#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1r s GLY 30 N 0.00 1.46 -0.30 0.72 0.00 -1.26 -5.09 107.32 102.85 1d1r s GLY 30 Ca 0.00 -1.71 -0.18 0.00 0.00 0.00 0.00 44.72 42.83 1d1r s GLY 30 CO 0.00 -1.61 1.23 0.51 0.00 0.00 0.00 173.10 173.23 1d1r s ASP 31 N -3.26 -0.09 0.03 1.64 -4.77 -1.26 -5.12 116.67 103.84 1d1r s ASP 31 Ca 0.28 0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.59 1d1r s ASP 31 Cb 0.06 1.08 0.00 0.00 -1.09 0.00 0.00 42.92 42.97 1d1r s ASP 31 CO 0.08 -0.02 0.00 0.61 0.70 0.00 0.00 175.17 176.54 1d1r n GLY 32 N 5.45 -3.78 2.87 2.12 0.00 -1.26 -4.66 105.19 105.93 1d1r n GLY 32 Ca -0.09 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 1d1r n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1r s VAL 33 N -0.09 -0.22 -0.15 1.61 1.01 -1.26 -2.97 120.40 118.33 1d1r s VAL 33 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 1d1r s VAL 33 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1d1r s VAL 33 CO 0.00 0.13 0.10 -0.69 0.00 0.00 0.00 175.10 174.64 1d1r s VAL 34 N 2.02 5.16 -0.24 2.92 1.01 -1.15 -4.03 120.40 126.10 1d1r s VAL 34 Ca -0.00 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 1d1r s VAL 34 Cb -0.12 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1d1r s VAL 34 CO -0.06 0.54 0.11 -0.60 0.00 0.00 0.00 175.10 175.09 1d1r s ARG 35 N -0.34 3.88 -0.19 2.72 3.52 -1.17 -4.10 118.95 123.27 1d1r s ARG 35 Ca 0.10 -0.37 -0.00 0.00 -0.13 0.00 0.00 55.73 55.33 1d1r s ARG 35 Cb -0.12 -3.42 0.05 0.00 -1.56 0.00 0.00 34.95 29.90 1d1r s ARG 35 CO 0.01 -0.03 -0.04 0.42 -0.81 0.00 0.00 175.30 174.86 1d1r s ILE 36 N 1.24 1.15 -0.18 4.11 1.01 -1.26 -3.34 121.20 123.94 1d1r s ILE 36 Ca 0.06 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 1d1r s ILE 36 Cb -0.14 -1.42 0.06 0.00 0.01 0.00 0.00 42.46 40.97 1d1r s ILE 36 CO 0.05 -0.01 0.05 0.00 0.00 0.00 0.00 174.94 175.03 1d1r s GLN 37 N 1.59 0.47 -0.36 2.79 0.00 -1.26 -4.18 119.66 118.70 1d1r s GLN 37 Ca -0.02 -0.27 -0.28 0.00 -0.00 0.00 0.00 55.36 54.78 1d1r s GLN 37 Cb -0.17 -1.92 -0.01 0.00 0.00 0.00 0.00 33.01 30.91 1d1r s GLN 37 CO -0.07 -0.62 1.70 -0.98 0.00 0.00 0.00 175.29 175.32 1d1r s ARG 38 N 1.95 3.38 -0.06 9.60 1.70 -1.26 -4.29 118.95 129.97 1d1r s ARG 38 Ca 0.00 1.28 -0.12 0.00 -0.47 0.00 0.00 55.73 56.43 1d1r s ARG 38 Cb -0.16 -4.16 -0.05 0.00 -0.57 0.00 0.00 34.95 30.01 1d1r s ARG 38 CO -0.08 -1.80 0.29 -1.14 -1.08 0.00 0.00 175.30 171.49 1d1r s GLN 39 N 5.50 3.77 0.31 3.89 0.74 -1.14 -4.94 119.66 127.79 1d1r s GLN 39 Ca 0.75 0.17 0.08 0.00 0.05 0.00 0.00 55.36 56.41 1d1r s GLN 39 Cb -0.20 -3.23 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 1d1r s GLN 39 CO 0.33 0.68 0.12 0.99 -0.55 0.00 0.00 175.29 176.86 1d1r s THR 40 N -0.90 3.28 -0.00 -0.34 2.01 -1.26 -3.39 115.64 115.03 1d1r s THR 40 Ca 0.20 -1.71 0.00 0.00 0.31 0.00 0.00 61.69 60.48 1d1r s THR 40 Cb -0.15 -2.99 -0.00 0.00 0.01 0.00 0.00 72.50 69.38 1d1r s THR 40 CO 0.09 -0.25 0.00 -0.24 -0.69 0.00 0.00 174.62 173.53 1d1r n SER 41 N -1.10 5.00 0.00 3.53 2.88 -1.26 -5.08 113.62 117.59 1d1r n SER 41 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1d1r n SER 41 Cb 0.60 0.54 0.00 0.00 -0.75 0.00 0.00 64.21 64.60 1d1r n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d1r n GLY 42 N 2.96 2.29 0.72 0.46 0.00 -1.26 -5.16 105.19 105.20 1d1r n GLY 42 Ca -0.00 -0.44 0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.52 -1.68 -1.14 1.61 0.63 -1.26 -4.28 116.66 110.03 1d1r n ARG 43 Ca 0.00 1.37 -0.16 0.00 -0.92 0.00 0.00 57.85 58.15 1d1r n ARG 43 Cb 0.00 -1.96 0.24 0.00 0.45 0.00 0.00 32.46 31.20 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 -3.17 2.97 -0.01 -0.14 5.02 -1.26 -4.17 118.16 117.40 1d1r n LYS 44 Ca -0.05 -3.04 -0.00 0.00 -2.02 0.00 0.00 58.31 53.20 1d1r n LYS 44 Cb 0.34 -2.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.12 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 -0.66 -0.18 3.91 0.72 0.00 -1.26 -5.03 105.19 102.69 1d1r n GLY 45 Ca 0.51 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 46.18 1d1r n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1d1r s LYS 46 N -2.16 3.27 0.00 1.61 2.20 -1.26 -5.08 119.74 118.32 1d1r s LYS 46 Ca -0.02 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1d1r s LYS 46 Cb 0.02 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 1d1r s LYS 46 CO 0.16 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 1d1r n GLY 47 N -2.42 2.69 3.17 5.54 0.00 -1.26 -4.83 105.19 108.07 1d1r n GLY 47 Ca 0.03 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1d1r n GLY 47 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d1r s VAL 48 N -0.95 0.08 -0.18 1.61 -7.23 -1.22 -4.33 120.40 108.18 1d1r s VAL 48 Ca 0.00 -0.67 -0.03 0.00 -1.81 0.00 0.00 61.98 59.47 1d1r s VAL 48 Cb 0.00 -0.61 -0.02 0.00 0.56 0.00 0.00 36.38 36.32 1d1r s VAL 48 CO 0.00 -0.37 -0.05 0.00 -0.31 0.00 0.00 175.10 174.36 1d1r s LEU 50 N 0.81 4.68 -0.24 0.00 1.02 -1.26 -2.03 118.68 121.65 1d1r s LEU 50 Ca -0.02 -1.65 -0.26 0.00 0.02 0.00 0.00 54.13 52.22 1d1r s LEU 50 Cb -0.15 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.27 1d1r s LEU 50 CO 0.02 -0.42 0.92 -0.63 0.02 0.00 0.00 176.35 176.26 1d1r s ILE 51 N 1.22 4.76 0.27 -0.59 -1.09 -0.62 -4.46 121.20 120.69 1d1r s ILE 51 Ca 0.02 1.74 -0.21 0.00 -2.23 0.00 0.00 60.65 59.97 1d1r s ILE 51 Cb -0.21 -4.21 0.02 0.00 -1.58 0.00 0.00 42.46 36.48 1d1r s ILE 51 CO -0.02 -0.15 0.71 0.28 -1.23 0.00 0.00 174.94 174.54 1d1r s THR 52 N 3.03 0.00 0.00 2.92 -1.32 -1.21 -1.91 115.64 117.15 1d1r s THR 52 Ca 0.39 -0.96 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 1d1r s THR 52 Cb -0.15 -1.96 0.00 0.00 -1.51 0.00 0.00 72.50 68.88 1d1r s THR 52 CO 0.07 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 1d1r n GLY 53 N -0.46 0.60 3.69 6.08 0.00 -1.26 -3.04 105.19 110.80 1d1r n GLY 53 Ca -0.05 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 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 5.14 -0.83 1.61 1.01 -1.26 -4.55 120.40 119.51 1d1r s VAL 54 Ca 0.00 0.97 0.01 0.00 0.00 0.00 0.00 61.98 62.96 1d1r s VAL 54 Cb 0.00 -3.84 0.21 0.00 0.00 0.00 0.00 36.38 32.76 1d1r s VAL 54 CO 0.00 0.24 0.74 -0.67 0.00 0.00 0.00 175.10 175.40 1d1r n ASP 55 N 4.31 3.95 -1.24 3.32 2.03 -1.26 -5.01 116.55 122.65 1d1r n ASP 55 Ca -0.06 -3.20 -0.01 0.00 0.52 0.00 0.00 54.79 52.05 1d1r n ASP 55 Cb 0.51 -0.95 -0.00 0.00 -0.72 0.00 0.00 41.12 39.96 1d1r n ASP 55 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1d1r n LEU 56 N 2.03 0.00 -4.67 -2.67 4.77 -1.26 -4.39 117.00 110.81 1d1r n LEU 56 Ca 0.22 -0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.69 1d1r n LEU 56 Cb 0.37 0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.60 1d1r n LEU 56 CO 0.36 -0.02 0.71 -0.67 -1.33 0.00 0.00 177.39 176.43 1d1r n ASP 57 N -2.67 1.24 0.22 -1.43 2.03 -1.26 -4.84 116.55 109.84 1d1r n ASP 57 Ca 0.00 0.75 -0.15 0.00 0.52 0.00 0.00 54.79 55.91 1d1r n ASP 57 Cb 0.03 -1.47 -0.08 0.00 -0.72 0.00 0.00 41.12 38.88 1d1r n ASP 57 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1d1r h ASP 58 N 0.15 -0.55 0.96 1.67 3.58 -2.00 -1.92 116.42 118.32 1d1r h ASP 58 Ca -0.49 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 56.97 1d1r h ASP 58 Cb 1.34 0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.55 1d1r h ASP 58 CO 0.50 -0.35 -0.09 0.00 -2.88 0.00 0.00 179.24 176.42 1d1r h ALA 59 N 0.07 1.02 -0.73 -0.78 0.00 -2.01 -2.99 119.26 113.84 1d1r h ALA 59 Ca -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1d1r h ALA 59 Cb 0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1d1r h ALA 59 CO 0.04 0.12 0.38 1.49 0.00 0.00 0.00 179.25 181.27 1d1r h GLU 60 N 0.00 1.03 0.65 0.00 4.81 -1.70 -2.42 114.58 116.95 1d1r h GLU 60 Ca -0.00 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1d1r h GLU 60 Cb 0.60 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.79 1d1r h GLU 60 CO 0.01 0.79 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.70 1d1r h LEU 61 N 1.01 -0.74 -1.33 1.64 4.07 -1.31 -2.22 115.31 116.44 1d1r h LEU 61 Ca 0.25 0.01 0.29 0.00 0.08 0.00 0.00 57.88 58.51 1d1r h LEU 61 Cb 0.08 0.19 -0.10 0.00 1.08 0.00 0.00 40.66 41.91 1d1r h LEU 61 CO -0.04 -0.49 0.68 0.74 -1.08 0.00 0.00 178.44 178.26 1d1r h THR 62 N -0.92 0.46 0.49 0.22 2.02 -1.61 -1.59 112.91 111.98 1d1r h THR 62 Ca -0.09 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1d1r h THR 62 Cb 0.68 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1d1r h THR 62 CO 0.15 0.07 -0.23 0.50 0.37 0.00 0.00 175.52 176.37 1d1r h LYS 63 N 0.36 -0.63 -0.97 6.66 3.64 -0.90 -2.23 116.57 122.50 1d1r h LYS 63 Ca 0.63 0.04 0.30 0.00 -1.27 0.00 0.00 60.65 60.36 1d1r h LYS 63 Cb 1.64 0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 33.45 1d1r h LYS 63 CO -0.34 -0.42 0.45 1.25 -2.27 0.00 0.00 179.45 178.13 1d1r h LEU 64 N -0.70 0.33 0.62 5.20 6.46 -0.83 0.05 115.31 126.43 1d1r h LEU 64 Ca -0.07 0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1d1r h LEU 64 Cb 0.50 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 1d1r h LEU 64 CO 0.11 -0.16 -0.46 0.00 -0.62 0.00 0.00 178.44 177.30 1d1r h ALA 65 N 1.84 -1.12 0.00 1.25 0.00 -1.11 -0.27 119.26 119.86 1d1r h ALA 65 Ca 0.69 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1d1r h ALA 65 Cb 1.53 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1d1r h ALA 65 CO -0.64 -1.15 0.07 0.00 0.00 0.00 0.00 179.25 177.53 1d1r h ALA 66 N -0.87 1.06 0.03 0.00 0.00 -0.42 -1.39 119.26 117.67 1d1r h ALA 66 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1d1r h ALA 66 Cb 0.87 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1d1r h ALA 66 CO 0.03 -0.06 -0.66 1.49 0.00 0.00 0.00 179.25 180.05 1d1r h GLU 67 N 0.00 0.40 0.00 0.00 4.81 0.09 -3.25 114.58 116.62 1d1r h GLU 67 Ca 0.00 -0.46 -0.13 0.00 -0.13 0.00 0.00 59.36 58.63 1d1r h GLU 67 Cb 0.15 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1d1r h GLU 67 CO 0.00 1.14 -0.64 -0.07 -0.73 0.00 0.00 179.01 178.71 1d1r h LEU 68 N -0.14 0.00 0.00 1.64 -0.00 -0.65 -3.09 115.31 113.07 1d1r h LEU 68 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1d1r h LEU 68 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.05 1d1r h LEU 68 CO 0.13 0.64 0.00 1.17 -0.00 0.00 0.00 178.44 180.38 1d1r n LYS 69 N -3.28 0.23 -0.28 1.13 4.81 -0.61 -1.99 118.16 118.17 1d1r n LYS 69 Ca 0.01 0.13 -0.04 0.00 -0.87 0.00 0.00 58.31 57.54 1d1r n LYS 69 Cb 0.78 -1.50 0.07 0.00 0.02 0.00 0.00 35.03 34.40 1d1r n LYS 69 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1d1r h LYS 70 N 0.00 1.03 -0.27 1.64 1.57 -1.57 -3.36 116.57 115.61 1d1r h LYS 70 Ca 0.00 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 58.48 1d1r h LYS 70 Cb 0.16 -0.23 -0.26 0.00 0.08 0.00 0.00 32.23 31.99 1d1r h LYS 70 CO 0.00 0.69 -0.66 0.36 -0.57 0.00 0.00 179.45 179.27 1d1r n LYS 71 N -4.53 1.40 0.11 3.15 2.85 -1.16 -4.91 118.16 115.07 1d1r n LYS 71 Ca 0.08 -2.27 -0.02 0.00 -1.05 0.00 0.00 58.31 55.04 1d1r n LYS 71 Cb 0.02 -0.47 0.02 0.00 -0.65 0.00 0.00 35.03 33.95 1d1r n LYS 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1d1r n GLY 73 N 1.00 0.92 0.00 0.00 0.00 -1.26 -4.97 105.19 100.89 1d1r n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.47 0.00 0.00 0.00 -1.26 -3.96 107.32 103.57 1d1r s GLY 75 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1d1r s GLY 75 CO 0.00 2.51 0.06 0.61 0.00 0.00 0.00 173.10 176.28 1d1r n GLY 76 N 4.09 -1.83 3.23 0.20 0.00 -1.12 -4.96 105.19 104.80 1d1r n GLY 76 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.34 1.32 -0.00 4.61 0.00 -1.22 -5.02 121.76 119.10 1d1r s ALA 77 Ca 0.00 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.52 1d1r s ALA 77 Cb 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1d1r s ALA 77 CO 0.00 -0.16 -0.11 0.08 0.00 0.00 0.00 175.76 175.57 1d1r s VAL 78 N -3.45 0.83 -0.09 0.00 1.01 -1.26 -1.71 120.40 115.73 1d1r s VAL 78 Ca 0.16 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 1d1r s VAL 78 Cb 0.04 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.74 1d1r s VAL 78 CO -0.00 0.19 0.29 -0.54 0.00 0.00 0.00 175.10 175.04 1d1r s LYS 79 N -0.35 0.39 -0.75 2.72 1.02 -0.45 -5.01 119.74 117.31 1d1r s LYS 79 Ca 0.03 0.30 -0.26 0.00 0.02 0.00 0.00 55.97 56.06 1d1r s LYS 79 Cb -0.04 0.18 -0.12 0.00 -0.52 0.00 0.00 37.83 37.33 1d1r s LYS 79 CO -0.00 -0.06 2.38 -0.51 -0.92 0.00 0.00 175.35 176.24 1d1r s ASP 80 N -0.10 4.02 0.00 2.83 1.01 -1.26 -1.39 116.67 121.79 1d1r s ASP 80 Ca -0.02 0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.40 1d1r s ASP 80 Cb -0.03 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1d1r s ASP 80 CO 0.01 -3.69 0.00 0.61 0.21 0.00 0.00 175.17 172.31 1d1r n GLY 81 N 6.70 3.53 2.82 0.21 0.00 -1.26 -5.09 105.19 112.10 1d1r n GLY 81 Ca 0.45 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.07 -0.01 -0.04 1.61 1.01 -0.48 -4.47 120.40 117.95 1d1r s VAL 82 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1d1r s VAL 82 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.33 1d1r s VAL 82 CO 0.00 0.05 -0.10 -0.63 0.00 0.00 0.00 175.10 174.42 1d1r s ILE 83 N 0.52 0.91 -0.25 2.22 1.01 -0.80 -1.33 121.20 123.46 1d1r s ILE 83 Ca -0.04 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 1d1r s ILE 83 Cb -0.06 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 1d1r s ILE 83 CO -0.01 0.29 0.10 -1.61 0.00 0.00 0.00 174.94 173.70 1d1r s GLU 84 N 0.35 3.75 -0.48 2.79 2.02 -0.69 -1.58 118.70 124.86 1d1r s GLU 84 Ca -0.06 -0.43 0.03 0.00 0.02 0.00 0.00 54.97 54.53 1d1r s GLU 84 Cb -0.11 -3.41 0.13 0.00 0.10 0.00 0.00 34.13 30.84 1d1r s GLU 84 CO 0.01 -0.16 0.23 0.42 0.02 0.00 0.00 175.26 175.78 1d1r s ILE 85 N 1.58 2.25 0.16 -1.63 -1.09 -0.86 -2.78 121.20 118.82 1d1r s ILE 85 Ca 0.06 -2.99 -0.34 0.00 -2.23 0.00 0.00 60.65 55.15 1d1r s ILE 85 Cb -0.15 -2.58 -0.14 0.00 -1.58 0.00 0.00 42.46 38.01 1d1r s ILE 85 CO 0.05 -0.79 1.57 0.00 -1.23 0.00 0.00 174.94 174.54 1d1r n GLN 86 N 3.38 2.13 -2.02 2.79 6.02 -1.25 -3.20 117.38 125.22 1d1r n GLN 86 Ca 0.05 0.77 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 1d1r n GLN 86 Cb 0.34 -2.53 0.00 0.00 1.02 0.00 0.00 30.24 29.07 1d1r n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1d1r n GLY 87 N 3.39 -0.51 2.66 1.08 0.00 -1.26 -4.66 105.19 105.90 1d1r n GLY 87 Ca 0.17 -0.91 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.21 -2.68 1.61 2.03 -1.26 -4.10 116.55 110.94 1d1r n ASP 88 Ca 0.00 -1.66 -0.08 0.00 0.52 0.00 0.00 54.79 53.56 1d1r n ASP 88 Cb 0.00 0.65 0.05 0.00 -0.72 0.00 0.00 41.12 41.09 1d1r n ASP 88 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1d1r n LYS 89 N 1.56 1.18 -0.23 -0.67 5.02 -1.26 -4.92 118.16 118.84 1d1r n LYS 89 Ca 0.01 -3.01 0.31 0.00 -2.02 0.00 0.00 58.31 53.61 1d1r n LYS 89 Cb 0.71 -1.04 0.72 0.00 -0.02 0.00 0.00 35.03 35.40 1d1r n LYS 89 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1d1r h ARG 90 N 2.80 0.00 0.51 1.97 0.11 -1.96 0.27 114.38 118.07 1d1r h ARG 90 Ca -0.14 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.92 1d1r h ARG 90 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1d1r h ARG 90 CO 0.38 0.00 -0.24 0.22 0.10 0.00 0.00 179.97 180.43 1d1r h ASP 91 N 0.00 -0.58 0.24 0.08 3.58 -1.99 -1.83 116.42 115.92 1d1r h ASP 91 Ca 0.48 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.89 1d1r h ASP 91 Cb 2.08 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 43.27 1d1r h ASP 91 CO -0.01 -0.38 -0.21 0.25 -2.88 0.00 0.00 179.24 176.02 1d1r h LEU 92 N -0.72 0.00 -0.53 2.28 6.46 -1.39 -2.56 115.31 118.85 1d1r h LEU 92 Ca -0.07 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1d1r h LEU 92 Cb 0.54 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 1d1r h LEU 92 CO 0.11 0.21 0.28 -0.07 -0.62 0.00 0.00 178.44 178.35 1d1r h LEU 93 N 0.00 0.68 -1.65 2.25 3.38 -0.83 -1.69 115.31 117.44 1d1r h LEU 93 Ca -0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1d1r h LEU 93 Cb 0.38 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1d1r h LEU 93 CO 0.03 0.59 -0.15 0.50 0.09 0.00 0.00 178.44 179.50 1d1r h LYS 94 N 0.71 0.04 0.05 1.13 3.64 -0.93 -1.77 116.57 119.45 1d1r h LYS 94 Ca 0.19 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1d1r h LYS 94 Cb 0.07 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1d1r h LYS 94 CO -0.03 0.19 -0.02 1.03 -2.27 0.00 0.00 179.45 178.34 1d1r h SER 95 N 0.04 -0.06 -1.21 4.20 0.87 -1.23 -2.23 113.55 113.93 1d1r h SER 95 Ca 0.01 0.00 0.36 0.00 -1.23 0.00 0.00 61.79 60.93 1d1r h SER 95 Cb 0.28 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 62.15 1d1r h SER 95 CO 0.02 -0.02 0.79 0.17 -0.53 0.00 0.00 176.83 177.27 1d1r h LEU 96 N -0.12 0.30 0.24 2.23 8.10 -1.39 0.23 115.31 124.89 1d1r h LEU 96 Ca -0.01 0.10 -0.01 0.00 0.11 0.00 0.00 57.88 58.07 1d1r h LEU 96 Cb 0.05 0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.34 1d1r h LEU 96 CO 0.01 -0.05 -0.11 0.25 -4.11 0.00 0.00 178.44 174.43 1d1r h LEU 97 N 0.20 -0.27 -2.00 0.17 6.46 -1.31 -1.73 115.31 116.83 1d1r h LEU 97 Ca 0.71 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.38 1d1r h LEU 97 Cb 2.14 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 42.14 1d1r h LEU 97 CO -0.32 -0.08 0.00 -0.33 -0.62 0.00 0.00 178.44 177.09 1d1r h GLU 98 N -0.45 0.00 -0.63 1.25 5.08 0.06 -1.90 114.58 118.00 1d1r h GLU 98 Ca -0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1d1r h GLU 98 Cb 0.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1d1r h GLU 98 CO 0.05 0.00 0.28 0.00 -1.00 0.00 0.00 179.01 178.35 1d1r h ALA 99 N 2.03 1.32 0.00 3.43 0.00 -0.31 -2.17 119.26 123.55 1d1r h ALA 99 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1d1r h ALA 99 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1d1r h ALA 99 CO 0.00 0.52 -0.73 0.87 0.00 0.00 0.00 179.25 179.92 1d1r h LYS 100 N 0.89 0.00 0.00 0.00 6.56 -1.37 -3.47 116.57 119.17 1d1r h LYS 100 Ca 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.81 1d1r h LYS 100 Cb 0.12 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 1d1r h LYS 100 CO -0.03 0.27 0.00 0.41 -2.06 0.00 0.00 179.45 178.05 1d1r n GLY 101 N 1.24 0.82 3.86 3.86 0.00 -0.82 -5.07 105.19 109.08 1d1r n GLY 101 Ca -0.01 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.66 3.89 0.39 1.61 -1.94 -1.25 -4.97 119.30 116.37 1d1r s MET 102 Ca 0.00 0.60 -0.20 0.00 -1.71 0.00 0.00 55.69 54.38 1d1r s MET 102 Cb 0.00 -2.38 -0.10 0.00 2.01 0.00 0.00 34.83 34.35 1d1r s MET 102 CO 0.00 0.02 0.90 0.15 -0.01 0.00 0.00 175.02 176.08 1d1r s LYS 103 N -3.52 4.22 0.05 2.03 1.02 -1.16 -4.63 119.74 117.76 1d1r s LYS 103 Ca 0.53 1.04 0.01 0.00 0.02 0.00 0.00 55.97 57.58 1d1r s LYS 103 Cb -0.10 -2.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 1d1r s LYS 103 CO 0.25 0.05 -0.06 0.54 -0.92 0.00 0.00 175.35 175.21 1d1r s VAL 104 N -2.07 0.49 -0.59 3.17 0.11 -1.26 -2.92 120.40 117.33 1d1r s VAL 104 Ca 0.59 -1.35 0.04 0.00 -2.93 0.00 0.00 61.98 58.33 1d1r s VAL 104 Cb -0.10 -0.93 0.15 0.00 -1.53 0.00 0.00 36.38 33.96 1d1r s VAL 104 CO 0.15 -0.59 0.36 -0.54 -3.33 0.00 0.00 175.10 171.15 1d1r s LYS 105 N -2.38 2.12 -0.68 1.54 1.02 -1.26 -5.04 119.74 115.06 1d1r s LYS 105 Ca -0.03 -2.88 -0.29 0.00 0.02 0.00 0.00 55.97 52.78 1d1r s LYS 105 Cb -0.04 -3.27 -0.14 0.00 -0.52 0.00 0.00 37.83 33.86 1d1r s LYS 105 CO -0.02 -1.19 2.50 1.28 -0.92 0.00 0.00 175.35 177.00 1d1r n LEU 106 N 2.66 1.45 -4.97 3.17 4.77 -1.26 -4.58 117.00 118.24 1d1r n LEU 106 Ca 0.12 -0.11 -0.25 0.00 -0.03 0.00 0.00 56.01 55.74 1d1r n LEU 106 Cb 0.34 -1.27 0.10 0.00 -2.33 0.00 0.00 43.42 40.26 1d1r n LEU 106 CO 0.30 -1.12 0.59 0.00 -1.33 0.00 0.00 177.39 175.83 1d1r s ALA 107 N 10.27 3.41 0.00 -1.18 0.00 -1.26 -5.04 121.76 127.97 1d1r s ALA 107 Ca 1.15 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1d1r s ALA 107 Cb -0.71 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1d1r s ALA 107 CO 0.39 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 175.07 1d1r n GLY 108 N -2.92 -0.31 0.00 0.00 0.00 -1.26 -4.74 105.19 95.96 1d1r n GLY 108 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 2.45 0.07 -0.02 0.00 -1.26 -5.05 105.19 101.38 1d1r n GLY 109 Ca 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 1d1r n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1d1r n LEU 110 N 0.00 0.00 0.00 0.99 4.32 -1.26 -5.14 117.00 115.91 1d1r n LEU 110 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1d1r n LEU 110 Cb 0.00 0.34 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 1d1r n LEU 110 CO 0.00 0.34 0.00 1.21 -1.22 0.00 0.00 177.39 177.72