#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 -1.87 3.73 0.72 0.00 -1.26 -5.14 105.19 101.37 1d1r n GLY 30 Ca 0.00 1.36 -0.38 0.00 0.00 0.00 0.00 46.02 47.01 1d1r n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d1r s ASP 31 N 0.83 6.64 0.52 1.61 2.15 -1.26 -5.07 116.67 122.09 1d1r s ASP 31 Ca 0.23 0.76 -0.06 0.00 0.43 0.00 0.00 52.55 53.91 1d1r s ASP 31 Cb 0.16 -2.26 -0.03 0.00 -0.30 0.00 0.00 42.92 40.48 1d1r s ASP 31 CO -0.11 0.03 0.83 -0.83 -0.17 0.00 0.00 175.17 174.93 1d1r s GLY 32 N 0.54 1.54 -0.31 2.66 0.00 -1.26 -4.95 107.32 105.54 1d1r s GLY 32 Ca 0.24 -0.51 -0.02 0.00 0.00 0.00 0.00 44.72 44.43 1d1r s GLY 32 CO 0.09 -0.31 0.22 -1.34 0.00 0.00 0.00 173.10 171.76 1d1r s VAL 33 N -2.84 -0.17 0.03 1.40 -7.23 -1.26 -2.08 120.40 108.25 1d1r s VAL 33 Ca 0.50 -0.85 -0.06 0.00 -1.81 0.00 0.00 61.98 59.76 1d1r s VAL 33 Cb -0.10 -0.97 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 1d1r s VAL 33 CO 0.46 -0.68 0.29 -0.69 -0.31 0.00 0.00 175.10 174.17 1d1r s VAL 34 N 1.96 5.27 -0.06 1.32 1.01 -1.22 -4.29 120.40 124.38 1d1r s VAL 34 Ca 0.11 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1d1r s VAL 34 Cb -0.16 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1d1r s VAL 34 CO -0.27 0.31 -0.14 -0.13 0.00 0.00 0.00 175.10 174.88 1d1r s ARG 35 N -1.90 1.83 -0.27 2.72 0.52 -1.26 -2.93 118.95 117.66 1d1r s ARG 35 Ca 0.30 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 55.03 1d1r s ARG 35 Cb -0.13 -1.51 0.07 0.00 0.52 0.00 0.00 34.95 33.91 1d1r s ARG 35 CO 0.18 0.08 -0.01 0.42 0.02 0.00 0.00 175.30 175.99 1d1r s ILE 36 N 0.50 1.56 0.28 1.52 1.09 -1.24 -3.83 121.20 121.07 1d1r s ILE 36 Ca -0.13 -1.47 0.02 0.00 -1.10 0.00 0.00 60.65 57.97 1d1r s ILE 36 Cb -0.15 -1.95 0.02 0.00 -1.06 0.00 0.00 42.46 39.32 1d1r s ILE 36 CO 0.04 -0.30 0.14 0.00 -0.10 0.00 0.00 174.94 174.72 1d1r n GLN 37 N 4.62 1.18 -3.81 2.79 10.64 -1.21 -3.81 117.38 127.77 1d1r n GLN 37 Ca -0.07 -1.83 -0.25 0.00 -1.83 0.00 0.00 57.00 53.02 1d1r n GLN 37 Cb 0.43 0.31 -0.17 0.00 -0.86 0.00 0.00 30.24 29.95 1d1r n GLN 37 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1d1r s ARG 38 N -3.09 0.93 -0.12 2.61 1.70 -1.26 -2.81 118.95 116.91 1d1r s ARG 38 Ca 0.10 -0.13 -0.14 0.00 -0.47 0.00 0.00 55.73 55.09 1d1r s ARG 38 Cb -0.01 -1.42 -0.05 0.00 -0.57 0.00 0.00 34.95 32.91 1d1r s ARG 38 CO 0.07 -0.36 0.34 -1.14 -1.08 0.00 0.00 175.30 173.12 1d1r s GLN 39 N 1.85 4.15 0.13 3.89 0.74 -1.18 -4.97 119.66 124.28 1d1r s GLN 39 Ca 0.04 0.21 0.10 0.00 0.05 0.00 0.00 55.36 55.75 1d1r s GLN 39 Cb -0.13 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 1d1r s GLN 39 CO -0.07 0.35 -0.20 0.95 -0.55 0.00 0.00 175.29 175.77 1d1r s THR 40 N 0.10 2.67 -0.25 -0.34 -4.23 -1.26 -3.96 115.64 108.37 1d1r s THR 40 Ca 0.20 -1.64 0.13 0.00 -1.18 0.00 0.00 61.69 59.20 1d1r s THR 40 Cb -0.14 -2.23 0.59 0.00 1.34 0.00 0.00 72.50 72.06 1d1r s THR 40 CO 0.07 0.06 1.55 -1.20 -0.54 0.00 0.00 174.62 174.56 1d1r n SER 41 N 0.71 3.83 0.00 3.99 7.64 -1.26 -5.04 113.62 123.49 1d1r n SER 41 Ca -0.15 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.46 1d1r n SER 41 Cb 0.53 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1d1r n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1d1r n GLY 42 N -0.56 1.58 3.64 0.23 0.00 -1.26 -5.04 105.19 103.78 1d1r n GLY 42 Ca 0.30 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 1d1r n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d1r s ARG 43 N -1.25 3.88 -0.02 1.61 0.52 -1.26 -4.93 118.95 117.50 1d1r s ARG 43 Ca 0.00 1.81 -0.29 0.00 -0.52 0.00 0.00 55.73 56.73 1d1r s ARG 43 Cb 0.00 -4.03 0.10 0.00 0.52 0.00 0.00 34.95 31.55 1d1r s ARG 43 CO 0.00 -1.19 0.94 -1.59 0.02 0.00 0.00 175.30 173.48 1d1r s LYS 44 N 4.54 0.78 0.06 3.54 -2.85 -1.26 -5.05 119.74 119.51 1d1r s LYS 44 Ca 0.72 -0.31 -0.13 0.00 -1.00 0.00 0.00 55.97 55.26 1d1r s LYS 44 Cb -0.27 0.35 -0.28 0.00 -2.06 0.00 0.00 37.83 35.56 1d1r s LYS 44 CO 0.29 -0.34 1.11 0.78 0.10 0.00 0.00 175.35 177.29 1d1r h GLY 45 N 2.00 0.64 -1.64 0.59 0.00 -2.06 -3.45 103.07 99.14 1d1r h GLY 45 Ca -0.21 -1.37 -0.53 0.00 0.00 0.00 0.00 47.33 45.22 1d1r h GLY 45 CO 0.29 1.20 -0.03 0.28 0.00 0.00 0.00 176.54 178.28 1d1r n LYS 46 N -3.75 -0.21 -3.51 4.80 5.02 -1.26 -4.95 118.16 114.30 1d1r n LYS 46 Ca -0.13 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 1d1r n LYS 46 Cb 0.99 -2.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.25 -0.45 0.23 0.72 0.00 -1.26 -4.99 107.32 99.32 1d1r s GLY 47 Ca 0.65 1.21 0.04 0.00 0.00 0.00 0.00 44.72 46.63 1d1r s GLY 47 CO 0.59 0.53 -0.02 -1.34 0.00 0.00 0.00 173.10 172.86 1d1r s VAL 48 N -2.56 1.15 -0.03 1.40 -7.23 -1.25 -2.79 120.40 109.09 1d1r s VAL 48 Ca 0.02 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1d1r s VAL 48 Cb -0.01 -2.32 0.01 0.00 0.56 0.00 0.00 36.38 34.62 1d1r s VAL 48 CO -0.05 -0.35 -0.07 0.00 -0.31 0.00 0.00 175.10 174.32 1d1r s LEU 50 N 0.37 3.08 -0.25 0.00 1.43 -1.12 -2.17 118.68 120.02 1d1r s LEU 50 Ca -0.05 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1d1r s LEU 50 Cb -0.09 -1.67 0.07 0.00 0.03 0.00 0.00 46.19 44.53 1d1r s LEU 50 CO 0.00 0.35 -0.01 -0.63 0.23 0.00 0.00 176.35 176.29 1d1r s ILE 51 N -0.71 1.29 0.10 -0.59 1.01 -0.81 -3.35 121.20 118.14 1d1r s ILE 51 Ca 0.11 -1.20 -0.15 0.00 0.00 0.00 0.00 60.65 59.41 1d1r s ILE 51 Cb -0.11 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.70 1d1r s ILE 51 CO 0.01 -0.24 0.37 -0.89 0.00 0.00 0.00 174.94 174.19 1d1r s THR 52 N 1.48 0.08 0.00 2.92 2.01 -1.25 -1.85 115.64 119.03 1d1r s THR 52 Ca -0.01 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1d1r s THR 52 Cb -0.18 -1.14 0.00 0.00 0.01 0.00 0.00 72.50 71.19 1d1r s THR 52 CO -0.09 -0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.09 1d1r n GLY 53 N -0.03 1.18 3.71 4.40 0.00 -1.26 -4.22 105.19 108.97 1d1r n GLY 53 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 4.07 -0.85 1.61 1.01 -1.26 -4.60 120.40 118.38 1d1r s VAL 54 Ca 0.00 1.50 -0.09 0.00 0.00 0.00 0.00 61.98 63.40 1d1r s VAL 54 Cb 0.00 -3.96 0.22 0.00 0.00 0.00 0.00 36.38 32.63 1d1r s VAL 54 CO 0.00 0.13 0.76 -0.62 0.00 0.00 0.00 175.10 175.37 1d1r s ASP 55 N 0.97 6.40 0.03 3.32 2.15 -1.26 -4.99 116.67 123.29 1d1r s ASP 55 Ca 0.58 -3.06 0.00 0.00 0.43 0.00 0.00 52.55 50.50 1d1r s ASP 55 Cb -0.29 -2.08 -0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1d1r s ASP 55 CO 0.30 -0.41 0.01 0.18 -0.17 0.00 0.00 175.17 175.08 1d1r n LEU 56 N 3.37 0.00 0.00 -1.34 4.77 -1.26 -4.59 117.00 117.95 1d1r n LEU 56 Ca 0.16 -0.21 -0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1d1r n LEU 56 Cb 0.42 0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1d1r n LEU 56 CO 0.36 -0.03 0.15 0.44 -1.33 0.00 0.00 177.39 176.98 1d1r h ASP 57 N 0.12 -0.00 0.00 -1.43 5.19 -1.97 -3.50 116.42 114.82 1d1r h ASP 57 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1d1r h ASP 57 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1d1r h ASP 57 CO 0.03 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.62 1d1r n ASP 58 N -2.03 0.00 0.17 6.45 8.00 -1.26 -4.94 116.55 122.94 1d1r n ASP 58 Ca -0.00 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 1d1r n ASP 58 Cb 0.00 0.00 0.43 0.00 -0.02 0.00 0.00 41.12 41.53 1d1r n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1d1r h ALA 59 N 0.00 1.55 -0.35 2.24 0.00 -2.01 -2.24 119.26 118.46 1d1r h ALA 59 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1d1r h ALA 59 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1d1r h ALA 59 CO 0.00 0.33 -0.12 0.93 0.00 0.00 0.00 179.25 180.38 1d1r h GLU 60 N 0.10 0.60 -0.65 0.00 4.39 -1.98 -2.64 114.58 114.39 1d1r h GLU 60 Ca 0.02 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 1d1r h GLU 60 Cb 0.41 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1d1r h GLU 60 CO 0.03 0.71 0.18 -0.07 -1.16 0.00 0.00 179.01 178.70 1d1r h LEU 61 N 0.55 0.95 -0.05 1.33 3.38 -1.79 -2.16 115.31 117.53 1d1r h LEU 61 Ca 0.10 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1d1r h LEU 61 Cb 0.54 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1d1r h LEU 61 CO 0.03 0.90 0.02 0.74 0.09 0.00 0.00 178.44 180.22 1d1r h THR 62 N 0.97 1.00 -0.70 0.22 2.02 -1.39 -2.01 112.91 113.01 1d1r h THR 62 Ca 0.21 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.39 1d1r h THR 62 Cb 0.31 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1d1r h THR 62 CO -0.00 0.01 0.47 0.50 0.37 0.00 0.00 175.52 176.86 1d1r h LYS 63 N 0.05 0.90 0.33 6.66 3.64 -1.36 -1.81 116.57 124.98 1d1r h LYS 63 Ca 0.02 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1d1r h LYS 63 Cb 0.00 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1d1r h LYS 63 CO -0.02 0.60 -0.19 1.25 -2.27 0.00 0.00 179.45 178.82 1d1r h LEU 64 N 0.93 -0.46 -1.77 5.20 7.12 -0.72 -1.41 115.31 124.19 1d1r h LEU 64 Ca 0.26 0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.32 1d1r h LEU 64 Cb -0.07 0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.18 1d1r h LEU 64 CO -0.06 -0.31 0.20 0.00 -0.13 0.00 0.00 178.44 178.14 1d1r h ALA 65 N 0.17 1.91 -0.54 1.25 0.00 -1.02 -0.71 119.26 120.32 1d1r h ALA 65 Ca -0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1d1r h ALA 65 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1d1r h ALA 65 CO 0.05 0.06 0.11 0.00 0.00 0.00 0.00 179.25 179.46 1d1r h ALA 66 N 1.83 0.71 0.00 0.00 0.00 -0.55 -2.15 119.26 119.10 1d1r h ALA 66 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1d1r h ALA 66 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1d1r h ALA 66 CO -0.03 0.43 0.00 1.49 0.00 0.00 0.00 179.25 181.15 1d1r h GLU 67 N 0.77 0.00 0.15 0.00 4.81 -0.28 -2.89 114.58 117.14 1d1r h GLU 67 Ca 0.17 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1d1r h GLU 67 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1d1r h GLU 67 CO 0.01 0.00 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.15 1d1r h LEU 68 N 0.00 -0.17 -2.03 1.64 -0.00 -0.56 -3.14 115.31 111.05 1d1r h LEU 68 Ca 0.00 -0.38 -0.01 0.00 -0.00 0.00 0.00 57.88 57.49 1d1r h LEU 68 Cb 0.77 0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 41.48 1d1r h LEU 68 CO 0.00 0.38 -0.04 0.07 -0.00 0.00 0.00 178.44 178.85 1d1r h LYS 69 N -0.81 0.00 -0.54 1.13 2.10 -1.47 -2.54 116.57 114.45 1d1r h LYS 69 Ca -0.02 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.67 1d1r h LYS 69 Cb 0.54 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.84 1d1r h LYS 69 CO 0.03 0.04 0.36 0.87 -2.00 0.00 0.00 179.45 178.75 1d1r h LYS 70 N 0.00 0.57 0.00 0.07 1.57 -1.45 -2.59 116.57 114.73 1d1r h LYS 70 Ca -0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1d1r h LYS 70 Cb 0.32 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1d1r h LYS 70 CO 0.01 0.38 -0.20 1.17 -0.57 0.00 0.00 179.45 180.23 1d1r n LYS 71 N -4.47 1.40 -0.05 3.15 4.81 -0.99 -4.63 118.16 117.38 1d1r n LYS 71 Ca 0.07 -2.86 -0.03 0.00 -0.87 0.00 0.00 58.31 54.62 1d1r n LYS 71 Cb 0.17 -1.54 -0.10 0.00 0.02 0.00 0.00 35.03 33.58 1d1r n LYS 71 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1d1r n GLY 73 N 2.07 -0.60 0.00 0.00 0.00 -1.21 -5.00 105.19 100.45 1d1r n GLY 73 Ca -0.16 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 2.93 -0.09 0.00 0.00 -1.26 -4.75 107.32 104.15 1d1r s GLY 75 Ca 0.00 -3.73 -0.22 0.00 0.00 0.00 0.00 44.72 40.77 1d1r s GLY 75 CO 0.00 1.14 0.78 -1.33 0.00 0.00 0.00 173.10 173.69 1d1r h GLY 76 N 6.00 -0.08 0.00 0.20 0.00 -1.93 -3.48 103.07 103.77 1d1r h GLY 76 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1d1r h GLY 76 CO 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 176.54 177.30 1d1r n ALA 77 N -2.58 0.00 -3.82 3.60 0.00 -1.21 -5.04 120.51 111.46 1d1r n ALA 77 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1d1r n ALA 77 Cb 0.31 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.59 1d1r n ALA 77 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1d1r s VAL 78 N 0.00 1.27 0.02 0.00 1.01 -1.26 -1.24 120.40 120.21 1d1r s VAL 78 Ca 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1d1r s VAL 78 Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1d1r s VAL 78 CO 0.00 0.40 -0.12 -0.54 0.00 0.00 0.00 175.10 174.85 1d1r s LYS 79 N 1.36 0.85 -0.25 2.72 1.02 -0.46 -5.03 119.74 119.96 1d1r s LYS 79 Ca -0.00 -0.60 -0.29 0.00 0.02 0.00 0.00 55.97 55.10 1d1r s LYS 79 Cb -0.14 -0.82 -0.06 0.00 -0.52 0.00 0.00 37.83 36.29 1d1r s LYS 79 CO -0.06 0.21 2.23 -0.25 -0.92 0.00 0.00 175.35 176.56 1d1r n ASP 80 N 2.24 3.06 0.00 2.83 9.92 -1.26 -1.17 116.55 132.17 1d1r n ASP 80 Ca -0.17 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1d1r n ASP 80 Cb 0.55 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.52 1d1r n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d1r n GLY 81 N 5.90 2.63 2.81 0.44 0.00 -1.26 -5.05 105.19 110.67 1d1r n GLY 81 Ca 0.32 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.18 -0.04 0.09 1.61 1.01 -0.32 -4.57 120.40 118.00 1d1r s VAL 82 Ca 0.00 0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.22 1d1r s VAL 82 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 1d1r s VAL 82 CO 0.00 0.06 -0.24 -0.63 0.00 0.00 0.00 175.10 174.29 1d1r s ILE 83 N 0.75 1.95 -0.02 2.22 1.01 -0.77 -1.35 121.20 124.99 1d1r s ILE 83 Ca -0.06 -1.54 0.01 0.00 0.00 0.00 0.00 60.65 59.06 1d1r s ILE 83 Cb -0.09 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.66 1d1r s ILE 83 CO -0.02 0.09 -0.05 -0.70 0.00 0.00 0.00 174.94 174.27 1d1r s GLU 84 N -1.75 0.58 0.10 2.79 2.12 -0.37 -1.93 118.70 120.24 1d1r s GLU 84 Ca 0.10 -0.13 0.09 0.00 0.36 0.00 0.00 54.97 55.39 1d1r s GLU 84 Cb -0.10 -0.60 -0.04 0.00 0.26 0.00 0.00 34.13 33.66 1d1r s GLU 84 CO 0.04 0.02 -0.23 0.42 -0.54 0.00 0.00 175.26 174.97 1d1r s ILE 85 N 0.39 2.52 -0.22 -3.70 -1.09 -0.92 -3.33 121.20 114.85 1d1r s ILE 85 Ca -0.05 -1.54 -0.05 0.00 -2.23 0.00 0.00 60.65 56.79 1d1r s ILE 85 Cb -0.08 -2.11 -0.02 0.00 -1.58 0.00 0.00 42.46 38.67 1d1r s ILE 85 CO -0.00 0.17 -0.00 -1.58 -1.23 0.00 0.00 174.94 172.29 1d1r s GLN 86 N -1.89 3.53 0.00 2.79 0.74 -1.26 -2.71 119.66 120.87 1d1r s GLN 86 Ca 0.15 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 55.01 1d1r s GLN 86 Cb -0.10 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 30.91 1d1r s GLN 86 CO 0.07 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.11 1d1r n GLY 87 N 4.58 3.73 3.37 2.59 0.00 -1.12 -4.90 105.19 113.45 1d1r n GLY 87 Ca -0.17 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 1d1r n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d1r s ASP 88 N 0.00 5.82 -0.05 1.61 2.15 -1.25 -4.18 116.67 120.77 1d1r s ASP 88 Ca 0.00 -1.08 0.03 0.00 0.43 0.00 0.00 52.55 51.93 1d1r s ASP 88 Cb 0.00 -2.05 0.08 0.00 -0.30 0.00 0.00 42.92 40.65 1d1r s ASP 88 CO 0.00 -0.44 1.08 0.29 -0.17 0.00 0.00 175.17 175.93 1d1r n LYS 89 N 5.03 0.19 0.03 4.34 5.02 -1.26 -4.93 118.16 126.58 1d1r n LYS 89 Ca -0.11 -1.10 0.21 0.00 -2.02 0.00 0.00 58.31 55.28 1d1r n LYS 89 Cb 0.45 0.44 0.73 0.00 -0.02 0.00 0.00 35.03 36.64 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 0.21 0.00 0.18 1.97 2.43 -1.94 -0.85 114.38 116.37 1d1r h ARG 90 Ca -0.53 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 1d1r h ARG 90 Cb 1.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1d1r h ARG 90 CO -0.25 0.00 -0.09 0.22 -1.51 0.00 0.00 179.97 178.34 1d1r h ASP 91 N 0.00 -0.21 0.86 -3.80 3.58 -1.97 -1.95 116.42 112.94 1d1r h ASP 91 Ca 0.24 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 1d1r h ASP 91 Cb 1.11 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 1d1r h ASP 91 CO -0.00 -0.14 -0.21 0.25 -2.88 0.00 0.00 179.24 176.25 1d1r h LEU 92 N -0.24 0.00 -0.17 2.28 6.46 -1.60 -3.07 115.31 118.96 1d1r h LEU 92 Ca -0.02 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1d1r h LEU 92 Cb 0.19 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 1d1r h LEU 92 CO 0.04 0.21 0.06 -0.07 -0.62 0.00 0.00 178.44 178.07 1d1r h LEU 93 N 0.00 0.24 -2.43 2.25 3.38 -0.62 -1.73 115.31 116.40 1d1r h LEU 93 Ca -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1d1r h LEU 93 Cb 0.70 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1d1r h LEU 93 CO 0.03 0.35 -0.03 0.50 0.09 0.00 0.00 178.44 179.38 1d1r h LYS 94 N 0.11 0.00 0.08 1.13 3.64 -1.29 -2.02 116.57 118.22 1d1r h LYS 94 Ca 0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1d1r h LYS 94 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1d1r h LYS 94 CO -0.00 0.03 -0.04 1.03 -2.27 0.00 0.00 179.45 178.20 1d1r h SER 95 N 0.00 -0.09 -1.09 4.20 0.87 -1.35 -1.87 113.55 114.22 1d1r h SER 95 Ca -0.00 0.00 0.30 0.00 -1.23 0.00 0.00 61.79 60.86 1d1r h SER 95 Cb 0.12 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 62.01 1d1r h SER 95 CO 0.00 0.13 0.71 0.17 -0.53 0.00 0.00 176.83 177.31 1d1r h LEU 96 N -0.49 0.39 -0.23 2.23 8.10 -1.29 0.31 115.31 124.33 1d1r h LEU 96 Ca -0.01 0.09 -0.09 0.00 0.11 0.00 0.00 57.88 57.98 1d1r h LEU 96 Cb 0.08 0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.33 1d1r h LEU 96 CO 0.02 0.03 -0.21 0.25 -4.11 0.00 0.00 178.44 174.43 1d1r h LEU 97 N 0.32 0.58 -2.79 0.17 5.85 -1.44 -2.64 115.31 115.36 1d1r h LEU 97 Ca 0.63 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1d1r h LEU 97 Cb 1.73 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 1d1r h LEU 97 CO -0.31 0.93 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.64 1d1r h GLU 98 N 0.25 0.00 -0.19 1.25 4.81 0.46 -1.24 114.58 119.91 1d1r h GLU 98 Ca 0.04 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1d1r h GLU 98 Cb 0.75 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1d1r h GLU 98 CO 0.05 0.00 -0.02 0.00 -0.73 0.00 0.00 179.01 178.31 1d1r h ALA 99 N 2.00 1.61 0.00 2.92 0.00 -0.92 -1.39 119.26 123.48 1d1r h ALA 99 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1d1r h ALA 99 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1d1r h ALA 99 CO 0.00 0.29 -0.39 0.87 0.00 0.00 0.00 179.25 180.01 1d1r h LYS 100 N 0.27 0.00 -0.44 0.00 6.56 -1.34 -3.47 116.57 118.16 1d1r h LYS 100 Ca 0.06 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.56 1d1r h LYS 100 Cb 0.23 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.86 1d1r h LYS 100 CO 0.01 0.00 -0.10 0.41 -2.06 0.00 0.00 179.45 177.70 1d1r n GLY 101 N 1.21 0.48 3.90 3.86 0.00 -0.53 -5.03 105.19 109.09 1d1r n GLY 101 Ca 0.03 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.26 0.24 -0.90 1.61 -1.94 -1.26 -4.98 119.30 108.81 1d1r s MET 102 Ca 0.00 -0.47 -0.14 0.00 -1.71 0.00 0.00 55.69 53.37 1d1r s MET 102 Cb 0.00 -1.81 0.21 0.00 2.01 0.00 0.00 34.83 35.24 1d1r s MET 102 CO 0.00 -2.67 0.92 0.15 -0.01 0.00 0.00 175.02 173.41 1d1r s LYS 103 N -5.90 3.70 0.69 2.03 1.02 -0.89 -4.93 119.74 115.46 1d1r s LYS 103 Ca 0.76 -2.41 -0.10 0.00 0.02 0.00 0.00 55.97 54.23 1d1r s LYS 103 Cb -0.03 -4.58 0.02 0.00 -0.52 0.00 0.00 37.83 32.72 1d1r s LYS 103 CO 0.54 -1.41 1.05 0.08 -0.92 0.00 0.00 175.35 174.69 1d1r s VAL 104 N 0.60 3.40 -0.11 3.17 1.01 -1.26 -3.38 120.40 123.82 1d1r s VAL 104 Ca 0.24 0.32 0.16 0.00 0.00 0.00 0.00 61.98 62.70 1d1r s VAL 104 Cb -0.09 -3.43 0.38 0.00 0.00 0.00 0.00 36.38 33.24 1d1r s VAL 104 CO -0.09 -0.53 1.18 1.17 0.00 0.00 0.00 175.10 176.83 1d1r n LYS 105 N -2.93 0.85 0.00 2.72 4.81 -1.15 -4.94 118.16 117.53 1d1r n LYS 105 Ca 0.06 -2.58 0.00 0.00 -0.87 0.00 0.00 58.31 54.93 1d1r n LYS 105 Cb 0.58 -0.93 0.00 0.00 0.02 0.00 0.00 35.03 34.70 1d1r n LYS 105 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1d1r n LEU 106 N -0.47 0.00 -0.09 3.14 -0.00 -1.26 -4.15 117.00 114.16 1d1r n LEU 106 Ca 0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 56.01 1d1r n LEU 106 Cb 0.85 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 44.13 1d1r n LEU 106 CO -0.03 -0.08 -1.12 0.00 -0.00 0.00 0.00 177.39 176.16 1d1r n ALA 107 N 1.69 1.46 -3.65 1.96 0.00 -1.25 -3.65 120.51 117.07 1d1r n ALA 107 Ca 0.00 -1.19 -0.22 0.00 0.00 0.00 0.00 53.44 52.03 1d1r n ALA 107 Cb 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 19.45 19.03 1d1r n ALA 107 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1d1r s GLY 108 N -5.70 0.56 -0.03 0.00 0.00 -1.26 -4.82 107.32 96.07 1d1r s GLY 108 Ca -0.16 -0.19 0.07 0.00 0.00 0.00 0.00 44.72 44.44 1d1r s GLY 108 CO 0.77 0.52 0.10 0.61 0.00 0.00 0.00 173.10 175.10 1d1r n GLY 109 N 4.26 -0.32 2.64 0.20 0.00 -1.26 -4.95 105.19 105.75 1d1r n GLY 109 Ca -0.21 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 1d1r n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d1r s LEU 110 N -3.88 0.26 0.00 0.99 1.43 -1.26 -5.21 118.68 111.01 1d1r s LEU 110 Ca -0.03 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1d1r s LEU 110 Cb 0.04 -0.17 0.00 0.00 0.03 0.00 0.00 46.19 46.08 1d1r s LEU 110 CO 0.28 -0.32 0.00 1.21 0.23 0.00 0.00 176.35 177.75