#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1r n GLY 30 N 0.00 -1.86 3.55 3.14 0.00 -1.26 -5.12 105.19 103.64 1d1r n GLY 30 Ca 0.00 1.34 -0.41 0.00 0.00 0.00 0.00 46.02 46.94 1d1r n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d1r s ASP 31 N 0.76 6.31 0.37 1.61 1.01 -1.26 -5.06 116.67 120.41 1d1r s ASP 31 Ca 0.23 -0.06 0.08 0.00 0.71 0.00 0.00 52.55 53.51 1d1r s ASP 31 Cb 0.16 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 1d1r s ASP 31 CO -0.10 -0.47 0.28 -0.83 0.21 0.00 0.00 175.17 174.25 1d1r s GLY 32 N 1.76 2.00 -0.34 0.21 0.00 -1.26 -4.73 107.32 104.96 1d1r s GLY 32 Ca 0.18 -1.82 0.03 0.00 0.00 0.00 0.00 44.72 43.11 1d1r s GLY 32 CO 0.13 -1.69 0.40 0.54 0.00 0.00 0.00 173.10 172.48 1d1r s VAL 33 N -2.42 -0.50 -0.52 1.40 0.11 -1.26 -2.39 120.40 114.82 1d1r s VAL 33 Ca 0.43 -0.61 -0.25 0.00 -2.93 0.00 0.00 61.98 58.61 1d1r s VAL 33 Cb -0.03 -0.74 0.03 0.00 -1.53 0.00 0.00 36.38 34.12 1d1r s VAL 33 CO 0.26 -0.42 0.96 -0.69 -3.33 0.00 0.00 175.10 171.88 1d1r s VAL 34 N 1.93 4.38 -0.22 2.04 1.01 -1.26 -3.70 120.40 124.58 1d1r s VAL 34 Ca 0.14 0.53 -0.26 0.00 0.00 0.00 0.00 61.98 62.38 1d1r s VAL 34 Cb -0.13 -4.52 -0.00 0.00 0.00 0.00 0.00 36.38 31.73 1d1r s VAL 34 CO -0.16 -1.04 0.89 -0.13 0.00 0.00 0.00 175.10 174.67 1d1r s ARG 35 N 3.99 4.23 -0.21 2.72 0.52 -1.25 -4.04 118.95 124.91 1d1r s ARG 35 Ca 0.34 1.08 0.02 0.00 -0.52 0.00 0.00 55.73 56.65 1d1r s ARG 35 Cb -0.11 -3.63 0.03 0.00 0.52 0.00 0.00 34.95 31.77 1d1r s ARG 35 CO 0.23 -0.51 -0.17 0.42 0.02 0.00 0.00 175.30 175.29 1d1r s ILE 36 N 2.79 2.09 0.01 1.52 1.01 -1.26 -3.55 121.20 123.81 1d1r s ILE 36 Ca 0.38 -1.19 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 1d1r s ILE 36 Cb -0.16 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1d1r s ILE 36 CO 0.08 0.33 0.10 0.00 0.00 0.00 0.00 174.94 175.45 1d1r s GLN 37 N 1.23 0.49 -0.24 2.79 -2.07 -1.24 -3.90 119.66 116.71 1d1r s GLN 37 Ca -0.00 -0.53 -0.15 0.00 -1.82 0.00 0.00 55.36 52.86 1d1r s GLN 37 Cb -0.16 0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 31.92 1d1r s GLN 37 CO -0.10 -0.11 0.37 -0.98 -1.32 0.00 0.00 175.29 173.14 1d1r s ARG 38 N -1.72 4.09 0.01 9.60 1.70 -1.26 -2.30 118.95 129.06 1d1r s ARG 38 Ca -0.12 0.08 -0.07 0.00 -0.47 0.00 0.00 55.73 55.15 1d1r s ARG 38 Cb -0.06 -3.60 -0.30 0.00 -0.57 0.00 0.00 34.95 30.42 1d1r s ARG 38 CO -0.00 -0.15 0.89 0.37 -1.08 0.00 0.00 175.30 175.33 1d1r h GLN 39 N 7.78 0.34 -5.92 3.89 5.75 -1.89 -3.48 115.11 121.57 1d1r h GLN 39 Ca -0.34 -0.57 -0.37 0.00 -0.15 0.00 0.00 58.65 57.21 1d1r h GLN 39 Cb 1.16 0.21 0.11 0.00 1.07 0.00 0.00 27.48 30.03 1d1r h GLN 39 CO 0.68 1.23 -0.86 2.41 -2.65 0.00 0.00 178.83 179.64 1d1r n THR 40 N -3.54 -6.08 -3.92 2.39 -1.04 -1.26 -4.94 114.28 95.89 1d1r n THR 40 Ca -0.17 -0.81 -0.35 0.00 -2.04 0.00 0.00 64.05 60.68 1d1r n THR 40 Cb 1.06 -4.69 -0.14 0.00 -1.82 0.00 0.00 70.33 64.74 1d1r n THR 40 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1d1r s SER 41 N -3.93 4.30 0.00 8.00 0.15 -1.26 -4.98 113.70 115.99 1d1r s SER 41 Ca 0.22 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1d1r s SER 41 Cb -0.05 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.54 1d1r s SER 41 CO 0.80 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.78 1d1r n GLY 42 N 4.75 1.14 2.56 9.45 0.00 -1.26 -4.94 105.19 116.89 1d1r n GLY 42 Ca -0.17 -2.28 -0.00 0.00 0.00 0.00 0.00 46.02 43.56 1d1r n GLY 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d1r n ARG 43 N -0.89 1.37 -0.52 1.61 0.63 -1.26 -4.86 116.66 112.74 1d1r n ARG 43 Ca 0.00 -2.82 0.05 0.00 -0.92 0.00 0.00 57.85 54.16 1d1r n ARG 43 Cb 0.00 -0.97 0.23 0.00 0.45 0.00 0.00 32.46 32.17 1d1r n ARG 43 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1d1r n LYS 44 N -0.59 2.37 0.00 -0.14 5.02 -1.26 -4.91 118.16 118.65 1d1r n LYS 44 Ca 0.01 -2.92 0.00 0.00 -2.02 0.00 0.00 58.31 53.38 1d1r n LYS 44 Cb 0.86 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1d1r n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1d1r n GLY 45 N -0.82 -2.15 0.10 0.72 0.00 -1.26 -5.09 105.19 96.69 1d1r n GLY 45 Ca 0.25 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.99 1d1r n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d1r n LYS 46 N -0.44 0.00 -4.00 1.61 5.02 -1.26 -5.16 118.16 113.92 1d1r n LYS 46 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1d1r n LYS 46 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1d1r n LYS 46 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1d1r s GLY 47 N -1.92 0.78 0.05 0.72 0.00 -1.26 -4.85 107.32 100.83 1d1r s GLY 47 Ca 0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 44.72 43.63 1d1r s GLY 47 CO 0.00 -0.69 0.08 -1.34 0.00 0.00 0.00 173.10 171.14 1d1r s VAL 48 N -3.56 0.16 -0.27 1.40 -7.23 -1.26 -4.45 120.40 105.19 1d1r s VAL 48 Ca 0.24 -1.29 0.01 0.00 -1.81 0.00 0.00 61.98 59.14 1d1r s VAL 48 Cb -0.01 -1.11 0.05 0.00 0.56 0.00 0.00 36.38 35.87 1d1r s VAL 48 CO 0.12 -0.71 -0.08 0.00 -0.31 0.00 0.00 175.10 174.12 1d1r s LEU 50 N 1.17 4.13 -0.33 0.00 1.43 -0.97 -1.89 118.68 122.21 1d1r s LEU 50 Ca -0.07 0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 53.49 1d1r s LEU 50 Cb -0.19 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.50 1d1r s LEU 50 CO -0.04 -0.13 0.10 -0.63 0.23 0.00 0.00 176.35 175.87 1d1r s ILE 51 N 1.58 3.81 0.01 -0.59 -1.09 -0.50 -3.69 121.20 120.72 1d1r s ILE 51 Ca 0.20 -1.05 -0.27 0.00 -2.23 0.00 0.00 60.65 57.30 1d1r s ILE 51 Cb -0.15 -3.12 0.06 0.00 -1.58 0.00 0.00 42.46 37.68 1d1r s ILE 51 CO 0.09 -0.13 0.61 0.28 -1.23 0.00 0.00 174.94 174.56 1d1r s THR 52 N 1.42 0.01 0.00 2.92 -1.32 -1.23 -1.95 115.64 115.49 1d1r s THR 52 Ca -0.01 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 1d1r s THR 52 Cb -0.19 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1d1r s THR 52 CO 0.03 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1d1r n GLY 53 N 0.61 0.58 3.07 6.08 0.00 -1.26 -3.97 105.19 110.30 1d1r n GLY 53 Ca -0.19 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1d1r n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1r s VAL 54 N -1.16 2.79 -0.64 1.61 1.01 -1.24 -4.15 120.40 118.62 1d1r s VAL 54 Ca 0.00 -2.19 -0.27 0.00 0.00 0.00 0.00 61.98 59.52 1d1r s VAL 54 Cb 0.00 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.43 1d1r s VAL 54 CO 0.00 -0.64 1.39 -0.62 0.00 0.00 0.00 175.10 175.24 1d1r s ASP 55 N 1.37 6.06 0.00 3.32 2.15 -1.26 -4.88 116.67 123.43 1d1r s ASP 55 Ca 0.09 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.05 1d1r s ASP 55 Cb -0.21 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 1d1r s ASP 55 CO -0.06 -1.82 0.00 -0.11 -0.17 0.00 0.00 175.17 173.01 1d1r n LEU 56 N 9.79 0.00 0.00 -1.34 0.00 -1.26 -4.36 117.00 119.83 1d1r n LEU 56 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.10 1d1r n LEU 56 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.91 1d1r n LEU 56 CO 0.71 0.00 0.01 0.47 0.00 0.00 0.00 177.39 178.59 1d1r n ASP 57 N 0.00 0.00 0.00 1.96 9.92 -1.26 -5.04 116.55 122.12 1d1r n ASP 57 Ca 0.00 0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1d1r n ASP 57 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1d1r n ASP 57 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1d1r n ASP 58 N -0.17 0.00 0.19 -2.24 -0.08 -1.26 -4.93 116.55 108.06 1d1r n ASP 58 Ca 0.00 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.36 1d1r n ASP 58 Cb 0.00 0.04 0.23 0.00 2.34 0.00 0.00 41.12 43.73 1d1r n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1d1r h ALA 59 N 0.00 0.88 0.00 -1.67 0.00 -2.02 -3.06 119.26 113.39 1d1r h ALA 59 Ca 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1d1r h ALA 59 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1d1r h ALA 59 CO 0.00 0.33 -0.33 0.93 0.00 0.00 0.00 179.25 180.17 1d1r h GLU 60 N 0.00 0.00 -0.17 0.00 4.39 -1.99 -2.50 114.58 114.31 1d1r h GLU 60 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1d1r h GLU 60 Cb 1.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1d1r h GLU 60 CO 0.03 0.33 -0.27 -0.07 -1.16 0.00 0.00 179.01 177.88 1d1r h LEU 61 N 0.00 0.31 -0.28 1.33 4.07 -1.92 -1.60 115.31 117.21 1d1r h LEU 61 Ca -0.00 -0.10 -0.17 0.00 0.08 0.00 0.00 57.88 57.69 1d1r h LEU 61 Cb 0.67 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1d1r h LEU 61 CO 0.04 0.58 -0.50 0.74 -1.08 0.00 0.00 178.44 178.23 1d1r h THR 62 N 0.28 1.28 -0.44 0.22 2.02 -1.57 -2.07 112.91 112.63 1d1r h THR 62 Ca 0.04 -1.68 -0.10 0.00 0.77 0.00 0.00 66.41 65.44 1d1r h THR 62 Cb 0.63 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1d1r h THR 62 CO 0.05 0.55 -0.13 0.50 0.37 0.00 0.00 175.52 176.85 1d1r h LYS 63 N 0.60 0.80 0.07 6.66 3.64 -1.36 -0.78 116.57 126.22 1d1r h LYS 63 Ca 0.02 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1d1r h LYS 63 Cb 1.10 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1d1r h LYS 63 CO 0.11 0.89 -0.03 1.25 -2.27 0.00 0.00 179.45 179.40 1d1r h LEU 64 N 0.72 -0.08 -1.96 5.20 5.85 -1.22 -0.92 115.31 122.89 1d1r h LEU 64 Ca 0.12 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1d1r h LEU 64 Cb 0.63 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1d1r h LEU 64 CO 0.04 0.20 -0.10 0.00 -0.34 0.00 0.00 178.44 178.24 1d1r h ALA 65 N 0.54 1.53 -0.05 1.25 0.00 -1.29 -1.34 119.26 119.90 1d1r h ALA 65 Ca -0.01 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1d1r h ALA 65 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1d1r h ALA 65 CO 0.02 0.13 -0.78 0.00 0.00 0.00 0.00 179.25 178.61 1d1r h ALA 66 N 1.90 0.57 0.00 0.00 0.00 -0.72 -2.10 119.26 118.90 1d1r h ALA 66 Ca -0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.15 1d1r h ALA 66 Cb 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1d1r h ALA 66 CO 0.01 0.80 -0.56 1.49 0.00 0.00 0.00 179.25 180.99 1d1r h GLU 67 N 0.23 0.00 0.09 0.00 4.81 -0.22 -3.05 114.58 116.43 1d1r h GLU 67 Ca -0.04 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.92 1d1r h GLU 67 Cb 1.37 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.76 1d1r h GLU 67 CO 0.13 0.56 -1.15 -0.07 -0.73 0.00 0.00 179.01 177.75 1d1r h LEU 68 N 0.00 0.62 -1.61 1.64 -0.00 -1.19 -3.16 115.31 111.62 1d1r h LEU 68 Ca -0.01 -0.58 -0.03 0.00 -0.00 0.00 0.00 57.88 57.26 1d1r h LEU 68 Cb 1.27 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 41.73 1d1r h LEU 68 CO 0.07 1.41 -0.15 0.50 -0.00 0.00 0.00 178.44 180.27 1d1r h LYS 69 N 0.19 0.00 -0.40 1.13 3.64 -1.38 -2.51 116.57 117.24 1d1r h LYS 69 Ca -0.14 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.36 1d1r h LYS 69 Cb 1.83 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.63 1d1r h LYS 69 CO 0.20 0.15 0.29 -0.22 -2.27 0.00 0.00 179.45 177.61 1d1r h LYS 70 N 0.00 0.00 -1.44 1.90 1.63 -1.49 -2.78 116.57 114.38 1d1r h LYS 70 Ca -0.00 0.00 -0.47 0.00 -0.85 0.00 0.00 60.65 59.33 1d1r h LYS 70 Cb 0.50 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 31.72 1d1r h LYS 70 CO 0.02 0.00 -1.00 1.63 -3.45 0.00 0.00 179.45 176.65 1d1r n LYS 71 N -4.37 2.00 -0.04 1.90 5.02 -0.95 -4.80 118.16 116.91 1d1r n LYS 71 Ca 0.07 -3.81 -0.04 0.00 -2.02 0.00 0.00 58.31 52.51 1d1r n LYS 71 Cb 0.48 -1.71 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 1d1r n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1d1r n GLY 73 N 2.32 0.61 0.00 0.00 0.00 -1.26 -4.92 105.19 101.94 1d1r n GLY 73 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1d1r n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d1r s GLY 75 N 0.00 2.02 0.00 0.00 0.00 -1.26 -4.59 107.32 103.49 1d1r s GLY 75 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1d1r s GLY 75 CO 0.00 -0.41 0.00 0.61 0.00 0.00 0.00 173.10 173.30 1d1r n GLY 76 N 2.18 0.75 3.31 0.20 0.00 -1.26 -5.01 105.19 105.36 1d1r n GLY 76 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1d1r n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d1r s ALA 77 N -2.55 2.34 -0.34 4.61 0.00 -1.22 -5.04 121.76 119.56 1d1r s ALA 77 Ca 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1d1r s ALA 77 Cb 0.00 -0.88 0.10 0.00 0.00 0.00 0.00 23.12 22.35 1d1r s ALA 77 CO 0.00 0.36 0.08 0.08 0.00 0.00 0.00 175.76 176.29 1d1r s VAL 78 N 0.01 1.73 -0.02 0.00 1.01 -1.26 -1.97 120.40 119.90 1d1r s VAL 78 Ca -0.07 -2.05 0.05 0.00 0.00 0.00 0.00 61.98 59.91 1d1r s VAL 78 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1d1r s VAL 78 CO 0.05 -0.65 -0.16 -0.54 0.00 0.00 0.00 175.10 173.80 1d1r s LYS 79 N 1.09 2.34 -0.50 2.72 1.02 -0.40 -5.03 119.74 120.98 1d1r s LYS 79 Ca 0.11 -0.80 -0.26 0.00 0.02 0.00 0.00 55.97 55.04 1d1r s LYS 79 Cb -0.19 -2.29 -0.07 0.00 -0.52 0.00 0.00 37.83 34.76 1d1r s LYS 79 CO -0.14 0.59 2.40 0.34 -0.92 0.00 0.00 175.35 177.62 1d1r s ASP 80 N -0.92 4.44 0.00 2.83 2.15 -1.26 -1.03 116.67 122.87 1d1r s ASP 80 Ca 0.12 1.04 0.00 0.00 0.43 0.00 0.00 52.55 54.15 1d1r s ASP 80 Cb -0.11 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1d1r s ASP 80 CO 0.02 -2.89 0.00 0.61 -0.17 0.00 0.00 175.17 172.73 1d1r n GLY 81 N 6.01 1.29 2.82 2.66 0.00 -1.26 -5.05 105.19 111.65 1d1r n GLY 81 Ca 0.36 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1d1r n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1r s VAL 82 N -0.66 0.68 -0.13 1.61 1.01 -0.20 -4.46 120.40 118.25 1d1r s VAL 82 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1d1r s VAL 82 Cb 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.53 1d1r s VAL 82 CO 0.00 0.19 -0.17 -0.63 0.00 0.00 0.00 175.10 174.48 1d1r s ILE 83 N 1.83 1.72 -0.21 2.22 1.01 -0.82 -1.28 121.20 125.68 1d1r s ILE 83 Ca 0.03 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 1d1r s ILE 83 Cb -0.14 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1d1r s ILE 83 CO -0.07 0.48 0.05 -0.70 0.00 0.00 0.00 174.94 174.70 1d1r s GLU 84 N 1.07 3.75 0.01 2.79 2.12 -0.83 -1.41 118.70 126.19 1d1r s GLU 84 Ca -0.03 -0.45 0.06 0.00 0.36 0.00 0.00 54.97 54.90 1d1r s GLU 84 Cb -0.14 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 1d1r s GLU 84 CO -0.05 0.03 -0.16 0.42 -0.54 0.00 0.00 175.26 174.96 1d1r s ILE 85 N 1.01 2.93 -0.28 -3.70 -1.09 -0.80 -3.44 121.20 115.84 1d1r s ILE 85 Ca 0.03 -1.01 -0.04 0.00 -2.23 0.00 0.00 60.65 57.40 1d1r s ILE 85 Cb -0.14 -2.21 0.03 0.00 -1.58 0.00 0.00 42.46 38.56 1d1r s ILE 85 CO 0.03 0.42 0.00 -1.58 -1.23 0.00 0.00 174.94 172.58 1d1r s GLN 86 N -1.21 2.81 0.00 2.79 0.74 -1.26 -2.16 119.66 121.37 1d1r s GLN 86 Ca 0.14 -1.02 0.00 0.00 0.05 0.00 0.00 55.36 54.53 1d1r s GLN 86 Cb -0.11 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.83 1d1r s GLN 86 CO 0.04 -0.48 0.00 0.41 -0.55 0.00 0.00 175.29 174.71 1d1r n GLY 87 N 4.73 -1.04 2.66 2.59 0.00 -1.26 -4.81 105.19 108.06 1d1r n GLY 87 Ca -0.15 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 1d1r n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d1r n ASP 88 N 0.00 -1.33 -2.70 1.61 -0.08 -1.26 -4.50 116.55 108.29 1d1r n ASP 88 Ca 0.00 -0.83 -0.02 0.00 -1.51 0.00 0.00 54.79 52.43 1d1r n ASP 88 Cb 0.00 0.67 0.12 0.00 2.34 0.00 0.00 41.12 44.24 1d1r n ASP 88 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1d1r n LYS 89 N 2.55 1.42 -0.35 -0.67 5.02 -1.26 -4.95 118.16 119.92 1d1r n LYS 89 Ca 0.11 -1.58 0.34 0.00 -2.02 0.00 0.00 58.31 55.16 1d1r n LYS 89 Cb 0.66 0.10 0.71 0.00 -0.02 0.00 0.00 35.03 36.48 1d1r n LYS 89 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1d1r h ARG 90 N 1.27 0.08 0.19 1.97 2.43 -1.99 0.92 114.38 119.25 1d1r h ARG 90 Ca -0.40 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1d1r h ARG 90 Cb 1.29 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 1d1r h ARG 90 CO -0.13 0.05 -0.20 -0.44 -1.51 0.00 0.00 179.97 177.74 1d1r h ASP 91 N 0.08 -0.54 0.03 -3.80 3.32 -2.00 -1.64 116.42 111.86 1d1r h ASP 91 Ca 0.60 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.66 1d1r h ASP 91 Cb 2.22 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.95 1d1r h ASP 91 CO -0.08 -0.30 -0.11 0.25 -1.72 0.00 0.00 179.24 177.28 1d1r h LEU 92 N -0.43 0.19 -0.85 1.55 5.85 -1.25 -2.40 115.31 117.97 1d1r h LEU 92 Ca 0.00 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1d1r h LEU 92 Cb 0.40 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1d1r h LEU 92 CO -0.06 0.33 0.55 -0.07 -0.34 0.00 0.00 178.44 178.86 1d1r h LEU 93 N 0.19 0.93 -1.75 2.25 3.38 -0.69 -0.32 115.31 119.29 1d1r h LEU 93 Ca 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1d1r h LEU 93 Cb 0.33 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1d1r h LEU 93 CO 0.02 0.65 -0.17 0.50 0.09 0.00 0.00 178.44 179.53 1d1r h LYS 94 N 1.09 0.00 0.23 1.13 3.64 -0.84 -1.77 116.57 120.05 1d1r h LYS 94 Ca 0.33 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1d1r h LYS 94 Cb -0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1d1r h LYS 94 CO -0.10 0.17 -0.11 1.03 -2.27 0.00 0.00 179.45 178.16 1d1r h SER 95 N 0.00 -0.27 -0.83 4.20 0.87 -1.02 -1.99 113.55 114.51 1d1r h SER 95 Ca -0.00 0.01 0.23 0.00 -1.23 0.00 0.00 61.79 60.79 1d1r h SER 95 Cb 0.36 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1d1r h SER 95 CO 0.02 0.07 0.58 0.17 -0.53 0.00 0.00 176.83 177.15 1d1r h LEU 96 N -0.84 0.09 0.01 2.23 8.10 -1.35 -0.34 115.31 123.20 1d1r h LEU 96 Ca -0.03 0.01 -0.00 0.00 0.11 0.00 0.00 57.88 57.97 1d1r h LEU 96 Cb 0.24 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.45 1d1r h LEU 96 CO 0.05 0.04 -0.00 0.25 -4.11 0.00 0.00 178.44 174.67 1d1r h LEU 97 N 0.09 -0.01 -0.98 0.17 7.12 -1.34 -2.78 115.31 117.59 1d1r h LEU 97 Ca 0.40 -0.50 0.00 0.00 0.13 0.00 0.00 57.88 57.92 1d1r h LEU 97 Cb 1.45 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.59 1d1r h LEU 97 CO -0.04 0.49 0.00 1.21 -0.13 0.00 0.00 178.44 179.97 1d1r n GLU 98 N -4.85 0.16 0.16 1.25 2.13 -0.29 -1.66 120.64 117.54 1d1r n GLU 98 Ca -0.09 0.51 0.02 0.00 0.66 0.00 0.00 57.16 58.26 1d1r n GLU 98 Cb 0.26 -1.89 0.22 0.00 0.27 0.00 0.00 31.44 30.29 1d1r n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1d1r h ALA 99 N 2.15 0.93 0.00 4.31 0.00 -0.87 -2.85 119.26 122.94 1d1r h ALA 99 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1d1r h ALA 99 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1d1r h ALA 99 CO 0.00 0.65 -0.50 1.63 0.00 0.00 0.00 179.25 181.03 1d1r n LYS 100 N -3.62 0.19 -2.20 0.00 4.01 -0.66 -4.93 118.16 110.94 1d1r n LYS 100 Ca -0.00 0.06 -0.06 0.00 -0.51 0.00 0.00 58.31 57.80 1d1r n LYS 100 Cb 0.59 -1.63 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 1d1r n LYS 100 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1d1r n GLY 101 N 1.39 0.16 3.99 0.72 0.00 -1.08 -5.03 105.19 105.34 1d1r n GLY 101 Ca 0.04 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 1d1r n GLY 101 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1d1r s MET 102 N -4.43 2.96 -0.86 1.61 -1.94 -1.25 -4.98 119.30 110.40 1d1r s MET 102 Ca 0.02 -0.96 -0.21 0.00 -1.71 0.00 0.00 55.69 52.83 1d1r s MET 102 Cb -0.01 -2.72 0.09 0.00 2.01 0.00 0.00 34.83 34.20 1d1r s MET 102 CO 0.03 -0.18 1.16 0.15 -0.01 0.00 0.00 175.02 176.16 1d1r s LYS 103 N -4.36 3.44 0.10 2.03 1.02 -1.00 -4.82 119.74 116.15 1d1r s LYS 103 Ca 0.50 -1.28 -0.26 0.00 0.02 0.00 0.00 55.97 54.94 1d1r s LYS 103 Cb -0.10 -4.78 -0.06 0.00 -0.52 0.00 0.00 37.83 32.37 1d1r s LYS 103 CO 0.34 -1.90 0.82 0.54 -0.92 0.00 0.00 175.35 174.22 1d1r s VAL 104 N 3.73 4.54 -0.73 3.17 0.11 -1.26 -4.09 120.40 125.87 1d1r s VAL 104 Ca 0.33 1.77 -0.09 0.00 -2.93 0.00 0.00 61.98 61.06 1d1r s VAL 104 Cb -0.07 -4.18 0.19 0.00 -1.53 0.00 0.00 36.38 30.79 1d1r s VAL 104 CO -0.03 0.41 0.61 -0.75 -3.33 0.00 0.00 175.10 172.01 1d1r s LYS 105 N -0.42 3.11 -0.72 1.54 2.47 -1.26 -5.00 119.74 119.47 1d1r s LYS 105 Ca 0.40 -2.50 -0.25 0.00 -1.56 0.00 0.00 55.97 52.06 1d1r s LYS 105 Cb -0.22 -4.10 -0.14 0.00 -1.46 0.00 0.00 37.83 31.91 1d1r s LYS 105 CO 0.26 -1.24 2.41 1.28 0.16 0.00 0.00 175.35 178.22 1d1r n LEU 106 N 3.74 1.61 -4.64 5.43 4.77 -1.26 -4.15 117.00 122.49 1d1r n LEU 106 Ca 0.11 -0.98 -0.42 0.00 -0.03 0.00 0.00 56.01 54.68 1d1r n LEU 106 Cb 0.43 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 1d1r n LEU 106 CO 0.34 -2.06 0.79 0.00 -1.33 0.00 0.00 177.39 175.12 1d1r s ALA 107 N 12.36 3.60 0.00 -1.18 0.00 -1.25 -4.97 121.76 130.31 1d1r s ALA 107 Ca 1.01 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1d1r s ALA 107 Cb -0.27 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1d1r s ALA 107 CO 0.21 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1d1r n GLY 108 N 3.76 2.80 0.00 0.00 0.00 -1.26 -4.41 105.19 106.08 1d1r n GLY 108 Ca 0.09 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1d1r n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d1r n GLY 109 N 0.00 2.70 3.56 -0.02 0.00 -1.26 -5.17 105.19 105.00 1d1r n GLY 109 Ca 0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 1d1r n GLY 109 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1d1r s LEU 110 N 0.00 -0.38 0.00 0.99 0.05 -1.26 -5.21 118.68 112.87 1d1r s LEU 110 Ca 0.00 0.32 0.00 0.00 0.05 0.00 0.00 54.13 54.50 1d1r s LEU 110 Cb 0.00 1.93 0.00 0.00 -2.05 0.00 0.00 46.19 46.07 1d1r s LEU 110 CO 0.00 -0.42 0.00 1.21 -0.55 0.00 0.00 176.35 176.59