r h HIS 17 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.13 3c4r h HIS 17 Cb 0.59 0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.64 3c4r h HIS 17 CO 0.00 -0.17 0.00 -0.35 0.71 0.00 0.00 177.93 178.12 3c4r n PRO 18 N -5.29 0.00 0.00 5.26 -0.04 -1.26 -4.48 135.00 129.19 3c4r n PRO 18 Ca 0.09 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 3c4r n PRO 18 Cb 0.36 -0.78 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 3c4r n PRO 18 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3c4r n ASP 19 N -1.34 0.61 0.00 3.54 9.92 -1.26 -5.01 116.55 123.02 3c4r n ASP 19 Ca 0.00 -1.85 0.00 0.00 -0.53 0.00 0.00 54.79 52.41 3c4r n ASP 19 Cb 0.00 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 3c4r n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3c4r n GLY 20 N 0.17 -2.54 0.15 0.44 0.00 -0.76 -4.52 105.19 98.13 3c4r n GLY 20 Ca 0.00 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.95 -3.35 114.58 115.97 3c4r h GLU 21 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 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 0.34 -0.03 0.87 -1.00 0.00 0.00 179.01 179.18 3c4r h LYS 22 N 0.00 0.00 0.09 2.33 1.57 -1.95 -2.42 116.57 116.19 3c4r h LYS 22 Ca -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3c4r h LYS 22 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3c4r h LYS 22 CO 0.04 0.03 -0.04 0.28 -0.57 0.00 0.00 179.45 179.20 3c4r h VAL 23 N 0.00 1.08 -0.76 0.50 2.07 -1.79 -0.75 116.25 116.59 3c4r h VAL 23 Ca -0.00 -1.41 0.03 0.00 0.82 0.00 0.00 66.70 66.14 3c4r h VAL 23 Cb 0.12 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 3c4r h VAL 23 CO 0.00 0.30 0.50 -0.65 0.02 0.00 0.00 177.57 177.75 3c4r h PRO 24 N -0.85 0.92 -0.38 1.57 0.11 -1.77 -0.22 132.00 131.37 3c4r h PRO 24 Ca -0.01 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 3c4r h PRO 24 Cb 0.59 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3c4r h PRO 24 CO 0.02 0.61 -0.05 0.00 -0.21 0.00 0.00 178.00 178.37 3c4r h ALA 25 N 1.55 0.52 -0.37 -0.75 0.00 -1.48 0.14 119.26 118.88 3c4r h ALA 25 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3c4r h ALA 25 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3c4r h ALA 25 CO -0.08 0.35 0.23 0.00 0.00 0.00 0.00 179.25 179.74 3c4r h ALA 26 N 0.85 0.46 0.18 0.00 0.00 -0.43 -0.87 119.26 119.46 3c4r h ALA 26 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3c4r h ALA 26 Cb 0.55 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3c4r h ALA 26 CO 0.03 -0.05 -0.09 0.93 0.00 0.00 0.00 179.25 180.07 3c4r h GLU 27 N 0.48 -0.23 -0.65 0.00 4.39 -0.89 -1.88 114.58 115.80 3c4r h GLU 27 Ca 0.13 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.94 3c4r h GLU 27 Cb -0.02 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.61 3c4r h GLU 27 CO -0.03 0.02 0.27 0.82 -1.16 0.00 0.00 179.01 178.93 3c4r h ILE 28 N -0.47 0.78 -0.29 3.13 2.04 -0.64 -0.58 117.51 121.49 3c4r h ILE 28 Ca -0.02 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 3c4r h ILE 28 Cb 0.36 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3c4r h ILE 28 CO 0.04 0.08 -0.06 0.74 0.00 0.00 0.00 178.15 178.95 3c4r h THR 29 N 0.47 1.21 0.78 -0.27 2.02 -1.11 0.23 112.91 116.24 3c4r h THR 29 Ca 0.33 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 3c4r h THR 29 Cb 0.39 1.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3c4r h THR 29 CO -0.30 0.29 -0.37 0.03 0.37 0.00 0.00 175.52 175.53 3c4r h ARG 30 N 0.44 -1.01 -0.00 6.66 2.47 -0.29 -2.24 114.38 120.41 3c4r h ARG 30 Ca 0.09 0.07 0.03 0.00 -1.26 0.00 0.00 59.98 58.91 3c4r h ARG 30 Cb 0.39 0.23 -0.05 0.00 -1.65 0.00 0.00 29.97 28.89 3c4r h ARG 30 CO 0.02 -0.66 -0.28 0.00 0.56 0.00 0.00 179.97 179.61 3c4r h ALA 31 N -0.90 -0.39 -0.96 0.04 0.00 -1.03 -0.04 119.26 115.99 3c4r h ALA 31 Ca -0.11 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3c4r h ALA 31 Cb 0.81 0.49 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 3c4r h ALA 31 CO 0.18 -0.78 -0.56 0.98 0.00 0.00 0.00 179.25 179.06 3c4r n TYR 32 N -5.39 -0.41 0.20 0.00 9.36 0.79 0.50 117.16 122.21 3c4r n TYR 32 Ca -0.05 1.20 0.07 0.00 3.32 0.00 0.00 57.90 62.44 3c4r n TYR 32 Cb 0.30 -0.58 0.43 0.00 -0.63 0.00 0.00 39.34 38.86 3c4r n TYR 32 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3c4r h PHE 33 N 0.00 0.00 -0.47 2.98 -1.00 -1.15 -2.14 116.94 115.16 3c4r h PHE 33 Ca 0.16 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.88 3c4r h PHE 33 Cb 0.40 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.94 3c4r h PHE 33 CO -0.99 0.32 0.07 0.93 -1.61 0.00 0.00 178.31 177.02 3c4r h GLU 34 N 0.00 0.72 -0.01 1.51 5.08 0.20 -2.21 114.58 119.88 3c4r h GLU 34 Ca -0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3c4r h GLU 34 Cb 0.72 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3c4r h GLU 34 CO 0.04 0.69 0.00 1.28 -1.00 0.00 0.00 179.01 180.02 3c4r n LEU 35 N -4.27 0.84 -2.39 1.33 4.77 0.93 -5.08 117.00 113.15 3c4r n LEU 35 Ca 0.03 -0.28 -0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3c4r n LEU 35 Cb 0.24 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3c4r n LEU 35 CO 0.40 0.14 -0.37 0.61 -1.33 0.00 0.00 177.39 176.84 3c4r n GLY 36 N 1.09 -3.98 0.00 -0.72 0.00 -0.84 -5.07 105.19 95.68 3c4r n GLY 36 Ca 0.21 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 0.56 0.00 -4.07 2.61 -2.24 -1.26 -5.05 114.28 104.83 3c4r n THR 38 Ca -0.02 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 3c4r n THR 38 Cb 0.03 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.09 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 0.86 1.11 4.78 5.36 -1.26 -3.50 117.98 125.34 3c4r s PHE 39 Ca 0.00 -0.28 -0.17 0.00 -0.96 0.00 0.00 56.93 55.52 3c4r s PHE 39 Cb 0.00 -0.79 0.25 0.00 -0.34 0.00 0.00 43.02 42.14 3c4r s PHE 39 CO 0.00 -0.26 1.13 -1.25 -1.46 0.00 0.00 175.22 173.38 3c4r s PRO 40 N 1.23 -0.51 -0.05 10.12 0.04 -1.26 -4.56 135.00 140.01 3c4r s PRO 40 Ca -0.06 0.02 -0.24 0.00 0.04 0.00 0.00 61.00 60.77 3c4r s PRO 40 Cb -0.14 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 3c4r s PRO 40 CO -0.02 -3.26 0.71 -1.83 0.04 0.00 0.00 177.00 172.64 3c4r s GLU 41 N -5.37 4.44 0.16 4.56 -1.05 -1.23 -5.05 118.70 115.16 3c4r s GLU 41 Ca 0.70 0.90 0.07 0.00 -0.15 0.00 0.00 54.97 56.48 3c4r s GLU 41 Cb -0.11 -3.43 -0.04 0.00 -0.44 0.00 0.00 34.13 30.10 3c4r s GLU 41 CO 0.56 0.10 -0.15 -0.51 0.95 0.00 0.00 175.26 176.21 3c4r s LEU 42 N 0.67 2.46 0.12 1.83 1.43 -1.26 -5.07 118.68 118.87 3c4r s LEU 42 Ca 0.38 -0.90 -0.24 0.00 -1.03 0.00 0.00 54.13 52.34 3c4r s LEU 42 Cb -0.18 -0.62 -0.07 0.00 0.03 0.00 0.00 46.19 45.35 3c4r s LEU 42 CO 0.19 -0.15 0.73 -0.31 0.23 0.00 0.00 176.35 177.04 3c4r s TYR 43 N -2.47 3.85 0.68 0.29 1.51 -1.26 -5.08 117.35 114.87 3c4r s TYR 43 Ca 0.15 1.52 -0.04 0.00 -1.01 0.00 0.00 57.07 57.69 3c4r s TYR 43 Cb -0.03 -2.73 0.07 0.00 -0.11 0.00 0.00 41.96 39.17 3c4r s TYR 43 CO 0.04 0.47 0.96 0.16 -1.11 0.00 0.00 175.55 176.08 3c4r s ASP 44 N -0.88 4.76 0.34 2.29 1.47 -1.26 -4.85 116.67 118.54 3c4r s ASP 44 Ca 0.35 0.16 0.18 0.00 1.18 0.00 0.00 52.55 54.41 3c4r s ASP 44 Cb -0.22 -0.79 0.97 0.00 -0.34 0.00 0.00 42.92 42.54 3c4r s ASP 44 CO 0.24 -1.58 1.49 0.44 0.68 0.00 0.00 175.17 176.44 3c4r h ASP 45 N -0.45 0.00 0.66 2.11 5.19 -1.98 0.40 116.42 122.35 3c4r h ASP 45 Ca -0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 3c4r h ASP 45 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 3c4r h ASP 45 CO 0.53 0.00 0.00 -0.24 -3.12 0.00 0.00 179.24 176.41 3c4r n SER 46 N -2.19 0.30 -4.78 6.45 2.88 -1.26 -4.70 113.62 110.32 3c4r n SER 46 Ca -0.01 0.57 -0.36 0.00 -1.33 0.00 0.00 58.87 57.73 3c4r n SER 46 Cb 0.20 -0.63 -0.07 0.00 -0.75 0.00 0.00 64.21 62.96 3c4r n SER 46 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3c4r s HIS 47 N -3.13 3.52 0.00 0.66 3.76 0.13 -5.04 115.29 115.19 3c4r s HIS 47 Ca 0.06 0.57 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 3c4r s HIS 47 Cb 0.10 -2.20 0.00 0.00 1.11 0.00 0.00 32.58 31.59 3c4r s HIS 47 CO 0.34 0.42 0.49 -0.35 -0.85 0.00 0.00 174.74 174.80 3c4r n PRO 48 N 2.96 0.00 -1.32 8.40 -0.04 -1.26 -1.98 135.00 141.76 3c4r n PRO 48 Ca -0.15 0.49 -0.18 0.00 -0.04 0.00 0.00 63.50 63.62 3c4r n PRO 48 Cb 0.53 -0.75 0.12 0.00 -0.04 0.00 0.00 33.50 33.36 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 -2.44 2.58 -0.11 0.54 4.07 -1.26 -4.90 120.64 119.11 3c4r n GLU 49 Ca 0.00 -3.50 -0.03 0.00 -0.06 0.00 0.00 57.16 53.57 3c4r n GLU 49 Cb 0.00 -2.08 -0.03 0.00 -0.06 0.00 0.00 31.44 29.27 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 -0.96 -0.17 -0.06 4.31 0.00 -0.84 -1.19 120.51 121.61 3c4r n ALA 50 Ca 0.45 0.22 -0.07 0.00 0.00 0.00 0.00 53.44 54.04 3c4r n ALA 50 Cb 0.97 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 20.41 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 -0.41 -0.62 0.00 5.85 -1.88 0.35 115.31 118.60 3c4r h LEU 51 Ca 0.04 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3c4r h LEU 51 Cb 0.11 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3c4r h LEU 51 CO -0.25 -0.16 0.40 0.00 -0.34 0.00 0.00 178.44 178.10 3c4r h ALA 52 N 1.11 0.78 -0.33 1.25 0.00 -1.57 0.15 119.26 120.65 3c4r h ALA 52 Ca 0.13 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3c4r h ALA 52 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3c4r h ALA 52 CO -0.31 0.22 -0.05 0.00 0.00 0.00 0.00 179.25 179.11 3c4r h ARG 53 N 0.84 0.63 0.00 0.00 3.08 -0.84 -1.84 114.38 116.24 3c4r h ARG 53 Ca 0.23 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3c4r h ARG 53 Cb -0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3c4r h ARG 53 CO -0.05 0.79 -0.20 -0.91 -1.07 0.00 0.00 179.97 178.53 3c4r h ASN 54 N 0.42 0.00 -0.17 7.04 2.35 -0.02 -1.40 115.58 123.80 3c4r h ASN 54 Ca 0.09 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 3c4r h ASN 54 Cb 0.54 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 3c4r h ASN 54 CO 0.03 0.20 -0.21 0.74 -1.65 0.00 0.00 177.43 176.54 3c4r h THR 55 N 0.00 1.34 -0.42 2.81 2.02 -0.39 -1.92 112.91 116.35 3c4r h THR 55 Ca -0.00 -1.40 -0.07 0.00 0.77 0.00 0.00 66.41 65.71 3c4r h THR 55 Cb 0.40 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 3c4r h THR 55 CO 0.03 0.42 -0.03 1.56 0.37 0.00 0.00 175.52 177.87 3c4r h GLN 56 N 0.09 0.77 0.70 6.66 4.20 -1.00 -2.37 115.11 124.15 3c4r h GLN 56 Ca 0.02 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 3c4r h GLN 56 Cb 0.76 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 3c4r h GLN 56 CO 0.05 0.85 -0.42 0.87 -0.67 0.00 0.00 178.83 179.51 3c4r h LYS 57 N 0.60 -1.02 -0.34 1.46 1.57 -1.29 -1.54 116.57 116.01 3c4r h LYS 57 Ca 0.12 0.07 0.07 0.00 -1.87 0.00 0.00 60.65 59.04 3c4r h LYS 57 Cb 0.53 0.23 -0.07 0.00 0.08 0.00 0.00 32.23 33.00 3c4r h LYS 57 CO 0.03 -0.68 -0.11 0.82 -0.57 0.00 0.00 179.45 178.94 3c4r h ILE 58 N -1.06 0.61 0.00 1.86 2.04 -1.36 -2.07 117.51 117.54 3c4r h ILE 58 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3c4r h ILE 58 Cb 0.85 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3c4r h ILE 58 CO 0.09 0.00 0.00 -0.26 0.00 0.00 0.00 178.15 177.98 3c4r h PHE 59 N -0.03 0.00 -0.12 1.37 -1.00 -1.45 -2.12 116.94 113.59 3c4r h PHE 59 Ca 0.17 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.91 3c4r h PHE 59 Cb 0.29 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 3c4r h PHE 59 CO -0.33 0.00 -0.06 -0.09 -1.61 0.00 0.00 178.31 176.22 3c4r h ARG 60 N 0.00 0.25 -0.84 1.51 2.43 -0.60 -1.11 114.38 116.02 3c4r h ARG 60 Ca 0.00 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3c4r h ARG 60 Cb 0.64 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 3c4r h ARG 60 CO 0.00 0.59 0.49 -1.49 -1.51 0.00 0.00 179.97 178.05 3c4r h TRP 61 N -0.10 1.12 -0.28 2.20 6.55 -1.18 0.78 115.95 125.05 3c4r h TRP 61 Ca 0.03 -0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.89 3c4r h TRP 61 Cb 0.51 -0.36 -0.04 0.00 -0.86 0.00 0.00 29.16 28.41 3c4r h TRP 61 CO 0.07 0.76 0.05 0.28 -1.05 0.00 0.00 178.44 178.54 3c4r h VAL 62 N 1.16 0.86 -0.17 1.49 2.07 -1.21 -3.12 116.25 117.34 3c4r h VAL 62 Ca 0.30 -0.05 -0.19 0.00 0.82 0.00 0.00 66.70 67.58 3c4r h VAL 62 Cb -0.02 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3c4r h VAL 62 CO -0.05 0.03 -0.63 -0.08 0.02 0.00 0.00 177.57 176.85 3c4r h GLU 63 N 0.15 0.72 -7.10 1.57 4.57 -0.75 -3.46 114.58 110.29 3c4r h GLU 63 Ca 0.13 -0.56 -0.40 0.00 -1.18 0.00 0.00 59.36 57.35 3c4r h GLU 63 Cb 0.14 0.10 0.21 0.00 -0.16 0.00 0.00 28.75 29.04 3c4r h GLU 63 CO -0.18 1.17 -0.06 0.15 -1.18 0.00 0.00 179.01 178.92 3c4r s LYS 64 N -3.82 -2.30 0.00 1.92 -0.14 0.23 -4.99 119.74 110.63 3c4r s LYS 64 Ca -0.11 0.28 0.00 0.00 -1.36 0.00 0.00 55.97 54.78 3c4r s LYS 64 Cb 0.08 -1.44 0.00 0.00 -1.68 0.00 0.00 37.83 34.79 3c4r s LYS 64 CO 0.88 -4.50 0.41 -3.47 -0.76 0.00 0.00 175.35 167.91 3c4r n ASP 65 N -5.38 0.00 -4.77 2.83 -0.08 -1.26 -4.88 116.55 103.00 3c4r n ASP 65 Ca 0.10 -1.04 -0.34 0.00 -1.51 0.00 0.00 54.79 52.00 3c4r n ASP 65 Cb 0.59 -0.01 0.01 0.00 2.34 0.00 0.00 41.12 44.05 3c4r n ASP 65 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3c4r s THR 66 N 0.00 3.19 0.55 5.18 -4.23 -1.26 -4.78 115.64 114.29 3c4r s THR 66 Ca 0.00 0.69 0.34 0.00 -1.18 0.00 0.00 61.69 61.54 3c4r s THR 66 Cb 0.00 -3.24 0.51 0.00 1.34 0.00 0.00 72.50 71.11 3c4r s THR 66 CO 0.00 -0.22 1.82 -0.65 -0.54 0.00 0.00 174.62 175.03 3c4r h PRO 67 N 0.86 0.00 0.44 3.99 0.11 -1.99 0.30 132.00 135.71 3c4r h PRO 67 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3c4r h PRO 67 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3c4r h PRO 67 CO 0.56 0.00 -0.21 0.22 -0.21 0.00 0.00 178.00 178.36 3c4r h ASP 68 N 0.00 -0.50 -0.15 -2.05 3.58 -1.99 -2.31 116.42 113.00 3c4r h ASP 68 Ca 0.48 -0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.88 3c4r h ASP 68 Cb 2.02 0.13 -0.07 0.00 1.72 0.00 0.00 39.33 43.13 3c4r h ASP 68 CO -0.01 -0.13 -0.40 0.00 -2.88 0.00 0.00 179.24 175.83 3c4r h ALA 69 N -0.58 -0.54 -1.00 -0.78 0.00 -1.30 -1.40 119.26 113.66 3c4r h ALA 69 Ca -0.06 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.07 3c4r h ALA 69 Cb 0.57 0.76 -0.11 0.00 0.00 0.00 0.00 17.79 19.01 3c4r h ALA 69 CO 0.10 -0.90 0.62 0.28 0.00 0.00 0.00 179.25 179.35 3c4r h VAL 70 N -0.46 0.63 -0.12 0.00 2.07 -1.40 -0.96 116.25 116.01 3c4r h VAL 70 Ca 0.08 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.24 3c4r h VAL 70 Cb 0.61 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3c4r h VAL 70 CO -0.40 0.12 -0.57 -0.08 0.02 0.00 0.00 177.57 176.65 3c4r h GLU 71 N 0.63 0.38 -0.05 1.57 4.81 -0.69 -2.12 114.58 119.12 3c4r h GLU 71 Ca 0.59 -0.25 -0.17 0.00 -0.13 0.00 0.00 59.36 59.40 3c4r h GLU 71 Cb 1.10 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.52 3c4r h GLU 71 CO -0.37 0.85 -0.63 0.87 -0.73 0.00 0.00 179.01 179.00 3c4r h LYS 72 N 0.29 0.51 -0.30 1.92 1.57 -0.41 -2.29 116.57 117.87 3c4r h LYS 72 Ca 0.00 -0.49 -0.11 0.00 -1.87 0.00 0.00 60.65 58.18 3c4r h LYS 72 Cb 1.09 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 3c4r h LYS 72 CO 0.10 1.12 -0.29 0.82 -0.57 0.00 0.00 179.45 180.63 3c4r h ILE 73 N 0.09 1.28 -0.62 1.86 1.08 -1.41 -1.27 117.51 118.51 3c4r h ILE 73 Ca -0.06 -1.39 -0.02 0.00 -0.39 0.00 0.00 64.86 63.00 3c4r h ILE 73 Cb 1.30 1.37 -0.03 0.00 -3.07 0.00 0.00 36.82 36.39 3c4r h ILE 73 CO 0.13 0.45 0.30 -0.61 -0.69 0.00 0.00 178.15 177.73 3c4r h GLN 74 N 0.52 0.87 0.00 2.37 5.75 -1.40 0.24 115.11 123.47 3c4r h GLN 74 Ca 0.07 -0.11 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 3c4r h GLN 74 Cb 0.77 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 3c4r h GLN 74 CO 0.06 0.67 -0.28 0.00 -2.65 0.00 0.00 178.83 176.63 3c4r h ALA 75 N 1.46 0.89 0.00 3.38 0.00 -0.93 -3.13 119.26 120.92 3c4r h ALA 75 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3c4r h ALA 75 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3c4r h ALA 75 CO -0.03 0.35 -0.40 1.25 0.00 0.00 0.00 179.25 180.42 3c4r h LEU 76 N 0.00 0.00 -0.98 0.00 5.85 0.15 -3.39 115.31 116.94 3c4r h LEU 76 Ca -0.00 -0.12 0.32 0.00 0.84 0.00 0.00 57.88 58.93 3c4r h LEU 76 Cb 1.01 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.87 3c4r h LEU 76 CO 0.04 0.06 0.25 -0.07 -0.34 0.00 0.00 178.44 178.38 3c4r h LEU 77 N 0.00 -0.11 -0.89 2.25 3.38 -1.03 0.13 115.31 119.04 3c4r h LEU 77 Ca 0.00 0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3c4r h LEU 77 Cb 0.78 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 3c4r h LEU 77 CO 0.00 -0.36 0.55 -0.65 0.09 0.00 0.00 178.44 178.07 3c4r h PRO 78 N 0.04 1.21 -0.03 1.13 0.11 -1.84 0.42 132.00 133.03 3c4r h PRO 78 Ca 0.69 -0.10 -0.15 0.00 0.11 0.00 0.00 66.00 66.55 3c4r h PRO 78 Cb 1.61 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.44 3c4r h PRO 78 CO -0.83 0.84 -0.65 0.00 -0.21 0.00 0.00 178.00 177.15 3c4r h ALA 79 N 1.30 0.86 0.17 -0.75 0.00 -1.10 -2.39 119.26 117.35 3c4r h ALA 79 Ca 0.32 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3c4r h ALA 79 Cb -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3c4r h ALA 79 CO -0.06 0.78 -0.08 0.82 0.00 0.00 0.00 179.25 180.71 3c4r h ILE 80 N 0.09 0.96 0.00 0.00 2.04 -0.47 -2.88 117.51 117.25 3c4r h ILE 80 Ca -0.01 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3c4r h ILE 80 Cb 1.16 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3c4r h ILE 80 CO 0.09 0.18 -0.07 -0.33 0.00 0.00 0.00 178.15 178.03 3c4r h GLU 81 N -0.64 0.00 -0.00 2.37 5.08 -0.20 -0.73 114.58 120.46 3c4r h GLU 81 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3c4r h GLU 81 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3c4r h GLU 81 CO 0.04 0.07 -0.27 1.17 -1.00 0.00 0.00 179.01 179.02 3c4r n LYS 82 N -4.08 0.37 -0.51 2.33 4.81 -0.90 -5.00 118.16 115.18 3c4r n LYS 82 Ca -0.03 -0.17 0.06 0.00 -0.87 0.00 0.00 58.31 57.31 3c4r n LYS 82 Cb 0.15 -1.50 0.25 0.00 0.02 0.00 0.00 35.03 33.96 3c4r n LYS 82 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3c4r n SER 83 N -1.17 3.74 -4.62 3.14 7.64 -0.28 -5.02 113.62 117.05 3c4r n SER 83 Ca 0.10 -3.13 -0.38 0.00 1.01 0.00 0.00 58.87 56.47 3c4r n SER 83 Cb 0.32 -0.57 -0.10 0.00 -1.01 0.00 0.00 64.21 62.86 3c4r n SER 83 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3c4r s PRO 85 N -2.89 4.03 0.25 1.43 0.02 -1.26 -4.95 135.00 131.62 3c4r s PRO 85 Ca 0.43 -0.14 0.05 0.00 0.02 0.00 0.00 61.00 61.36 3c4r s PRO 85 Cb 0.35 -3.61 0.70 0.00 0.02 0.00 0.00 34.50 31.97 3c4r s PRO 85 CO 0.08 -0.13 1.21 -2.30 -0.33 0.00 0.00 177.00 175.54 3c4r n PRO 86 N 4.86 -0.06 -0.14 5.54 -0.02 -1.26 0.28 135.00 144.20 3c4r n PRO 86 Ca -0.12 1.14 -0.08 0.00 -2.02 0.00 0.00 63.50 62.42 3c4r n PRO 86 Cb 0.52 -1.86 0.01 0.00 -0.02 0.00 0.00 33.50 32.15 3c4r n PRO 86 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3c4r h LEU 87 N 0.00 0.49 -0.45 2.45 6.46 -2.03 0.11 115.31 122.35 3c4r h LEU 87 Ca 0.52 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 58.20 3c4r h LEU 87 Cb 1.16 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 3c4r h LEU 87 CO -0.69 0.36 0.02 -0.07 -0.62 0.00 0.00 178.44 177.43 3c4r h LEU 88 N 0.59 0.76 -0.82 2.25 3.38 -0.60 -0.83 115.31 120.03 3c4r h LEU 88 Ca 0.16 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3c4r h LEU 88 Cb -0.06 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 3c4r h LEU 88 CO -0.04 0.87 0.51 0.58 0.09 0.00 0.00 178.44 180.45 3c4r h VAL 89 N 0.62 1.06 -0.69 1.22 2.07 -0.92 -2.02 116.25 117.59 3c4r h VAL 89 Ca 0.13 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3c4r h VAL 89 Cb 0.47 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3c4r h VAL 89 CO 0.02 0.17 0.29 0.00 0.02 0.00 0.00 177.57 178.07 3c4r h ALA 90 N 1.38 0.90 0.00 1.67 0.00 -0.35 -2.35 119.26 120.50 3c4r h ALA 90 Ca 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3c4r h ALA 90 Cb 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3c4r h ALA 90 CO -0.16 0.51 0.00 0.54 0.00 0.00 0.00 179.25 180.14 3c4r n ARG 91 N -4.39 0.37 0.00 0.00 1.74 -0.36 -1.92 116.66 112.10 3c4r n ARG 91 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3c4r n ARG 91 Cb 0.17 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3c4r n ARG 91 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3c4r n ARG 93 N 1.00 0.00 0.00 5.56 1.74 -0.89 -4.28 116.66 119.80 3c4r n ARG 93 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 3c4r n ARG 93 Cb 0.19 0.00 0.36 0.00 -1.02 0.00 0.00 32.46 31.99 3c4r n ARG 93 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3c4r n SER 94 N 0.00 0.00 -0.03 0.55 3.41 -0.81 -1.15 113.62 115.59 3c4r n SER 94 Ca 0.00 -0.21 -0.15 0.00 -0.26 0.00 0.00 58.87 58.26 3c4r n SER 94 Cb 0.00 -0.11 -0.14 0.00 -0.26 0.00 0.00 64.21 63.70 3c4r n SER 94 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3c4r n HIS 95 N -1.11 0.93 0.04 7.33 8.25 -1.26 -4.25 115.22 125.15 3c4r n HIS 95 Ca 0.08 0.26 0.08 0.00 -0.26 0.00 0.00 57.72 57.88 3c4r n HIS 95 Cb 0.07 -1.14 0.17 0.00 1.12 0.00 0.00 29.99 30.20 3c4r n HIS 95 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3c4r n SER 96 N -3.21 3.02 -3.71 0.41 3.41 -0.88 -4.95 113.62 107.71 3c4r n SER 96 Ca -0.27 -1.89 -0.11 0.00 -0.26 0.00 0.00 58.87 56.34 3c4r n SER 96 Cb 1.06 -0.23 -0.12 0.00 -0.26 0.00 0.00 64.21 64.66 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 -1.11 -0.43 0.32 4.04 0.15 -0.30 -5.03 113.70 111.34 3c4r s SER 97 Ca 0.29 0.77 0.15 0.00 0.70 0.00 0.00 55.95 57.86 3c4r s SER 97 Cb 0.16 0.65 0.50 0.00 -1.71 0.00 0.00 66.02 65.62 3c4r s SER 97 CO 0.22 -0.18 1.66 0.00 1.20 0.00 0.00 173.24 176.13 3c4r h ALA 98 N 7.16 0.95 0.78 5.45 0.00 -1.86 -2.61 119.26 129.13 3c4r h ALA 98 Ca -0.38 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.04 3c4r h ALA 98 Cb 1.17 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.89 3c4r h ALA 98 CO 0.32 0.62 -0.38 -0.92 0.00 0.00 0.00 179.25 178.89 3c4r h TYR 99 N 0.00 -0.98 0.00 0.00 3.20 -1.95 -1.80 116.97 115.44 3c4r h TYR 99 Ca -0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3c4r h TYR 99 Cb 1.02 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.62 3c4r h TYR 99 CO 0.00 -0.59 -0.03 0.74 -1.64 0.00 0.00 178.16 176.63 3c4r h PHE 100 N -1.17 0.00 -0.25 -3.82 0.04 -1.86 -1.40 116.94 108.48 3c4r h PHE 100 Ca -0.11 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.52 3c4r h PHE 100 Cb 0.82 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 3c4r h PHE 100 CO -0.01 0.03 -0.43 -0.09 -0.60 0.00 0.00 178.31 177.22 3c4r h ARG 101 N 0.00 0.62 -0.01 1.51 2.43 -1.21 -2.21 114.38 115.50 3c4r h ARG 101 Ca -0.00 -0.33 -0.16 0.00 -0.81 0.00 0.00 59.98 58.68 3c4r h ARG 101 Cb 0.07 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3c4r h ARG 101 CO 0.00 0.93 -0.74 0.93 -1.51 0.00 0.00 179.97 179.58 3c4r h GLU 102 N 0.50 0.09 -0.40 0.20 5.08 -0.41 -2.14 114.58 117.50 3c4r h GLU 102 Ca 0.04 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 3c4r h GLU 102 Cb 0.95 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3c4r h GLU 102 CO 0.09 0.79 -0.13 1.25 -1.00 0.00 0.00 179.01 180.00 3c4r h LEU 103 N 0.06 0.80 -0.60 1.33 5.85 -1.15 -0.80 115.31 120.79 3c4r h LEU 103 Ca -0.02 -0.38 -0.15 0.00 0.84 0.00 0.00 57.88 58.17 3c4r h LEU 103 Cb 1.30 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3c4r h LEU 103 CO 0.10 1.00 -0.64 0.58 -0.34 0.00 0.00 178.44 179.14 3c4r h VAL 104 N 0.60 1.40 -0.11 1.05 2.07 -1.37 -2.38 116.25 117.51 3c4r h VAL 104 Ca 0.10 -2.05 -0.16 0.00 0.82 0.00 0.00 66.70 65.41 3c4r h VAL 104 Cb 0.66 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 3c4r h VAL 104 CO 0.05 0.61 -0.62 -0.33 0.02 0.00 0.00 177.57 177.29 3c4r h GLU 105 N 0.18 0.37 -0.03 1.57 5.08 -1.26 -1.87 114.58 118.62 3c4r h GLU 105 Ca -0.01 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3c4r h GLU 105 Cb 1.16 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 3c4r h GLU 105 CO 0.10 0.87 -0.05 1.15 -1.00 0.00 0.00 179.01 180.09 3c4r h THR 106 N 0.28 1.43 -0.98 1.13 2.02 -1.07 -1.78 112.91 113.93 3c4r h THR 106 Ca -0.01 -1.33 0.06 0.00 0.77 0.00 0.00 66.41 65.90 3c4r h THR 106 Cb 1.15 2.26 -0.07 0.00 -1.74 0.00 0.00 68.15 69.75 3c4r h THR 106 CO 0.10 0.36 0.63 0.08 0.37 0.00 0.00 175.52 177.06 3c4r h ARG 107 N -0.44 1.11 -0.20 6.66 -0.00 -1.44 0.09 114.38 120.17 3c4r h ARG 107 Ca 0.00 -0.07 -0.12 0.00 -0.00 0.00 0.00 59.98 59.79 3c4r h ARG 107 Cb 0.60 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.97 30.31 3c4r h ARG 107 CO 0.01 0.73 -0.40 0.93 -0.00 0.00 0.00 179.97 181.25 3c4r h GLU 108 N 1.14 0.45 -0.34 0.08 4.39 -1.30 -0.48 114.58 118.53 3c4r h GLU 108 Ca 0.42 -0.22 -0.09 0.00 0.34 0.00 0.00 59.36 59.81 3c4r h GLU 108 Cb 0.16 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3c4r h GLU 108 CO -0.17 0.77 -0.19 -0.09 -1.16 0.00 0.00 179.01 178.18 3c4r h ARG 109 N 0.37 0.62 -0.34 2.33 2.43 -0.36 -1.82 114.38 117.62 3c4r h ARG 109 Ca 0.03 -0.22 -0.13 0.00 -0.81 0.00 0.00 59.98 58.86 3c4r h ARG 109 Cb 0.86 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 3c4r h ARG 109 CO 0.07 0.77 -0.28 1.25 -1.51 0.00 0.00 179.97 180.28 3c4r h LEU 110 N 0.56 0.83 -1.04 3.80 6.46 -0.47 -2.26 115.31 123.19 3c4r h LEU 110 Ca 0.09 -0.45 -0.07 0.00 -0.12 0.00 0.00 57.88 57.33 3c4r h LEU 110 Cb 0.63 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 3c4r h LEU 110 CO 0.04 1.11 -0.03 0.58 -0.62 0.00 0.00 178.44 179.52 3c4r h VAL 111 N 0.56 1.23 -0.23 1.05 2.07 -0.80 -1.00 116.25 119.13 3c4r h VAL 111 Ca 0.06 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 3c4r h VAL 111 Cb 0.85 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3c4r h VAL 111 CO 0.07 0.33 0.08 0.03 0.02 0.00 0.00 177.57 178.10 3c4r h ARG 112 N 0.61 0.34 -0.10 1.57 3.08 -1.24 -1.47 114.38 117.17 3c4r h ARG 112 Ca 0.12 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3c4r h ARG 112 Cb 0.43 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3c4r h ARG 112 CO 0.02 0.41 -0.11 -0.44 -1.07 0.00 0.00 179.97 178.78 3c4r h ASP 113 N 0.20 0.14 -0.45 7.04 3.32 -1.13 0.37 116.42 125.91 3c4r h ASP 113 Ca 0.07 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 3c4r h ASP 113 Cb 0.20 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3c4r h ASP 113 CO -0.00 0.28 -0.14 0.00 -1.72 0.00 0.00 179.24 177.65 3c4r h ALA 114 N 1.74 0.83 0.00 3.45 0.00 -0.87 -1.89 119.26 122.52 3c4r h ALA 114 Ca 0.03 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3c4r h ALA 114 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3c4r h ALA 114 CO 0.02 0.65 -0.32 -0.44 0.00 0.00 0.00 179.25 179.16 3c4r h ASP 115 N 0.83 0.00 0.96 0.00 3.32 -0.09 -2.35 116.42 119.10 3c4r h ASP 115 Ca 0.13 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3c4r h ASP 115 Cb 0.68 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3c4r h ASP 115 CO 0.05 0.32 -0.38 0.44 -1.72 0.00 0.00 179.24 177.95 3c4r h ASP 116 N 0.00 0.00 -0.03 6.45 3.32 -0.05 -2.03 116.42 124.08 3c4r h ASP 116 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3c4r h ASP 116 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3c4r h ASP 116 CO 0.04 0.38 -0.17 0.15 -1.72 0.00 0.00 179.24 177.92 3c4r h PHE 117 N 0.00 0.23 -0.94 4.55 3.57 -1.02 -1.72 116.94 121.61 3c4r h PHE 117 Ca -0.00 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.48 3c4r h PHE 117 Cb 0.96 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.60 3c4r h PHE 117 CO 0.00 0.81 0.61 0.28 -2.23 0.00 0.00 178.31 177.78 3c4r h VAL 118 N -0.42 1.02 0.47 1.41 2.07 -1.35 0.19 116.25 119.64 3c4r h VAL 118 Ca -0.01 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3c4r h VAL 118 Cb 0.84 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3c4r h VAL 118 CO 0.03 0.19 -0.23 0.00 0.02 0.00 0.00 177.57 177.58 3c4r h ALA 119 N 1.52 -0.63 -0.65 1.67 0.00 -1.27 0.16 119.26 120.05 3c4r h ALA 119 Ca 0.43 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3c4r h ALA 119 Cb 0.31 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3c4r h ALA 119 CO -0.18 -0.74 0.43 -0.24 0.00 0.00 0.00 179.25 178.51 3c4r h VAL 120 N -0.85 1.14 -0.29 0.00 3.04 -1.10 -0.80 116.25 117.39 3c4r h VAL 120 Ca -0.06 -0.29 -0.12 0.00 -1.01 0.00 0.00 66.70 65.21 3c4r h VAL 120 Cb 0.57 0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 3c4r h VAL 120 CO 0.11 0.15 -0.32 0.00 -1.01 0.00 0.00 177.57 176.50 3c4r h ALA 121 N 1.60 0.89 0.50 3.17 0.00 -0.46 -3.28 119.26 121.68 3c4r h ALA 121 Ca 0.24 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3c4r h ALA 121 Cb -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3c4r h ALA 121 CO -0.06 0.63 -0.24 0.82 0.00 0.00 0.00 179.25 180.40 3c4r h ILE 122 N 0.53 0.25 -3.95 0.00 2.04 0.13 -3.22 117.51 113.30 3c4r h ILE 122 Ca 0.06 -0.49 -0.51 0.00 1.00 0.00 0.00 64.86 64.92 3c4r h ILE 122 Cb 0.82 0.37 0.06 0.00 -0.74 0.00 0.00 36.82 37.32 3c4r h ILE 122 CO 0.07 0.05 0.52 0.00 0.00 0.00 0.00 178.15 178.78 3c4r s ALA 123 N -4.64 3.15 0.00 1.87 0.00 -0.41 -0.96 121.76 120.77 3c4r s ALA 123 Ca -0.13 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3c4r s ALA 123 Cb 0.01 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3c4r s ALA 123 CO 0.42 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.01 3c4r n GLY 124 N 0.62 2.72 0.09 0.00 0.00 -1.26 -4.65 105.19 102.70 3c4r n GLY 124 Ca 0.05 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 3c4r n GLY 124 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3c4r n PHE 125 N 0.00 0.90 0.23 1.61 7.35 -0.13 -3.44 117.46 123.97 3c4r n PHE 125 Ca 0.00 0.31 0.12 0.00 -0.76 0.00 0.00 57.45 57.12 3c4r n PHE 125 Cb 0.00 -1.16 0.36 0.00 0.35 0.00 0.00 39.48 39.03 3c4r n PHE 125 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 3c4r h ASN 126 N 0.00 0.00 -0.02 -2.13 2.35 -1.70 -3.52 115.58 110.57 3c4r h ASN 126 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3c4r h ASN 126 Cb 2.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.41 3c4r h ASN 126 CO 0.07 0.11 0.00 1.67 -1.65 0.00 0.00 177.43 177.63