#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 -0.63 0.00 0.72 0.00 -1.26 -5.03 105.19 98.99 1d1r n GLY 30 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1d1r n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d1r n ASP 31 N 0.00 0.00 -4.40 1.61 2.03 -1.26 -5.14 116.55 109.39 1d1r n ASP 31 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 1d1r n ASP 31 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 1d1r n ASP 31 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1d1r s GLY 32 N -0.81 1.63 -0.28 0.27 0.00 -1.26 -4.81 107.32 102.06 1d1r s GLY 32 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1d1r s GLY 32 CO 0.00 -1.55 0.50 -1.34 0.00 0.00 0.00 173.10 170.71 1d1r s VAL 33 N -1.38 -0.82 0.08 1.40 -7.23 -1.26 -3.19 120.40 108.00 1d1r s VAL 33 Ca 0.17 -0.07 -0.18 0.00 -1.81 0.00 0.00 61.98 60.09 1d1r s VAL 33 Cb -0.09 -0.94 -0.07 0.00 0.56 0.00 0.00 36.38 35.84 1d1r s VAL 33 CO 0.08 -0.08 0.55 -0.69 -0.31 0.00 0.00 175.10 174.65 1d1r s VAL 34 N 2.71 4.78 -0.38 1.32 1.01 -1.24 -3.54 120.40 125.05 1d1r s VAL 34 Ca 0.15 1.13 -0.09 0.00 0.00 0.00 0.00 61.98 63.17 1d1r s VAL 34 Cb -0.14 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.43 1d1r s VAL 34 CO -0.22 0.52 0.20 -0.60 0.00 0.00 0.00 175.10 175.00 1d1r s ARG 35 N -1.22 2.68 -0.22 2.72 3.52 -1.23 -3.39 118.95 121.81 1d1r s ARG 35 Ca 0.30 -1.26 -0.09 0.00 -0.13 0.00 0.00 55.73 54.54 1d1r s ARG 35 Cb -0.19 -3.68 -0.05 0.00 -1.56 0.00 0.00 34.95 29.48 1d1r s ARG 35 CO 0.18 -0.79 0.13 0.42 -0.81 0.00 0.00 175.30 174.43 1d1r s ILE 36 N 1.46 5.15 0.30 4.11 1.01 -1.26 -3.71 121.20 128.26 1d1r s ILE 36 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1d1r s ILE 36 Cb -0.21 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 38.88 1d1r s ILE 36 CO 0.04 0.38 0.38 0.00 0.00 0.00 0.00 174.94 175.74 1d1r n GLN 37 N 4.09 0.55 -3.75 2.79 10.64 -1.20 -2.45 117.38 128.05 1d1r n GLN 37 Ca -0.16 -2.54 -0.26 0.00 -1.83 0.00 0.00 57.00 52.22 1d1r n GLN 37 Cb 0.52 2.35 -0.17 0.00 -0.86 0.00 0.00 30.24 32.08 1d1r n GLN 37 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1d1r s ARG 38 N -2.80 0.66 -0.12 2.61 3.52 -1.25 -3.10 118.95 118.46 1d1r s ARG 38 Ca 0.27 -0.20 -0.22 0.00 -0.13 0.00 0.00 55.73 55.45 1d1r s ARG 38 Cb -0.00 -1.64 -0.03 0.00 -1.56 0.00 0.00 34.95 31.72 1d1r s ARG 38 CO 0.20 -0.49 0.66 -1.14 -0.81 0.00 0.00 175.30 173.72 1d1r s GLN 39 N 1.90 4.35 0.47 5.12 2.00 -1.19 -4.96 119.66 127.35 1d1r s GLN 39 Ca 0.02 0.76 -0.05 0.00 -2.00 0.00 0.00 55.36 54.09 1d1r s GLN 39 Cb -0.15 -3.50 -0.04 0.00 0.80 0.00 0.00 33.01 30.13 1d1r s GLN 39 CO -0.07 -0.05 0.77 0.95 -0.50 0.00 0.00 175.29 176.39 1d1r s THR 40 N 1.23 4.91 -0.02 -0.34 -4.23 -1.26 -4.22 115.64 111.71 1d1r s THR 40 Ca 0.34 0.19 0.09 0.00 -1.18 0.00 0.00 61.69 61.12 1d1r s THR 40 Cb -0.17 -3.86 0.16 0.00 1.34 0.00 0.00 72.50 69.98 1d1r s THR 40 CO 0.14 -0.81 1.08 -0.24 -0.54 0.00 0.00 174.62 174.25 1d1r n SER 41 N -2.17 -0.37 0.00 3.99 2.88 -1.26 -5.10 113.62 111.59 1d1r n SER 41 Ca 0.00 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 1d1r n SER 41 Cb 0.55 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 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 0.06 4.48 3.53 0.46 0.00 -1.26 -5.01 105.19 107.44 1d1r n GLY 42 Ca -0.17 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 1d1r n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d1r n ARG 43 N -1.56 3.26 0.04 1.61 1.74 -1.26 -4.02 116.66 116.48 1d1r n ARG 43 Ca 0.00 -3.47 0.00 0.00 -0.77 0.00 0.00 57.85 53.61 1d1r n ARG 43 Cb 0.00 -3.34 0.00 0.00 -1.02 0.00 0.00 32.46 28.10 1d1r n ARG 43 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1d1r n LYS 44 N 7.39 0.00 0.00 5.56 5.02 -1.26 -5.15 118.16 129.72 1d1r n LYS 44 Ca 0.45 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1d1r n LYS 44 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 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 -1.19 1.51 3.28 0.72 0.00 -1.26 -5.07 105.19 103.18 1d1r n GLY 45 Ca 0.00 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -1.77 -4.35 1.61 4.76 -1.26 -4.70 118.16 112.45 1d1r n LYS 46 Ca 0.00 1.46 -0.32 0.00 -2.87 0.00 0.00 58.31 56.58 1d1r n LYS 46 Cb 0.00 -4.15 -0.09 0.00 -1.84 0.00 0.00 35.03 28.94 1d1r n LYS 46 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1d1r s GLY 47 N -2.59 1.82 0.02 0.72 0.00 -1.26 -4.42 107.32 101.61 1d1r s GLY 47 Ca 0.14 -0.98 -0.07 0.00 0.00 0.00 0.00 44.72 43.81 1d1r s GLY 47 CO 0.82 -0.85 0.12 -1.34 0.00 0.00 0.00 173.10 171.85 1d1r s VAL 48 N -1.05 0.10 -0.27 1.40 -7.23 -1.26 -4.75 120.40 107.35 1d1r s VAL 48 Ca 0.18 -0.85 -0.06 0.00 -1.81 0.00 0.00 61.98 59.45 1d1r s VAL 48 Cb -0.11 -0.62 0.00 0.00 0.56 0.00 0.00 36.38 36.21 1d1r s VAL 48 CO 0.09 -0.47 0.04 0.00 -0.31 0.00 0.00 175.10 174.45 1d1r s LEU 50 N 1.49 4.33 -0.05 0.00 1.02 -1.18 -2.03 118.68 122.26 1d1r s LEU 50 Ca 0.03 0.53 -0.00 0.00 0.02 0.00 0.00 54.13 54.71 1d1r s LEU 50 Cb -0.16 -2.99 0.03 0.00 0.02 0.00 0.00 46.19 43.08 1d1r s LEU 50 CO 0.01 0.15 -0.01 -0.63 0.02 0.00 0.00 176.35 175.89 1d1r s ILE 51 N -1.48 0.34 0.25 -0.59 -1.09 -0.42 -3.26 121.20 114.95 1d1r s ILE 51 Ca 0.34 0.05 -0.19 0.00 -2.23 0.00 0.00 60.65 58.62 1d1r s ILE 51 Cb -0.13 -0.44 0.02 0.00 -1.58 0.00 0.00 42.46 40.33 1d1r s ILE 51 CO 0.22 0.21 0.65 0.28 -1.23 0.00 0.00 174.94 175.06 1d1r s THR 52 N 1.37 0.00 0.00 2.92 -1.32 -1.24 -1.97 115.64 115.40 1d1r s THR 52 Ca -0.04 -0.95 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1d1r s THR 52 Cb -0.13 -1.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.97 1d1r s THR 52 CO -0.02 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 1d1r n GLY 53 N -0.43 3.12 3.45 6.08 0.00 -1.26 -3.49 105.19 112.67 1d1r n GLY 53 Ca -0.05 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.49 1d1r n GLY 53 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1d1r n VAL 54 N -1.04 0.10 -3.31 1.61 3.14 -1.23 -4.84 118.33 112.75 1d1r n VAL 54 Ca 0.00 -0.27 -0.44 0.00 -2.96 0.00 0.00 64.34 60.66 1d1r n VAL 54 Cb 0.00 -1.53 -0.00 0.00 -1.06 0.00 0.00 33.84 31.25 1d1r n VAL 54 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1d1r n ASP 55 N 10.63 5.58 -1.95 6.55 9.92 -1.26 -4.98 116.55 141.03 1d1r n ASP 55 Ca 0.46 -3.09 -0.08 0.00 -0.53 0.00 0.00 54.79 51.55 1d1r n ASP 55 Cb 0.22 -1.35 -0.03 0.00 -0.64 0.00 0.00 41.12 39.32 1d1r n ASP 55 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1d1r n LEU 56 N 2.50 0.00 -4.76 0.64 4.77 -1.26 -4.74 117.00 114.15 1d1r n LEU 56 Ca 0.24 -1.16 -0.41 0.00 -0.03 0.00 0.00 56.01 54.65 1d1r n LEU 56 Cb 0.38 0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 42.01 1d1r n LEU 56 CO 0.49 -0.19 0.98 -0.62 -1.33 0.00 0.00 177.39 176.72 1d1r s ASP 57 N -1.87 6.83 0.51 -1.43 -1.08 -1.26 -4.86 116.67 113.51 1d1r s ASP 57 Ca 0.13 2.59 0.30 0.00 -0.52 0.00 0.00 52.55 55.05 1d1r s ASP 57 Cb 0.01 -2.64 1.42 0.00 -1.46 0.00 0.00 42.92 40.25 1d1r s ASP 57 CO 0.09 -0.51 1.85 0.44 0.52 0.00 0.00 175.17 177.56 1d1r h ASP 58 N 4.03 0.10 -0.47 -0.34 5.19 -1.99 0.26 116.42 123.19 1d1r h ASP 58 Ca -0.47 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 55.90 1d1r h ASP 58 Cb 1.22 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 1d1r h ASP 58 CO 0.69 0.03 0.10 0.00 -3.12 0.00 0.00 179.24 176.95 1d1r h ALA 59 N 1.53 0.62 -0.32 3.45 0.00 -2.00 -2.59 119.26 119.94 1d1r h ALA 59 Ca 0.49 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1d1r h ALA 59 Cb 1.78 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1d1r h ALA 59 CO -0.06 0.31 -0.15 0.93 0.00 0.00 0.00 179.25 180.29 1d1r h GLU 60 N 0.63 0.57 -0.39 0.00 5.08 -0.86 -2.00 114.58 117.61 1d1r h GLU 60 Ca 0.15 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1d1r h GLU 60 Cb 0.34 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1d1r h GLU 60 CO 0.00 0.70 0.25 -0.07 -1.00 0.00 0.00 179.01 178.89 1d1r h LEU 61 N 0.52 0.42 -1.24 1.33 4.07 -1.05 -1.00 115.31 118.36 1d1r h LEU 61 Ca 0.09 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 1d1r h LEU 61 Cb 0.56 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 1d1r h LEU 61 CO 0.04 0.30 -0.12 0.71 -1.08 0.00 0.00 178.44 178.28 1d1r h THR 62 N 0.50 0.31 -0.20 0.22 1.35 -1.25 -2.00 112.91 111.83 1d1r h THR 62 Ca 0.15 -0.85 -0.15 0.00 -0.55 0.00 0.00 66.41 65.01 1d1r h THR 62 Cb -0.03 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1d1r h THR 62 CO -0.05 0.12 -0.47 0.11 -0.25 0.00 0.00 175.52 174.99 1d1r h LYS 63 N 0.00 0.67 -0.03 4.72 1.79 -0.46 -2.28 116.57 120.98 1d1r h LYS 63 Ca -0.00 -0.45 -0.20 0.00 -2.18 0.00 0.00 60.65 57.82 1d1r h LYS 63 Cb 0.65 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1d1r h LYS 63 CO 0.02 1.07 -0.83 1.25 -1.08 0.00 0.00 179.45 179.88 1d1r h LEU 64 N 0.37 0.44 0.42 2.94 6.46 -1.15 -1.45 115.31 123.33 1d1r h LEU 64 Ca -0.00 -0.32 -0.02 0.00 -0.12 0.00 0.00 57.88 57.42 1d1r h LEU 64 Cb 1.08 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1d1r h LEU 64 CO 0.10 1.09 -0.20 0.00 -0.62 0.00 0.00 178.44 178.81 1d1r h ALA 65 N 0.89 -0.56 -0.65 1.25 0.00 -1.35 -1.41 119.26 117.43 1d1r h ALA 65 Ca -0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1d1r h ALA 65 Cb 1.43 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 1d1r h ALA 65 CO 0.14 -0.78 0.13 0.00 0.00 0.00 0.00 179.25 178.74 1d1r h ALA 66 N -0.09 0.99 -0.93 0.00 0.00 -1.47 -0.94 119.26 116.83 1d1r h ALA 66 Ca -0.06 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.72 1d1r h ALA 66 Cb 0.48 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1d1r h ALA 66 CO 0.09 0.64 0.59 0.93 0.00 0.00 0.00 179.25 181.51 1d1r h GLU 67 N 1.00 0.83 0.00 0.00 5.08 -1.04 0.96 114.58 121.41 1d1r h GLU 67 Ca 0.20 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1d1r h GLU 67 Cb 0.39 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1d1r h GLU 67 CO 0.01 0.55 -0.50 -0.07 -1.00 0.00 0.00 179.01 177.99 1d1r h LEU 68 N 0.85 0.00 -1.29 1.33 3.38 -0.72 -3.20 115.31 115.66 1d1r h LEU 68 Ca 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 1d1r h LEU 68 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1d1r h LEU 68 CO -0.21 0.30 -0.15 0.50 0.09 0.00 0.00 178.44 178.97 1d1r h LYS 69 N 0.00 0.00 0.00 1.13 3.64 0.54 -2.14 116.57 119.74 1d1r h LYS 69 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1d1r h LYS 69 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1d1r h LYS 69 CO 0.04 0.15 0.00 1.63 -2.27 0.00 0.00 179.45 179.00 1d1r n LYS 70 N -3.33 0.85 -0.11 1.90 4.76 -0.77 -2.69 118.16 118.77 1d1r n LYS 70 Ca 0.00 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.51 1d1r n LYS 70 Cb 0.38 -1.44 0.12 0.00 -1.84 0.00 0.00 35.03 32.24 1d1r n LYS 70 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1d1r n LYS 71 N -0.94 2.12 -0.03 1.97 4.81 -0.80 -4.62 118.16 120.65 1d1r n LYS 71 Ca 0.18 -2.28 -0.04 0.00 -0.87 0.00 0.00 58.31 55.31 1d1r n LYS 71 Cb 0.08 -1.39 -0.05 0.00 0.02 0.00 0.00 35.03 33.69 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 2.76 1.90 3.22 0.00 0.00 -1.25 -4.82 105.19 107.00 1d1r n GLY 73 Ca -0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 1d1r n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d1r n GLY 75 N 5.41 1.37 0.00 0.00 0.00 -1.26 -5.10 105.19 105.62 1d1r n GLY 75 Ca -0.05 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1d1r n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d1r n GLY 76 N -1.30 2.23 3.06 -0.02 0.00 -1.26 -4.92 105.19 102.98 1d1r n GLY 76 Ca 0.00 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 1.98 -0.08 4.61 0.00 -1.07 -5.07 121.76 122.14 1d1r s ALA 77 Ca 0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 1d1r s ALA 77 Cb 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 1d1r s ALA 77 CO 0.00 -0.31 -0.05 0.54 0.00 0.00 0.00 175.76 175.94 1d1r s VAL 78 N 1.33 3.87 -0.03 0.00 0.11 -1.26 -1.86 120.40 122.56 1d1r s VAL 78 Ca 0.03 -0.41 0.03 0.00 -2.93 0.00 0.00 61.98 58.70 1d1r s VAL 78 Cb -0.13 -2.60 -0.00 0.00 -1.53 0.00 0.00 36.38 32.12 1d1r s VAL 78 CO -0.10 0.60 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.61 1d1r s LYS 79 N -0.78 1.22 -0.84 1.54 1.02 -0.19 -5.00 119.74 116.71 1d1r s LYS 79 Ca 0.12 -0.42 -0.22 0.00 0.02 0.00 0.00 55.97 55.47 1d1r s LYS 79 Cb -0.11 -1.11 -0.19 0.00 -0.52 0.00 0.00 37.83 35.90 1d1r s LYS 79 CO 0.02 0.18 2.33 -0.25 -0.92 0.00 0.00 175.35 176.71 1d1r n ASP 80 N 3.17 1.01 0.00 2.83 8.00 -1.26 -1.04 116.55 129.26 1d1r n ASP 80 Ca -0.18 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.01 1d1r n ASP 80 Cb 0.54 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1d1r n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d1r n GLY 81 N 6.47 4.24 3.06 0.44 0.00 -1.26 -5.10 105.19 113.04 1d1r n GLY 81 Ca 0.51 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.44 -0.01 1.61 1.01 -0.21 -4.74 120.40 118.50 1d1r s VAL 82 Ca 0.00 -1.18 0.06 0.00 0.00 0.00 0.00 61.98 60.86 1d1r s VAL 82 Cb 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 1d1r s VAL 82 CO 0.00 -0.51 -0.20 -0.63 0.00 0.00 0.00 175.10 173.76 1d1r s ILE 83 N -1.82 1.58 -0.02 2.22 1.09 -0.83 -1.02 121.20 122.40 1d1r s ILE 83 Ca -0.08 -0.90 0.04 0.00 -1.10 0.00 0.00 60.65 58.62 1d1r s ILE 83 Cb -0.07 -1.32 -0.01 0.00 -1.06 0.00 0.00 42.46 40.00 1d1r s ILE 83 CO -0.01 0.41 -0.14 -1.61 -0.10 0.00 0.00 174.94 173.49 1d1r s GLU 84 N -0.56 1.22 -0.21 2.79 2.02 -0.78 -1.30 118.70 121.89 1d1r s GLU 84 Ca 0.08 -0.50 -0.16 0.00 0.02 0.00 0.00 54.97 54.41 1d1r s GLU 84 Cb -0.08 -1.16 0.06 0.00 0.10 0.00 0.00 34.13 33.06 1d1r s GLU 84 CO -0.00 0.28 0.54 0.42 0.02 0.00 0.00 175.26 176.51 1d1r s ILE 85 N -0.24 -0.01 -0.42 -1.63 1.01 -0.86 -2.59 121.20 116.47 1d1r s ILE 85 Ca 0.04 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.44 1d1r s ILE 85 Cb -0.07 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.66 1d1r s ILE 85 CO -0.00 0.01 1.02 -1.58 0.00 0.00 0.00 174.94 174.39 1d1r s GLN 86 N 0.87 3.77 0.00 2.79 0.74 -1.26 -1.63 119.66 124.93 1d1r s GLN 86 Ca -0.05 0.56 0.00 0.00 0.05 0.00 0.00 55.36 55.92 1d1r s GLN 86 Cb -0.05 -3.86 0.00 0.00 1.10 0.00 0.00 33.01 30.20 1d1r s GLN 86 CO -0.07 -1.15 0.00 0.41 -0.55 0.00 0.00 175.29 173.93 1d1r n GLY 87 N 4.58 0.00 3.65 2.59 0.00 -1.26 -4.95 105.19 109.80 1d1r n GLY 87 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1d1r n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d1r n ASP 88 N -1.67 -3.03 -2.83 1.61 8.00 -1.26 -4.82 116.55 112.55 1d1r n ASP 88 Ca 0.00 -0.56 -0.14 0.00 0.71 0.00 0.00 54.79 54.80 1d1r n ASP 88 Cb 0.09 -2.53 0.01 0.00 -0.02 0.00 0.00 41.12 38.67 1d1r n ASP 88 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1d1r n LYS 89 N -3.79 1.32 0.00 -1.24 5.02 -1.26 -4.90 118.16 113.31 1d1r n LYS 89 Ca 0.03 -3.44 0.23 0.00 -2.02 0.00 0.00 58.31 53.11 1d1r n LYS 89 Cb 0.51 -1.50 0.68 0.00 -0.02 0.00 0.00 35.03 34.69 1d1r n LYS 89 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1d1r h ARG 90 N 2.97 0.00 0.16 1.97 3.08 -1.96 -0.01 114.38 120.60 1d1r h ARG 90 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1d1r h ARG 90 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1d1r h ARG 90 CO 0.54 0.00 -0.19 -0.44 -1.07 0.00 0.00 179.97 178.80 1d1r h ASP 91 N 0.00 -0.52 0.35 7.04 5.19 -1.99 -0.72 116.42 125.77 1d1r h ASP 91 Ca 0.28 0.05 -0.16 0.00 -0.62 0.00 0.00 57.03 56.58 1d1r h ASP 91 Cb 1.57 0.19 -0.01 0.00 0.18 0.00 0.00 39.33 41.26 1d1r h ASP 91 CO -0.00 -0.28 -0.65 0.25 -3.12 0.00 0.00 179.24 175.43 1d1r h LEU 92 N -0.40 0.33 -2.22 1.55 6.46 -1.45 -2.88 115.31 116.71 1d1r h LEU 92 Ca 0.01 -0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1d1r h LEU 92 Cb 0.39 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1d1r h LEU 92 CO -0.07 0.89 -0.01 -0.07 -0.62 0.00 0.00 178.44 178.56 1d1r h LEU 93 N 0.20 0.00 0.38 2.25 3.38 -0.92 -0.53 115.31 120.06 1d1r h LEU 93 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1d1r h LEU 93 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1d1r h LEU 93 CO 0.10 0.01 -0.18 0.50 0.09 0.00 0.00 178.44 178.97 1d1r h LYS 94 N 0.00 -0.49 0.00 1.13 3.64 -0.91 -2.07 116.57 117.87 1d1r h LYS 94 Ca -0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1d1r h LYS 94 Cb 0.03 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1d1r h LYS 94 CO 0.00 -0.32 0.00 0.77 -2.27 0.00 0.00 179.45 177.63 1d1r h SER 95 N -0.62 0.00 0.34 4.20 0.02 -1.62 -2.22 113.55 113.65 1d1r h SER 95 Ca -0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1d1r h SER 95 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1d1r h SER 95 CO 0.08 0.00 -0.16 0.25 -1.14 0.00 0.00 176.83 175.86 1d1r h LEU 96 N 0.00 -0.39 -1.28 5.07 6.46 -0.82 -1.87 115.31 122.49 1d1r h LEU 96 Ca 0.00 -0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 57.58 1d1r h LEU 96 Cb 0.12 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1d1r h LEU 96 CO 0.00 0.07 -0.18 0.25 -0.62 0.00 0.00 178.44 177.96 1d1r h LEU 97 N -1.02 0.26 -1.34 2.25 7.12 -1.15 -1.99 115.31 119.44 1d1r h LEU 97 Ca -0.05 -0.06 -0.07 0.00 0.13 0.00 0.00 57.88 57.84 1d1r h LEU 97 Cb 0.49 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1d1r h LEU 97 CO 0.08 0.46 -0.31 -0.33 -0.13 0.00 0.00 178.44 178.20 1d1r h GLU 98 N 0.25 0.00 -0.16 1.25 4.39 -1.43 -2.45 114.58 116.42 1d1r h GLU 98 Ca 0.05 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 1d1r h GLU 98 Cb 0.47 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1d1r h GLU 98 CO 0.03 0.31 -0.13 0.00 -1.16 0.00 0.00 179.01 178.06 1d1r h ALA 99 N 1.69 1.49 0.00 3.43 0.00 -0.53 -1.33 119.26 124.01 1d1r h ALA 99 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1d1r h ALA 99 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1d1r h ALA 99 CO 0.04 0.36 -0.04 1.63 0.00 0.00 0.00 179.25 181.24 1d1r n LYS 100 N -4.27 0.26 -1.00 0.00 5.02 -0.93 -4.89 118.16 112.34 1d1r n LYS 100 Ca -0.01 0.20 -0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1d1r n LYS 100 Cb 0.27 -1.79 -0.00 0.00 -0.02 0.00 0.00 35.03 33.49 1d1r n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1d1r n GLY 101 N 1.31 0.48 3.89 0.72 0.00 -0.50 -5.02 105.19 106.07 1d1r n GLY 101 Ca 0.05 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.38 3.68 -0.52 1.61 -1.94 -1.22 -5.00 119.30 115.54 1d1r s MET 102 Ca 0.00 0.36 -0.28 0.00 -1.71 0.00 0.00 55.69 54.06 1d1r s MET 102 Cb 0.00 -2.39 0.03 0.00 2.01 0.00 0.00 34.83 34.48 1d1r s MET 102 CO 0.00 -0.10 1.13 0.15 -0.01 0.00 0.00 175.02 176.19 1d1r s LYS 103 N -4.19 3.61 0.10 2.03 -0.14 -1.19 -4.65 119.74 115.32 1d1r s LYS 103 Ca 0.50 0.38 0.02 0.00 -1.36 0.00 0.00 55.97 55.51 1d1r s LYS 103 Cb -0.10 -3.95 -0.04 0.00 -1.68 0.00 0.00 37.83 32.05 1d1r s LYS 103 CO 0.37 -1.49 0.18 0.54 -0.76 0.00 0.00 175.35 174.19 1d1r s VAL 104 N 4.57 5.00 -0.80 3.17 0.11 -1.26 -3.65 120.40 127.53 1d1r s VAL 104 Ca 0.45 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.86 1d1r s VAL 104 Cb -0.08 -3.48 0.20 0.00 -1.53 0.00 0.00 36.38 31.50 1d1r s VAL 104 CO 0.29 0.05 0.67 0.29 -3.33 0.00 0.00 175.10 173.07 1d1r n LYS 105 N 0.07 2.31 -1.51 1.54 4.76 -1.22 -5.02 118.16 119.09 1d1r n LYS 105 Ca -0.07 -4.50 -0.40 0.00 -2.87 0.00 0.00 58.31 50.47 1d1r n LYS 105 Cb 0.52 -2.35 -0.11 0.00 -1.84 0.00 0.00 35.03 31.26 1d1r n LYS 105 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1d1r n LEU 106 N 2.02 1.00 -4.74 -0.35 0.00 -1.26 -4.31 117.00 109.36 1d1r n LEU 106 Ca 0.22 -0.03 -0.36 0.00 0.00 0.00 0.00 56.01 55.84 1d1r n LEU 106 Cb 0.36 -1.14 -0.08 0.00 0.00 0.00 0.00 43.42 42.56 1d1r n LEU 106 CO 0.33 -1.00 -0.12 0.00 0.00 0.00 0.00 177.39 176.59 1d1r s ALA 107 N 9.96 3.67 0.00 1.96 0.00 -1.03 -4.98 121.76 131.35 1d1r s ALA 107 Ca 1.23 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1d1r s ALA 107 Cb -0.90 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1d1r s ALA 107 CO 0.42 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1d1r n GLY 108 N 3.34 0.13 0.00 0.00 0.00 -1.26 -3.84 105.19 103.55 1d1r n GLY 108 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 2.77 1.94 2.05 -0.02 0.00 -1.26 -4.78 105.19 105.89 1d1r n GLY 109 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 1d1r n GLY 109 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1d1r n LEU 110 N 0.00 -2.24 -0.59 0.99 7.94 -1.26 -5.27 117.00 116.57 1d1r n LEU 110 Ca 0.00 -0.12 0.07 0.00 -1.11 0.00 0.00 56.01 54.85 1d1r n LEU 110 Cb 0.00 -1.15 0.06 0.00 0.53 0.00 0.00 43.42 42.86 1d1r n LEU 110 CO 0.00 0.15 0.48 1.21 -1.11 0.00 0.00 177.39 178.12