#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c2r s ASP 2 N 0.00 5.76 0.25 1.61 3.68 -1.26 -4.88 116.67 121.83 1c2r s ASP 2 Ca 0.00 -0.59 0.05 0.00 2.13 0.00 0.00 52.55 54.14 1c2r s ASP 2 Cb 0.00 -2.05 0.30 0.00 -1.45 0.00 0.00 42.92 39.72 1c2r s ASP 2 CO 0.00 -0.25 1.60 0.00 0.13 0.00 0.00 175.17 176.65 1c2r h ALA 3 N 8.42 0.92 -0.67 3.66 0.00 -1.85 -1.18 119.26 128.56 1c2r h ALA 3 Ca -0.31 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.04 1c2r h ALA 3 Cb 1.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1c2r h ALA 3 CO 0.64 0.69 0.17 0.00 0.00 0.00 0.00 179.25 180.75 1c2r h ALA 4 N 1.24 1.04 -0.01 0.00 0.00 -1.94 -0.54 119.26 119.05 1c2r h ALA 4 Ca 0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 1c2r h ALA 4 Cb 1.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1c2r h ALA 4 CO 0.09 0.63 -0.90 1.57 0.00 0.00 0.00 179.25 180.64 1c2r h LYS 5 N 1.00 0.36 -0.58 0.00 2.10 -1.88 -3.27 116.57 114.29 1c2r h LYS 5 Ca 0.21 -0.37 -0.03 0.00 -2.00 0.00 0.00 60.65 58.46 1c2r h LYS 5 Cb 0.34 0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 31.74 1c2r h LYS 5 CO -0.00 1.05 0.25 0.78 -2.00 0.00 0.00 179.45 179.53 1c2r h GLY 6 N 1.39 0.91 1.17 0.07 0.00 -0.84 -1.99 103.07 103.78 1c2r h GLY 6 Ca -0.06 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 46.81 1c2r h GLY 6 CO 0.15 0.45 0.50 -2.09 0.00 0.00 0.00 176.54 175.56 1c2r h GLU 7 N 0.79 0.93 -0.14 4.80 4.81 -1.16 -0.86 114.58 123.75 1c2r h GLU 7 Ca 0.19 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.23 1c2r h GLU 7 Cb 0.17 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1c2r h GLU 7 CO -0.02 0.62 -0.52 0.87 -0.73 0.00 0.00 179.01 179.23 1c2r h LYS 8 N 0.96 0.41 0.00 1.92 1.57 -1.55 -3.16 116.57 116.72 1c2r h LYS 8 Ca 0.30 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1c2r h LYS 8 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1c2r h LYS 8 CO -0.08 0.83 -0.39 0.93 -0.57 0.00 0.00 179.45 180.17 1c2r h GLU 9 N 0.32 0.00 0.00 3.15 4.39 -1.01 -3.26 114.58 118.17 1c2r h GLU 9 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1c2r h GLU 9 Cb 1.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1c2r h GLU 9 CO 0.09 0.39 0.00 0.34 -1.16 0.00 0.00 179.01 178.67 1c2r n PHE 10 N -3.24 0.00 0.29 4.33 7.35 -0.36 -2.03 117.46 123.79 1c2r n PHE 10 Ca 0.02 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.86 1c2r n PHE 10 Cb 0.65 -0.35 0.89 0.00 0.35 0.00 0.00 39.48 41.03 1c2r n PHE 10 CO 0.00 0.00 0.00 -2.95 -0.76 0.00 0.00 176.76 173.05 1c2r h ASN 11 N 0.00 0.00 0.90 -2.13 -0.00 -1.76 0.11 115.58 112.70 1c2r h ASN 11 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1c2r h ASN 11 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.33 1c2r h ASN 11 CO 0.00 0.02 -0.33 0.29 -0.00 0.00 0.00 177.43 177.41 1c2r n LYS 12 N -3.81 0.13 -0.09 4.14 5.02 -0.86 -4.07 118.16 118.62 1c2r n LYS 12 Ca -0.03 0.06 -0.09 0.00 -2.02 0.00 0.00 58.31 56.23 1c2r n LYS 12 Cb 0.10 -1.61 -0.14 0.00 -0.02 0.00 0.00 35.03 33.36 1c2r n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2r h LYS 14 N 0.00 0.00 0.00 0.00 2.10 -1.34 -0.30 116.57 117.04 1c2r h LYS 14 Ca -0.50 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.13 1c2r h LYS 14 Cb 2.12 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.44 1c2r h LYS 14 CO 0.02 0.00 -0.09 1.15 -2.00 0.00 0.00 179.45 178.53 1c2r h THR 15 N 0.00 0.73 0.00 0.07 2.02 -1.79 -1.95 112.91 111.99 1c2r h THR 15 Ca 0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1c2r h THR 15 Cb 0.24 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1c2r h THR 15 CO 0.00 0.09 -0.67 0.00 0.37 0.00 0.00 175.52 175.31 1c2r s HIS 17 N -1.57 2.57 0.17 0.00 3.76 -0.35 -0.52 115.29 119.36 1c2r s HIS 17 Ca 0.00 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.55 1c2r s HIS 17 Cb 0.00 -1.42 -0.05 0.00 1.11 0.00 0.00 32.58 32.23 1c2r s HIS 17 CO 0.00 0.50 -0.03 -1.12 -0.85 0.00 0.00 174.74 173.25 1c2r s SER 18 N -3.71 1.41 -0.30 1.40 0.01 -1.19 -3.03 113.70 108.28 1c2r s SER 18 Ca 0.34 -1.13 0.02 0.00 1.31 0.00 0.00 55.95 56.50 1c2r s SER 18 Cb -0.02 0.07 0.09 0.00 0.21 0.00 0.00 66.02 66.37 1c2r s SER 18 CO 0.20 -0.50 0.02 -0.63 0.41 0.00 0.00 173.24 172.74 1c2r s ILE 19 N -3.55 1.79 -0.12 1.44 1.01 0.79 -1.52 121.20 121.03 1c2r s ILE 19 Ca 0.21 -1.81 0.01 0.00 0.00 0.00 0.00 60.65 59.07 1c2r s ILE 19 Cb 0.05 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.32 1c2r s ILE 19 CO 0.03 -0.45 -0.14 -0.63 0.00 0.00 0.00 174.94 173.75 1c2r s ILE 20 N 1.19 1.46 0.65 2.92 1.01 -1.26 -0.23 121.20 126.94 1c2r s ILE 20 Ca 0.05 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 1c2r s ILE 20 Cb -0.19 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 1c2r s ILE 20 CO -0.11 0.44 1.05 0.00 0.00 0.00 0.00 174.94 176.31 1c2r s ALA 21 N 1.18 2.78 0.57 9.38 0.00 -0.41 -4.61 121.76 130.65 1c2r s ALA 21 Ca -0.03 0.12 0.29 0.00 0.00 0.00 0.00 51.96 52.34 1c2r s ALA 21 Cb -0.14 -3.17 1.48 0.00 0.00 0.00 0.00 23.12 21.29 1c2r s ALA 21 CO -0.05 -1.01 1.93 -1.35 0.00 0.00 0.00 175.76 175.29 1c2r h PRO 22 N -0.35 0.00 -0.34 0.00 0.11 -1.99 0.29 132.00 129.72 1c2r h PRO 22 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1c2r h PRO 22 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1c2r h PRO 22 CO 0.58 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 1c2r n ASP 23 N -3.90 2.18 0.00 -2.05 5.68 -1.26 -4.90 116.55 112.30 1c2r n ASP 23 Ca 0.09 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 1c2r n ASP 23 Cb 0.66 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1c2r n ASP 23 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c2r n GLY 24 N 1.19 0.68 3.70 6.12 0.00 0.10 -5.04 105.19 111.94 1c2r n GLY 24 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1c2r n GLY 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1c2r n THR 25 N -2.00 0.24 -2.90 2.61 -1.04 -1.24 -4.71 114.28 105.24 1c2r n THR 25 Ca 0.00 -0.06 -0.44 0.00 -2.04 0.00 0.00 64.05 61.51 1c2r n THR 25 Cb 0.00 -1.76 -0.03 0.00 -1.82 0.00 0.00 70.33 66.72 1c2r n THR 25 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1c2r s GLU 26 N 0.67 3.52 0.10 -2.82 2.02 -1.26 -1.28 118.70 119.65 1c2r s GLU 26 Ca 0.74 -1.59 -0.15 0.00 0.02 0.00 0.00 54.97 53.99 1c2r s GLU 26 Cb -0.58 -4.84 -0.07 0.00 0.10 0.00 0.00 34.13 28.74 1c2r s GLU 26 CO 0.38 -1.80 1.46 0.82 0.02 0.00 0.00 175.26 176.14 1c2r h ILE 27 N 5.91 1.29 -3.25 -1.63 2.04 -0.96 -3.41 117.51 117.51 1c2r h ILE 27 Ca 0.09 -1.30 -0.40 0.00 1.00 0.00 0.00 64.86 64.25 1c2r h ILE 27 Cb 1.03 1.46 -0.39 0.00 -0.74 0.00 0.00 36.82 38.18 1c2r h ILE 27 CO 1.14 0.42 -0.75 -0.69 0.00 0.00 0.00 178.15 178.27 1c2r s VAL 28 N -4.55 -0.00 -0.45 1.67 1.01 -0.44 -4.93 120.40 112.70 1c2r s VAL 28 Ca -0.13 0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 1c2r s VAL 28 Cb 0.09 -0.32 0.04 0.00 0.00 0.00 0.00 36.38 36.19 1c2r s VAL 28 CO 0.81 0.10 0.50 -0.75 0.00 0.00 0.00 175.10 175.77 1c2r s LYS 29 N 2.12 3.10 0.00 2.72 2.20 -1.26 -0.15 119.74 128.47 1c2r s LYS 29 Ca 0.04 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 1c2r s LYS 29 Cb -0.13 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 1c2r s LYS 29 CO -0.05 -1.00 0.00 0.41 -0.36 0.00 0.00 175.35 174.35 1c2r n GLY 30 N 5.14 5.48 3.93 5.54 0.00 -1.26 -5.00 105.19 119.03 1c2r n GLY 30 Ca -0.07 -1.54 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 1c2r n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2r s ALA 31 N -2.00 2.96 -0.14 4.61 0.00 -0.73 -4.76 121.76 121.70 1c2r s ALA 31 Ca 0.00 -1.01 0.16 0.00 0.00 0.00 0.00 51.96 51.12 1c2r s ALA 31 Cb 0.00 -2.64 0.29 0.00 0.00 0.00 0.00 23.12 20.77 1c2r s ALA 31 CO 0.00 -1.58 1.17 1.63 0.00 0.00 0.00 175.76 176.98 1c2r n LYS 32 N -3.13 1.73 0.09 0.00 5.02 -1.23 -3.20 118.16 117.43 1c2r n LYS 32 Ca 0.10 -2.48 0.12 0.00 -2.02 0.00 0.00 58.31 54.03 1c2r n LYS 32 Cb 0.60 -1.49 0.11 0.00 -0.02 0.00 0.00 35.03 34.24 1c2r n LYS 32 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1c2r h THR 33 N 0.28 0.00 -2.60 -0.18 1.35 -1.83 -3.45 112.91 106.48 1c2r h THR 33 Ca 0.00 -0.71 -0.60 0.00 -0.55 0.00 0.00 66.41 64.55 1c2r h THR 33 Cb 1.00 1.30 -0.12 0.00 -1.73 0.00 0.00 68.15 68.59 1c2r h THR 33 CO 0.03 0.00 -0.70 -0.83 -0.25 0.00 0.00 175.52 173.77 1c2r s GLY 34 N -3.95 1.72 0.78 5.82 0.00 0.32 -5.02 107.32 106.99 1c2r s GLY 34 Ca 0.04 -1.60 -0.11 0.00 0.00 0.00 0.00 44.72 43.06 1c2r s GLY 34 CO 0.74 -1.64 1.09 2.56 0.00 0.00 0.00 173.10 175.85 1c2r s PRO 35 N -3.23 2.23 0.20 2.90 0.04 -1.26 -4.62 135.00 131.26 1c2r s PRO 35 Ca 0.28 1.12 -0.33 0.00 0.04 0.00 0.00 61.00 62.11 1c2r s PRO 35 Cb -0.07 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.44 1c2r s PRO 35 CO 0.17 -1.65 1.66 -1.71 0.04 0.00 0.00 177.00 175.51 1c2r n ASN 36 N -3.52 3.67 -0.72 6.66 2.85 -1.26 -4.44 115.26 118.49 1c2r n ASN 36 Ca 0.09 1.07 0.12 0.00 -0.11 0.00 0.00 54.58 55.75 1c2r n ASN 36 Cb 0.53 -1.52 0.16 0.00 1.24 0.00 0.00 39.78 40.19 1c2r n ASN 36 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1c2r n LEU 37 N 3.66 2.38 -4.69 1.20 4.77 -0.57 -4.82 117.00 118.93 1c2r n LEU 37 Ca 0.16 -0.81 -0.44 0.00 -0.03 0.00 0.00 56.01 54.89 1c2r n LEU 37 Cb 0.33 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1c2r n LEU 37 CO 0.64 0.41 1.39 0.00 -1.33 0.00 0.00 177.39 178.49 1c2r n TYR 38 N 0.69 2.55 -1.13 -1.77 4.19 -1.26 -2.20 117.16 118.22 1c2r n TYR 38 Ca 0.14 0.01 -0.04 0.00 3.31 0.00 0.00 57.90 61.31 1c2r n TYR 38 Cb 0.51 -2.67 -0.02 0.00 0.49 0.00 0.00 39.34 37.66 1c2r n TYR 38 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1c2r n GLY 39 N 3.99 0.68 0.25 2.98 0.00 -1.26 -4.93 105.19 106.91 1c2r n GLY 39 Ca 0.18 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.85 1c2r n GLY 39 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c2r h VAL 40 N 0.00 1.16 -2.81 1.61 3.04 -1.76 -3.35 116.25 114.14 1c2r h VAL 40 Ca -0.09 -0.69 -0.57 0.00 -1.01 0.00 0.00 66.70 64.35 1c2r h VAL 40 Cb 0.45 1.09 -0.04 0.00 -2.01 0.00 0.00 31.29 30.79 1c2r h VAL 40 CO 0.13 0.22 1.21 -0.69 -1.01 0.00 0.00 177.57 177.43 1c2r s VAL 41 N -4.85 3.61 0.00 1.51 1.01 -1.26 -1.57 120.40 118.85 1c2r s VAL 41 Ca -0.06 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1c2r s VAL 41 Cb 0.16 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1c2r s VAL 41 CO 0.73 -0.60 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1c2r n GLY 42 N 5.33 0.96 3.83 4.51 0.00 0.64 -4.97 105.19 115.49 1c2r n GLY 42 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1c2r n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c2r s ARG 43 N -0.42 4.00 0.20 1.61 3.52 -0.61 -4.70 118.95 122.55 1c2r s ARG 43 Ca 0.00 0.50 -0.31 0.00 -0.13 0.00 0.00 55.73 55.80 1c2r s ARG 43 Cb 0.00 -3.17 -0.10 0.00 -1.56 0.00 0.00 34.95 30.12 1c2r s ARG 43 CO 0.00 0.64 1.47 0.99 -0.81 0.00 0.00 175.30 177.59 1c2r s THR 44 N -1.16 2.77 0.48 4.11 2.01 -1.26 -1.09 115.64 121.50 1c2r s THR 44 Ca 0.28 0.60 -0.24 0.00 0.31 0.00 0.00 61.69 62.64 1c2r s THR 44 Cb -0.17 -3.38 -0.07 0.00 0.01 0.00 0.00 72.50 68.88 1c2r s THR 44 CO 0.16 0.07 1.40 0.00 -0.69 0.00 0.00 174.62 175.56 1c2r s ALA 45 N 0.56 3.11 -1.31 7.40 0.00 0.20 -3.55 121.76 128.17 1c2r s ALA 45 Ca 0.64 1.41 -0.05 0.00 0.00 0.00 0.00 51.96 53.95 1c2r s ALA 45 Cb -0.41 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.14 1c2r s ALA 45 CO 0.37 -1.22 1.03 0.41 0.00 0.00 0.00 175.76 176.35 1c2r n GLY 46 N 0.62 -0.44 0.00 0.00 0.00 -1.26 -3.65 105.19 100.47 1c2r n GLY 46 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1c2r n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c2r n THR 47 N -4.54 0.07 -2.04 2.61 -2.24 -1.23 -4.66 114.28 102.24 1c2r n THR 47 Ca -0.14 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 1c2r n THR 47 Cb 0.61 1.49 -0.02 0.00 -2.10 0.00 0.00 70.33 70.31 1c2r n THR 47 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1c2r s TYR 48 N -0.07 3.07 0.59 4.78 5.04 -1.26 -4.92 117.35 124.58 1c2r s TYR 48 Ca 0.00 1.02 -0.20 0.00 -2.44 0.00 0.00 57.07 55.45 1c2r s TYR 48 Cb 0.00 -3.79 -0.03 0.00 0.35 0.00 0.00 41.96 38.49 1c2r s TYR 48 CO 0.00 -2.60 1.32 -2.14 -1.34 0.00 0.00 175.55 170.79 1c2r s PRO 49 N -0.16 2.89 -1.53 4.97 0.02 -1.26 -3.38 135.00 136.55 1c2r s PRO 49 Ca 0.60 2.12 -0.14 0.00 0.02 0.00 0.00 61.00 63.61 1c2r s PRO 49 Cb -0.41 -2.06 0.09 0.00 0.02 0.00 0.00 34.50 32.14 1c2r s PRO 49 CO 0.41 -1.35 0.90 0.39 -0.33 0.00 0.00 177.00 177.02 1c2r n GLU 50 N -1.43 -5.03 -4.30 5.54 1.02 -1.26 -4.98 120.64 110.20 1c2r n GLU 50 Ca 0.13 0.57 -0.27 0.00 -0.02 0.00 0.00 57.16 57.57 1c2r n GLU 50 Cb 0.47 -5.43 -0.17 0.00 -0.02 0.00 0.00 31.44 26.29 1c2r n GLU 50 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1c2r s PHE 51 N -3.25 1.73 -0.69 -0.32 5.36 -1.22 -5.09 117.98 114.50 1c2r s PHE 51 Ca 0.63 -0.80 -0.21 0.00 -0.96 0.00 0.00 56.93 55.59 1c2r s PHE 51 Cb -0.32 -1.30 0.09 0.00 -0.34 0.00 0.00 43.02 41.16 1c2r s PHE 51 CO 0.78 -0.45 0.91 0.15 -1.46 0.00 0.00 175.22 175.15 1c2r s LYS 52 N 1.14 3.19 0.64 10.12 1.02 -1.26 -4.94 119.74 129.64 1c2r s LYS 52 Ca -0.04 -1.18 -0.07 0.00 0.02 0.00 0.00 55.97 54.70 1c2r s LYS 52 Cb -0.14 -4.37 0.02 0.00 -0.52 0.00 0.00 37.83 32.82 1c2r s LYS 52 CO -0.03 -1.72 0.96 0.71 -0.92 0.00 0.00 175.35 174.35 1c2r s TYR 53 N 3.34 3.20 0.66 3.18 1.51 -1.26 -5.07 117.35 122.90 1c2r s TYR 53 Ca 0.21 0.68 -0.11 0.00 -1.01 0.00 0.00 57.07 56.83 1c2r s TYR 53 Cb -0.17 -2.90 -0.02 0.00 -0.11 0.00 0.00 41.96 38.77 1c2r s TYR 53 CO 0.05 -1.02 1.05 0.15 -1.11 0.00 0.00 175.55 174.67 1c2r s LYS 54 N -5.11 3.28 0.11 -0.62 1.02 -1.26 -4.97 119.74 112.18 1c2r s LYS 54 Ca 0.56 0.75 -0.21 0.00 0.02 0.00 0.00 55.97 57.09 1c2r s LYS 54 Cb -0.11 -2.04 -0.09 0.00 -0.52 0.00 0.00 37.83 35.07 1c2r s LYS 54 CO 0.46 -0.80 1.72 -0.44 -0.92 0.00 0.00 175.35 175.37 1c2r h ASP 55 N -0.49 -0.09 -0.42 2.83 3.45 -1.98 -3.25 116.42 116.47 1c2r h ASP 55 Ca -0.44 0.03 0.09 0.00 0.43 0.00 0.00 57.03 57.14 1c2r h ASP 55 Cb 1.21 0.06 -0.09 0.00 -0.56 0.00 0.00 39.33 39.95 1c2r h ASP 55 CO 0.61 -0.03 -0.19 0.28 -1.57 0.00 0.00 179.24 178.34 1c2r h SER 56 N 0.00 -0.65 -0.07 6.45 0.02 -1.94 0.15 113.55 117.51 1c2r h SER 56 Ca 0.05 0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1c2r h SER 56 Cb 0.07 0.36 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1c2r h SER 56 CO -0.10 -0.22 -0.04 -0.29 -1.14 0.00 0.00 176.83 175.03 1c2r h ILE 57 N -0.11 1.14 -0.38 3.27 2.10 -1.82 -0.75 117.51 120.96 1c2r h ILE 57 Ca 0.20 -0.58 -0.09 0.00 1.08 0.00 0.00 64.86 65.47 1c2r h ILE 57 Cb 0.42 1.05 -0.02 0.00 -1.09 0.00 0.00 36.82 37.18 1c2r h ILE 57 CO -0.49 0.19 -0.13 0.58 -1.08 0.00 0.00 178.15 177.22 1c2r h VAL 58 N 0.27 1.25 -0.37 2.19 2.07 -1.08 -2.67 116.25 117.92 1c2r h VAL 58 Ca 0.06 -1.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 1c2r h VAL 58 Cb 0.25 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1c2r h VAL 58 CO 0.01 0.39 -0.18 0.00 0.02 0.00 0.00 177.57 177.80 1c2r h ALA 59 N 1.24 0.99 -0.27 1.67 0.00 -0.04 0.08 119.26 122.93 1c2r h ALA 59 Ca 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1c2r h ALA 59 Cb 0.58 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1c2r h ALA 59 CO 0.04 0.60 0.09 1.25 0.00 0.00 0.00 179.25 181.22 1c2r h LEU 60 N 0.62 0.39 -0.62 0.00 5.85 -1.04 -1.37 115.31 119.14 1c2r h LEU 60 Ca 0.10 -0.20 -0.14 0.00 0.84 0.00 0.00 57.88 58.48 1c2r h LEU 60 Cb 0.65 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1c2r h LEU 60 CO 0.05 0.49 -0.43 1.23 -0.34 0.00 0.00 178.44 179.44 1c2r h GLY 61 N 0.27 0.66 2.00 3.75 0.00 -1.23 -2.17 103.07 106.35 1c2r h GLY 61 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1c2r h GLY 61 CO -0.00 0.61 0.00 0.00 0.00 0.00 0.00 176.54 177.15 1c2r h ALA 62 N 1.04 1.00 -0.00 3.60 0.00 -0.67 0.24 119.26 124.47 1c2r h ALA 62 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1c2r h ALA 62 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1c2r h ALA 62 CO 0.08 0.00 -0.03 -1.13 0.00 0.00 0.00 179.25 178.17 1c2r n SER 63 N -3.02 0.34 0.00 0.00 3.41 -0.54 -4.88 113.62 108.93 1c2r n SER 63 Ca -0.02 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 1c2r n SER 63 Cb 0.14 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1c2r n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c2r n GLY 64 N 1.16 0.68 3.72 5.00 0.00 0.86 -5.09 105.19 111.52 1c2r n GLY 64 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1c2r n GLY 64 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c2r s PHE 65 N -2.00 3.43 0.02 1.61 5.36 -1.13 -5.00 117.98 120.27 1c2r s PHE 65 Ca 0.00 1.35 0.06 0.00 -0.96 0.00 0.00 56.93 57.38 1c2r s PHE 65 Cb 0.00 -3.43 -0.02 0.00 -0.34 0.00 0.00 43.02 39.23 1c2r s PHE 65 CO 0.00 -1.28 -0.19 0.00 -1.46 0.00 0.00 175.22 172.29 1c2r s ALA 66 N 0.52 1.61 0.45 11.12 0.00 -1.26 -0.63 121.76 133.57 1c2r s ALA 66 Ca 0.56 -0.93 -0.21 0.00 0.00 0.00 0.00 51.96 51.38 1c2r s ALA 66 Cb -0.31 -0.34 -0.09 0.00 0.00 0.00 0.00 23.12 22.37 1c2r s ALA 66 CO 0.33 0.37 1.01 -1.58 0.00 0.00 0.00 175.76 175.88 1c2r s TRP 67 N -0.67 3.14 0.29 0.00 0.52 -0.25 -4.84 118.94 117.14 1c2r s TRP 67 Ca 0.07 1.60 0.05 0.00 0.02 0.00 0.00 56.10 57.84 1c2r s TRP 67 Cb -0.08 -3.00 -0.06 0.00 -1.15 0.00 0.00 33.47 29.18 1c2r s TRP 67 CO 0.01 -0.56 0.00 0.95 0.02 0.00 0.00 176.95 177.37 1c2r s THR 68 N -2.00 1.36 0.31 2.01 -4.23 -1.26 -0.26 115.64 111.57 1c2r s THR 68 Ca 0.64 -2.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1c2r s THR 68 Cb -0.15 -2.59 0.13 0.00 1.34 0.00 0.00 72.50 71.23 1c2r s THR 68 CO 0.19 -0.17 1.82 -0.33 -0.54 0.00 0.00 174.62 175.58 1c2r h GLU 69 N 2.23 0.57 -0.18 3.99 5.08 -1.97 0.65 114.58 124.95 1c2r h GLU 69 Ca -0.40 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 57.80 1c2r h GLU 69 Cb 1.24 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1c2r h GLU 69 CO 0.68 0.63 0.08 1.49 -1.00 0.00 0.00 179.01 180.89 1c2r h GLU 70 N 0.54 0.26 -0.29 2.33 4.22 -1.96 -0.50 114.58 119.17 1c2r h GLU 70 Ca 0.11 -0.04 -0.17 0.00 0.08 0.00 0.00 59.36 59.34 1c2r h GLU 70 Cb 0.43 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1c2r h GLU 70 CO 0.02 0.32 -0.48 -0.44 -2.18 0.00 0.00 179.01 176.25 1c2r h ASP 71 N 0.14 0.87 -0.24 1.04 5.19 -1.91 -2.12 116.42 119.38 1c2r h ASP 71 Ca 0.06 -0.43 0.05 0.00 -0.62 0.00 0.00 57.03 56.09 1c2r h ASP 71 Cb 0.15 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 39.36 1c2r h ASP 71 CO -0.01 1.20 -0.11 0.40 -3.12 0.00 0.00 179.24 177.61 1c2r h ILE 72 N 0.63 0.66 -0.91 0.35 2.04 -0.69 0.40 117.51 119.99 1c2r h ILE 72 Ca 0.03 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.07 1c2r h ILE 72 Cb 1.06 0.66 -0.10 0.00 -0.74 0.00 0.00 36.82 37.69 1c2r h ILE 72 CO 0.10 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.74 1c2r h ALA 73 N 1.14 1.44 0.07 1.87 0.00 -0.87 -1.46 119.26 121.45 1c2r h ALA 73 Ca 0.13 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1c2r h ALA 73 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1c2r h ALA 73 CO -0.29 -0.13 -0.03 1.15 0.00 0.00 0.00 179.25 179.95 1c2r h THR 74 N 0.62 1.14 -0.66 0.00 2.02 -0.54 -3.32 112.91 112.17 1c2r h THR 74 Ca 0.52 -1.50 0.14 0.00 0.77 0.00 0.00 66.41 66.35 1c2r h THR 74 Cb 0.82 2.00 -0.11 0.00 -1.74 0.00 0.00 68.15 69.12 1c2r h THR 74 CO -0.40 0.33 0.06 0.22 0.37 0.00 0.00 175.52 176.10 1c2r h TYR 75 N -0.86 0.07 -0.98 3.16 3.20 -0.02 -1.87 116.97 119.67 1c2r h TYR 75 Ca -0.01 0.04 0.22 0.00 3.14 0.00 0.00 58.73 62.13 1c2r h TYR 75 Cb 0.61 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.87 1c2r h TYR 75 CO 0.14 -0.14 0.63 0.28 -1.64 0.00 0.00 178.16 177.43 1c2r h VAL 76 N 0.17 0.63 -0.28 1.81 2.07 -1.39 0.11 116.25 119.37 1c2r h VAL 76 Ca 0.36 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.60 1c2r h VAL 76 Cb 0.59 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1c2r h VAL 76 CO -0.53 0.09 -0.25 0.11 0.02 0.00 0.00 177.57 177.02 1c2r h LYS 77 N 0.50 0.55 -0.85 1.57 1.57 -1.44 -1.18 116.57 117.30 1c2r h LYS 77 Ca 0.54 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1c2r h LYS 77 Cb 1.21 -0.03 -0.18 0.00 0.08 0.00 0.00 32.23 33.31 1c2r h LYS 77 CO -0.27 0.75 -0.39 0.34 -0.57 0.00 0.00 179.45 179.30 1c2r s ASP 78 N -6.80 -1.28 0.18 0.86 3.68 -0.53 -3.88 116.67 108.91 1c2r s ASP 78 Ca -0.07 -0.89 -0.13 0.00 2.13 0.00 0.00 52.55 53.59 1c2r s ASP 78 Cb 0.14 1.65 0.18 0.00 -1.45 0.00 0.00 42.92 43.44 1c2r s ASP 78 CO 0.80 -0.12 1.74 -0.65 0.13 0.00 0.00 175.17 177.07 1c2r h PRO 79 N 6.17 0.30 -0.23 4.34 0.11 -1.08 -0.44 132.00 141.17 1c2r h PRO 79 Ca 0.04 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 1c2r h PRO 79 Cb 1.17 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1c2r h PRO 79 CO 0.04 0.20 -0.19 0.78 -0.21 0.00 0.00 178.00 178.62 1c2r h GLY 80 N 0.31 0.43 1.77 -0.55 0.00 -1.89 -1.47 103.07 101.67 1c2r h GLY 80 Ca 0.24 -0.32 -0.19 0.00 0.00 0.00 0.00 47.33 47.06 1c2r h GLY 80 CO -0.27 0.29 -0.84 0.00 0.00 0.00 0.00 176.54 175.72 1c2r h ALA 81 N 1.43 0.56 -0.04 3.60 0.00 -1.83 -1.85 119.26 121.13 1c2r h ALA 81 Ca 0.06 -0.70 0.03 0.00 0.00 0.00 0.00 54.91 54.31 1c2r h ALA 81 Cb 0.55 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1c2r h ALA 81 CO 0.04 0.89 -0.19 0.35 0.00 0.00 0.00 179.25 180.33 1c2r h PHE 82 N 0.12 -0.50 -0.33 0.00 3.57 -0.37 -2.38 116.94 117.06 1c2r h PHE 82 Ca -0.04 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.50 1c2r h PHE 82 Cb 1.45 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 40.40 1c2r h PHE 82 CO 0.03 -0.27 0.18 -0.07 -2.23 0.00 0.00 178.31 175.94 1c2r h LEU 83 N -0.29 0.27 -0.96 0.59 3.38 -1.14 0.06 115.31 117.24 1c2r h LEU 83 Ca 0.07 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.16 1c2r h LEU 83 Cb 0.39 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 1c2r h LEU 83 CO -0.21 0.20 0.59 0.11 0.09 0.00 0.00 178.44 179.22 1c2r h LYS 84 N 0.36 0.91 0.16 1.13 1.57 -1.08 0.30 116.57 119.91 1c2r h LYS 84 Ca 0.13 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1c2r h LYS 84 Cb 0.02 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1c2r h LYS 84 CO -0.08 0.60 -0.08 1.49 -0.57 0.00 0.00 179.45 180.82 1c2r h GLU 85 N 0.94 -0.20 -0.93 3.15 4.81 -1.25 0.33 114.58 121.43 1c2r h GLU 85 Ca 0.47 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.77 1c2r h GLU 85 Cb 0.46 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1c2r h GLU 85 CO -0.26 0.23 0.59 0.87 -0.73 0.00 0.00 179.01 179.70 1c2r h LYS 86 N -0.84 1.06 -0.00 1.92 1.79 -0.37 -1.74 116.57 118.38 1c2r h LYS 86 Ca -0.02 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1c2r h LYS 86 Cb 0.53 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1c2r h LYS 86 CO 0.04 0.70 -0.21 1.28 -1.08 0.00 0.00 179.45 180.17 1c2r n LEU 87 N -4.55 0.70 -3.83 2.94 4.77 0.99 -4.92 117.00 113.10 1c2r n LEU 87 Ca 0.13 -0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.76 1c2r n LEU 87 Cb 0.16 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1c2r n LEU 87 CO 0.32 0.13 0.01 -0.67 -1.33 0.00 0.00 177.39 175.86 1c2r n ASP 88 N -0.90 -2.96 -3.75 -1.43 2.03 0.10 -4.97 116.55 104.68 1c2r n ASP 88 Ca 0.12 -0.81 -0.28 0.00 0.52 0.00 0.00 54.79 54.34 1c2r n ASP 88 Cb 0.32 -3.90 -0.16 0.00 -0.72 0.00 0.00 41.12 36.65 1c2r n ASP 88 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1c2r s ASP 89 N -3.83 2.96 0.53 1.67 3.68 -0.26 -4.99 116.67 116.44 1c2r s ASP 89 Ca 0.34 -0.84 0.35 0.00 2.13 0.00 0.00 52.55 54.53 1c2r s ASP 89 Cb -0.17 -0.63 1.71 0.00 -1.45 0.00 0.00 42.92 42.38 1c2r s ASP 89 CO 0.83 -0.30 2.06 0.11 0.13 0.00 0.00 175.17 178.00 1c2r h LYS 90 N 8.23 0.00 -0.01 4.34 1.57 -1.93 -1.32 116.57 127.44 1c2r h LYS 90 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1c2r h LYS 90 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1c2r h LYS 90 CO 0.34 0.00 -0.03 1.63 -0.57 0.00 0.00 179.45 180.82 1c2r n LYS 91 N -2.88 1.60 -1.76 3.15 5.02 -1.26 -4.94 118.16 117.09 1c2r n LYS 91 Ca -0.01 -0.96 -0.42 0.00 -2.02 0.00 0.00 58.31 54.90 1c2r n LYS 91 Cb 0.17 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 1c2r n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2r s ALA 92 N -2.06 3.69 0.00 7.82 0.00 -0.50 -5.02 121.76 125.69 1c2r s ALA 92 Ca 0.36 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.67 1c2r s ALA 92 Cb 0.21 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1c2r s ALA 92 CO 0.35 -1.32 0.00 0.15 0.00 0.00 0.00 175.76 174.95 1c2r s LYS 93 N 3.33 2.79 0.04 0.00 1.02 -1.26 -4.65 119.74 121.01 1c2r s LYS 93 Ca 0.82 -0.61 0.03 0.00 0.02 0.00 0.00 55.97 56.22 1c2r s LYS 93 Cb -0.43 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 1c2r s LYS 93 CO 0.37 0.62 0.00 -0.08 -0.92 0.00 0.00 175.35 175.35 1c2r s THR 94 N -1.10 4.12 -0.70 2.17 -1.32 -1.26 -4.48 115.64 113.08 1c2r s THR 94 Ca 0.20 -0.75 0.23 0.00 -1.21 0.00 0.00 61.69 60.16 1c2r s THR 94 Cb -0.12 -2.89 -0.13 0.00 -1.51 0.00 0.00 72.50 67.86 1c2r s THR 94 CO 0.11 0.27 1.03 0.61 -2.21 0.00 0.00 174.62 174.43 1c2r n GLY 95 N 1.05 -1.17 3.54 6.08 0.00 -1.26 -4.78 105.19 108.65 1c2r n GLY 95 Ca -0.13 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1c2r n GLY 95 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1c2r s MET 96 N -3.15 3.41 -0.98 1.61 -2.45 -1.26 -4.95 119.30 111.53 1c2r s MET 96 Ca 0.05 -0.09 -0.05 0.00 -1.25 0.00 0.00 55.69 54.35 1c2r s MET 96 Cb 0.15 -4.00 0.10 0.00 1.25 0.00 0.00 34.83 32.33 1c2r s MET 96 CO 0.80 -1.39 2.53 0.00 1.05 0.00 0.00 175.02 178.02 1c2r n ALA 97 N 7.37 6.66 -3.56 4.11 0.00 -1.26 -4.86 120.51 128.96 1c2r n ALA 97 Ca 0.04 -3.68 -0.15 0.00 0.00 0.00 0.00 53.44 49.64 1c2r n ALA 97 Cb 0.48 -2.52 -0.07 0.00 0.00 0.00 0.00 19.45 17.34 1c2r n ALA 97 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1c2r s PHE 98 N -1.42 -0.71 -0.09 0.00 5.36 -1.26 -5.14 117.98 114.71 1c2r s PHE 98 Ca 0.56 1.61 0.02 0.00 -0.96 0.00 0.00 56.93 58.16 1c2r s PHE 98 Cb 0.26 0.29 0.01 0.00 -0.34 0.00 0.00 43.02 43.25 1c2r s PHE 98 CO -0.15 -0.42 -0.15 0.15 -1.46 0.00 0.00 175.22 173.19 1c2r s LYS 99 N -0.08 2.16 0.01 10.12 1.02 -1.26 -4.61 119.74 127.10 1c2r s LYS 99 Ca -0.03 -0.55 -0.18 0.00 0.02 0.00 0.00 55.97 55.23 1c2r s LYS 99 Cb -0.04 -1.79 -0.06 0.00 -0.52 0.00 0.00 37.83 35.42 1c2r s LYS 99 CO 0.03 -0.01 0.50 -1.17 -0.92 0.00 0.00 175.35 173.78 1c2r s LEU 100 N 0.82 4.46 -0.05 3.17 2.96 -0.45 -4.98 118.68 124.62 1c2r s LEU 100 Ca -0.10 1.07 -0.24 0.00 -0.22 0.00 0.00 54.13 54.64 1c2r s LEU 100 Cb -0.16 -2.76 -0.25 0.00 0.50 0.00 0.00 46.19 43.53 1c2r s LEU 100 CO 0.01 0.23 1.00 0.00 -1.32 0.00 0.00 176.35 176.27 1c2r h ALA 101 N 5.07 0.02 -3.23 5.97 0.00 -1.89 -3.38 119.26 121.82 1c2r h ALA 101 Ca -0.48 -0.52 -0.18 0.00 0.00 0.00 0.00 54.91 53.73 1c2r h ALA 101 Cb 1.21 0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.76 1c2r h ALA 101 CO 0.65 0.16 -0.49 0.21 0.00 0.00 0.00 179.25 179.78 1c2r s LYS 102 N -2.97 0.22 0.00 0.00 2.20 -1.26 -4.96 119.74 112.98 1c2r s LYS 102 Ca -0.15 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1c2r s LYS 102 Cb 0.01 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1c2r s LYS 102 CO 0.76 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 176.12 1c2r n GLY 103 N 3.13 1.18 0.38 5.54 0.00 -1.26 -5.05 105.19 109.11 1c2r n GLY 103 Ca -0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.89 1c2r n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2r n GLY 104 N 0.00 -1.95 0.20 -0.02 0.00 -1.26 -0.80 105.19 101.37 1c2r n GLY 104 Ca 0.00 1.10 -0.02 0.00 0.00 0.00 0.00 46.02 47.10 1c2r n GLY 104 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1c2r h GLU 105 N 0.00 0.25 -0.02 1.61 4.81 -1.90 0.34 114.58 119.68 1c2r h GLU 105 Ca 0.38 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1c2r h GLU 105 Cb 0.63 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1c2r h GLU 105 CO -1.00 0.59 -0.15 -0.44 -0.73 0.00 0.00 179.01 177.29 1c2r h ASP 106 N 0.21 0.16 -0.50 1.04 3.45 -1.56 0.71 116.42 119.93 1c2r h ASP 106 Ca 0.02 -0.71 -0.05 0.00 0.43 0.00 0.00 57.03 56.72 1c2r h ASP 106 Cb 0.76 -0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 39.46 1c2r h ASP 106 CO 0.06 0.84 0.13 0.58 -1.57 0.00 0.00 179.24 179.28 1c2r h VAL 107 N -0.51 1.23 -0.14 -1.35 2.07 -0.88 -0.31 116.25 116.36 1c2r h VAL 107 Ca -0.01 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1c2r h VAL 107 Cb 0.85 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1c2r h VAL 107 CO 0.03 0.31 0.09 0.00 0.02 0.00 0.00 177.57 178.03 1c2r h ALA 108 N 1.32 0.18 -0.72 1.67 0.00 -0.24 -0.89 119.26 120.57 1c2r h ALA 108 Ca 0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1c2r h ALA 108 Cb 0.31 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1c2r h ALA 108 CO -0.00 -0.33 0.28 0.00 0.00 0.00 0.00 179.25 179.20 1c2r h ALA 109 N 1.05 0.94 -0.01 0.00 0.00 -0.46 -2.26 119.26 118.52 1c2r h ALA 109 Ca 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1c2r h ALA 109 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1c2r h ALA 109 CO -0.01 0.56 -0.07 -0.92 0.00 0.00 0.00 179.25 178.81 1c2r h TYR 110 N 1.04 -0.18 -0.82 0.00 3.20 -0.72 -1.14 116.97 118.35 1c2r h TYR 110 Ca 0.24 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.24 1c2r h TYR 110 Cb 0.22 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 1c2r h TYR 110 CO 0.02 -0.11 0.53 -0.07 -1.64 0.00 0.00 178.16 176.89 1c2r h LEU 111 N -0.12 0.59 -0.76 2.82 3.38 -0.94 -0.42 115.31 119.87 1c2r h LEU 111 Ca 0.03 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1c2r h LEU 111 Cb 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1c2r h LEU 111 CO -0.08 0.32 -0.21 0.00 0.09 0.00 0.00 178.44 178.57 1c2r h ALA 112 N 1.61 0.94 -0.74 1.53 0.00 -0.65 -3.24 119.26 118.71 1c2r h ALA 112 Ca 0.40 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1c2r h ALA 112 Cb 0.64 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1c2r h ALA 112 CO -0.16 0.61 0.26 0.66 0.00 0.00 0.00 179.25 180.63 1c2r h SER 113 N 0.63 1.04 -0.42 0.00 4.64 -0.10 -3.31 113.55 116.03 1c2r h SER 113 Ca 0.09 -0.17 0.12 0.00 -0.47 0.00 0.00 61.79 61.36 1c2r h SER 113 Cb 0.69 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1c2r h SER 113 CO 0.05 0.94 0.46 0.58 -0.87 0.00 0.00 176.83 178.00 1c2r h VAL 114 N 1.08 0.35 -0.45 0.95 2.07 -1.37 -1.62 116.25 117.27 1c2r h VAL 114 Ca 0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1c2r h VAL 114 Cb 0.25 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1c2r h VAL 114 CO -0.01 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.91 1c2r n VAL 115 N -3.68 0.59 0.76 2.57 0.24 -1.25 -5.02 118.33 112.54 1c2r n VAL 115 Ca 0.08 -0.66 0.09 0.00 -2.04 0.00 0.00 64.34 61.81 1c2r n VAL 115 Cb 0.64 0.46 0.08 0.00 -1.47 0.00 0.00 33.84 33.55 1c2r n VAL 115 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98