#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 -1.76 2.56 3.14 0.00 -1.26 -5.08 105.19 102.78 1d1r n GLY 30 Ca 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.01 -6.15 0.00 1.61 2.03 -1.26 -5.03 116.55 104.74 1d1r n ASP 31 Ca 0.00 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1d1r n ASP 31 Cb 0.00 -4.08 0.00 0.00 -0.72 0.00 0.00 41.12 36.32 1d1r n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d1r n GLY 32 N -1.15 3.61 2.82 0.27 0.00 -1.26 -4.78 105.19 104.70 1d1r n GLY 32 Ca 0.03 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1d1r n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d1r s VAL 33 N 0.00 0.57 -0.10 1.61 -7.23 -1.26 -3.83 120.40 110.15 1d1r s VAL 33 Ca 0.00 -0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 60.03 1d1r s VAL 33 Cb 0.00 -0.67 -0.05 0.00 0.56 0.00 0.00 36.38 36.22 1d1r s VAL 33 CO 0.00 0.28 0.28 -0.69 -0.31 0.00 0.00 175.10 174.67 1d1r s VAL 34 N 1.77 5.28 -0.09 1.32 1.01 -1.04 -3.43 120.40 125.21 1d1r s VAL 34 Ca 0.03 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1d1r s VAL 34 Cb -0.13 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1d1r s VAL 34 CO -0.05 0.51 -0.08 0.00 0.00 0.00 0.00 175.10 175.47 1d1r s ARG 35 N -0.41 1.46 -0.18 2.72 1.70 -1.25 -2.66 118.95 120.34 1d1r s ARG 35 Ca 0.18 -0.27 -0.04 0.00 -0.47 0.00 0.00 55.73 55.13 1d1r s ARG 35 Cb -0.14 -1.41 -0.02 0.00 -0.57 0.00 0.00 34.95 32.81 1d1r s ARG 35 CO 0.07 -0.15 -0.04 0.42 -1.08 0.00 0.00 175.30 174.52 1d1r s ILE 36 N 1.28 3.70 0.27 4.99 1.09 -1.26 -3.93 121.20 127.34 1d1r s ILE 36 Ca -0.03 -0.41 0.11 0.00 -1.10 0.00 0.00 60.65 59.21 1d1r s ILE 36 Cb -0.14 -2.65 -0.05 0.00 -1.06 0.00 0.00 42.46 38.57 1d1r s ILE 36 CO -0.03 0.46 -0.17 -1.58 -0.10 0.00 0.00 174.94 173.52 1d1r s GLN 37 N 0.81 1.61 -0.26 2.79 0.74 -1.24 -3.89 119.66 120.21 1d1r s GLN 37 Ca -0.01 -1.75 -0.01 0.00 0.05 0.00 0.00 55.36 53.64 1d1r s GLN 37 Cb -0.15 -1.59 0.08 0.00 1.10 0.00 0.00 33.01 32.45 1d1r s GLN 37 CO 0.02 0.27 0.06 -0.98 -0.55 0.00 0.00 175.29 174.10 1d1r s ARG 38 N -3.56 0.82 -1.20 1.67 1.70 -1.26 -3.17 118.95 113.96 1d1r s ARG 38 Ca 0.29 -0.85 -0.15 0.00 -0.47 0.00 0.00 55.73 54.55 1d1r s ARG 38 Cb -0.03 -2.12 0.15 0.00 -0.57 0.00 0.00 34.95 32.38 1d1r s ARG 38 CO 0.13 -0.82 1.46 -1.14 -1.08 0.00 0.00 175.30 173.85 1d1r s GLN 39 N 1.66 4.05 0.34 3.89 -0.44 -1.17 -4.90 119.66 123.10 1d1r s GLN 39 Ca 0.04 -2.46 -0.06 0.00 -2.50 0.00 0.00 55.36 50.39 1d1r s GLN 39 Cb -0.17 -5.12 0.08 0.00 -1.64 0.00 0.00 33.01 26.16 1d1r s GLN 39 CO -0.17 -1.83 0.42 0.25 0.50 0.00 0.00 175.29 174.46 1d1r n THR 40 N 4.91 0.00 -2.09 -0.34 -2.24 -1.26 -3.94 114.28 109.31 1d1r n THR 40 Ca 0.38 -0.29 0.01 0.00 -2.27 0.00 0.00 64.05 61.88 1d1r n THR 40 Cb 0.44 -1.67 0.01 0.00 -2.10 0.00 0.00 70.33 67.01 1d1r n THR 40 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1d1r n SER 41 N -3.36 0.35 0.00 3.42 2.88 -1.24 -4.98 113.62 110.69 1d1r n SER 41 Ca 0.05 -2.06 0.00 0.00 -1.33 0.00 0.00 58.87 55.54 1d1r n SER 41 Cb 0.19 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 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 0.07 -0.36 0.00 0.46 0.00 -1.26 -5.01 105.19 99.08 1d1r n GLY 42 Ca 0.02 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 0.00 -3.66 1.61 1.74 -1.26 -4.86 116.66 110.23 1d1r n ARG 43 Ca 0.00 0.30 -0.23 0.00 -0.77 0.00 0.00 57.85 57.15 1d1r n ARG 43 Cb 0.00 -1.01 -0.18 0.00 -1.02 0.00 0.00 32.46 30.25 1d1r n ARG 43 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1d1r s LYS 44 N -1.29 0.05 0.00 5.56 1.02 -1.26 -4.93 119.74 118.89 1d1r s LYS 44 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.14 1d1r s LYS 44 Cb 0.00 -1.11 0.00 0.00 -0.52 0.00 0.00 37.83 36.20 1d1r s LYS 44 CO 0.00 -0.47 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 1d1r n GLY 45 N 5.27 0.11 3.16 -3.33 0.00 -1.26 -5.11 105.19 104.04 1d1r n GLY 45 Ca -0.05 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.99 0.33 0.12 1.61 2.20 -1.26 -5.12 119.74 116.63 1d1r s LYS 46 Ca 0.00 0.60 0.10 0.00 -0.36 0.00 0.00 55.97 56.31 1d1r s LYS 46 Cb 0.00 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 1d1r s LYS 46 CO 0.00 -0.35 -0.25 0.20 -0.36 0.00 0.00 175.35 174.60 1d1r s GLY 47 N 2.90 1.60 0.19 5.54 0.00 -1.26 -3.65 107.32 112.63 1d1r s GLY 47 Ca 0.07 -1.42 0.08 0.00 0.00 0.00 0.00 44.72 43.44 1d1r s GLY 47 CO -0.15 -1.40 -0.15 -1.34 0.00 0.00 0.00 173.10 170.06 1d1r s VAL 48 N -1.07 1.72 -0.09 1.40 -7.23 -1.25 -4.36 120.40 109.51 1d1r s VAL 48 Ca 0.15 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1d1r s VAL 48 Cb -0.10 -1.94 0.02 0.00 0.56 0.00 0.00 36.38 34.92 1d1r s VAL 48 CO 0.07 -0.50 -0.09 0.00 -0.31 0.00 0.00 175.10 174.27 1d1r s LEU 50 N 1.27 2.58 -0.25 0.00 1.43 -1.19 -1.69 118.68 120.83 1d1r s LEU 50 Ca -0.03 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1d1r s LEU 50 Cb -0.14 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 1d1r s LEU 50 CO -0.03 0.06 0.06 -0.63 0.23 0.00 0.00 176.35 176.04 1d1r s ILE 51 N 0.95 4.13 0.13 -0.59 -1.09 -0.78 -3.64 121.20 120.31 1d1r s ILE 51 Ca -0.02 -0.29 -0.23 0.00 -2.23 0.00 0.00 60.65 57.88 1d1r s ILE 51 Cb -0.15 -2.95 0.06 0.00 -1.58 0.00 0.00 42.46 37.84 1d1r s ILE 51 CO -0.02 0.32 0.57 -0.89 -1.23 0.00 0.00 174.94 173.69 1d1r s THR 52 N 1.58 0.01 0.00 2.92 2.01 -1.25 -1.89 115.64 119.02 1d1r s THR 52 Ca 0.06 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1d1r s THR 52 Cb -0.15 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.34 1d1r s THR 52 CO 0.02 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 1d1r n GLY 53 N -0.19 2.50 3.53 4.40 0.00 -1.26 -3.83 105.19 110.33 1d1r n GLY 53 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1d1r n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1d1r n VAL 54 N -0.67 -0.02 -2.56 1.61 0.31 -1.22 -4.31 118.33 111.47 1d1r n VAL 54 Ca 0.00 -0.44 -0.42 0.00 -0.01 0.00 0.00 64.34 63.47 1d1r n VAL 54 Cb 0.00 -1.17 -0.02 0.00 -0.91 0.00 0.00 33.84 31.74 1d1r n VAL 54 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1d1r s ASP 55 N 7.25 6.61 0.19 4.52 2.15 -1.26 -4.91 116.67 131.22 1d1r s ASP 55 Ca 1.16 -1.84 -0.07 0.00 0.43 0.00 0.00 52.55 52.23 1d1r s ASP 55 Cb -0.63 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.40 1d1r s ASP 55 CO 0.36 -1.40 0.28 -0.76 -0.17 0.00 0.00 175.17 173.48 1d1r s LEU 56 N 4.80 0.92 0.56 -1.34 1.43 -1.26 -4.12 118.68 119.67 1d1r s LEU 56 Ca 0.50 -1.04 -0.18 0.00 -1.03 0.00 0.00 54.13 52.38 1d1r s LEU 56 Cb 0.02 1.06 -0.11 0.00 0.03 0.00 0.00 46.19 47.19 1d1r s LEU 56 CO -0.02 -0.93 0.24 0.47 0.23 0.00 0.00 176.35 176.34 1d1r n ASP 57 N -0.26 -2.18 0.20 2.29 9.92 -1.26 -4.67 116.55 120.59 1d1r n ASP 57 Ca -0.04 0.68 -0.15 0.00 -0.53 0.00 0.00 54.79 54.76 1d1r n ASP 57 Cb 0.63 -1.04 -0.08 0.00 -0.64 0.00 0.00 41.12 39.99 1d1r n ASP 57 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1d1r h ASP 58 N 0.08 -0.38 -0.95 -2.24 3.58 -2.00 -1.62 116.42 112.89 1d1r h ASP 58 Ca -0.44 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.11 1d1r h ASP 58 Cb 1.41 0.10 -0.07 0.00 1.72 0.00 0.00 39.33 42.49 1d1r h ASP 58 CO 0.44 -0.26 0.61 0.00 -2.88 0.00 0.00 179.24 177.15 1d1r h ALA 59 N 0.20 1.54 -0.81 -0.78 0.00 -2.01 -0.92 119.26 116.48 1d1r h ALA 59 Ca -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1d1r h ALA 59 Cb 0.36 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1d1r h ALA 59 CO 0.08 0.27 0.38 1.49 0.00 0.00 0.00 179.25 181.47 1d1r h GLU 60 N 1.00 1.16 -0.73 0.00 4.81 -1.78 -2.47 114.58 116.57 1d1r h GLU 60 Ca 0.44 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1d1r h GLU 60 Cb 0.35 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1d1r h GLU 60 CO -0.19 0.90 0.46 -0.07 -0.73 0.00 0.00 179.01 179.38 1d1r h LEU 61 N 1.15 0.77 -1.54 1.64 3.38 -0.21 -1.16 115.31 119.35 1d1r h LEU 61 Ca 0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1d1r h LEU 61 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1d1r h LEU 61 CO -0.03 0.54 0.14 0.74 0.09 0.00 0.00 178.44 179.91 1d1r h THR 62 N 0.91 1.12 -0.13 0.22 2.02 -1.18 -1.80 112.91 114.07 1d1r h THR 62 Ca 0.29 -0.37 -0.16 0.00 0.77 0.00 0.00 66.41 66.94 1d1r h THR 62 Cb -0.01 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1d1r h THR 62 CO -0.10 0.14 -0.58 0.11 0.37 0.00 0.00 175.52 175.46 1d1r h LYS 63 N 0.44 0.43 0.70 6.66 1.57 -0.97 -1.81 116.57 123.58 1d1r h LYS 63 Ca 0.11 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1d1r h LYS 63 Cb 0.08 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.43 1d1r h LYS 63 CO -0.01 0.89 -0.34 1.25 -0.57 0.00 0.00 179.45 180.67 1d1r h LEU 64 N 0.32 -0.79 -1.59 2.94 7.12 -0.53 -1.57 115.31 121.22 1d1r h LEU 64 Ca -0.00 0.02 0.08 0.00 0.13 0.00 0.00 57.88 58.11 1d1r h LEU 64 Cb 1.11 0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 41.41 1d1r h LEU 64 CO 0.10 -0.41 0.40 0.00 -0.13 0.00 0.00 178.44 178.39 1d1r h ALA 65 N -1.21 1.92 -0.23 1.25 0.00 -1.51 -0.11 119.26 119.37 1d1r h ALA 65 Ca -0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1d1r h ALA 65 Cb 0.73 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1d1r h ALA 65 CO 0.16 -0.04 -0.20 0.00 0.00 0.00 0.00 179.25 179.17 1d1r h ALA 66 N 1.69 1.22 -0.21 0.00 0.00 -1.21 -1.78 119.26 118.98 1d1r h ALA 66 Ca 0.27 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1d1r h ALA 66 Cb 0.42 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1d1r h ALA 66 CO -0.08 0.50 -0.24 0.93 0.00 0.00 0.00 179.25 180.36 1d1r h GLU 67 N 0.38 0.53 -0.75 0.00 5.08 0.02 -2.52 114.58 117.31 1d1r h GLU 67 Ca 0.06 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 1d1r h GLU 67 Cb 0.57 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1d1r h GLU 67 CO 0.04 0.88 0.23 -0.07 -1.00 0.00 0.00 179.01 179.10 1d1r h LEU 68 N 0.21 1.08 0.00 1.33 3.38 -1.28 -1.30 115.31 118.73 1d1r h LEU 68 Ca 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1d1r h LEU 68 Cb 0.81 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1d1r h LEU 68 CO 0.06 1.00 0.00 2.29 0.09 0.00 0.00 178.44 181.88 1d1r n LYS 69 N -4.25 0.60 -0.04 1.13 2.85 -0.68 -3.03 118.16 114.74 1d1r n LYS 69 Ca 0.06 0.03 -0.14 0.00 -1.05 0.00 0.00 58.31 57.20 1d1r n LYS 69 Cb 0.23 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 32.99 1d1r n LYS 69 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1d1r h LYS 70 N 0.00 0.05 -1.95 -1.58 3.64 -0.78 -3.41 116.57 112.55 1d1r h LYS 70 Ca 0.00 -0.06 -0.51 0.00 -1.27 0.00 0.00 60.65 58.81 1d1r h LYS 70 Cb 0.08 0.02 -0.39 0.00 -0.41 0.00 0.00 32.23 31.53 1d1r h LYS 70 CO 0.00 0.88 -1.14 0.36 -2.27 0.00 0.00 179.45 177.28 1d1r n LYS 71 N -4.62 0.85 0.00 1.90 2.85 -1.22 -4.86 118.16 113.06 1d1r n LYS 71 Ca -0.10 -3.27 0.00 0.00 -1.05 0.00 0.00 58.31 53.90 1d1r n LYS 71 Cb 0.45 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 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 1.02 0.48 0.00 0.00 0.00 -1.26 -5.07 105.19 100.37 1d1r n GLY 73 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.90 0.33 0.00 0.00 -1.26 -4.79 107.32 102.50 1d1r s GLY 75 Ca 0.00 0.43 -0.18 0.00 0.00 0.00 0.00 44.72 44.98 1d1r s GLY 75 CO 0.00 3.28 0.80 -0.32 0.00 0.00 0.00 173.10 176.85 1d1r s GLY 76 N 5.82 2.41 0.39 0.20 0.00 -1.26 -5.05 107.32 109.83 1d1r s GLY 76 Ca 0.81 0.17 0.08 0.00 0.00 0.00 0.00 44.72 45.77 1d1r s GLY 76 CO 0.33 0.43 0.33 0.00 0.00 0.00 0.00 173.10 174.19 1d1r s ALA 77 N -1.95 3.95 0.29 3.20 0.00 -1.24 -4.83 121.76 121.18 1d1r s ALA 77 Ca 0.54 -1.83 0.07 0.00 0.00 0.00 0.00 51.96 50.75 1d1r s ALA 77 Cb -0.11 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1d1r s ALA 77 CO 0.17 -0.14 0.23 0.08 0.00 0.00 0.00 175.76 176.10 1d1r s VAL 78 N -2.43 3.98 -0.44 0.00 1.01 -1.26 -1.51 120.40 119.74 1d1r s VAL 78 Ca 0.45 -1.42 0.05 0.00 0.00 0.00 0.00 61.98 61.06 1d1r s VAL 78 Cb -0.04 -3.28 0.17 0.00 0.00 0.00 0.00 36.38 33.24 1d1r s VAL 78 CO 0.27 -0.27 0.49 -0.54 0.00 0.00 0.00 175.10 175.05 1d1r s LYS 79 N -3.90 0.91 -0.92 2.72 1.02 0.41 -4.88 119.74 115.11 1d1r s LYS 79 Ca 0.36 -1.45 -0.08 0.00 0.02 0.00 0.00 55.97 54.82 1d1r s LYS 79 Cb -0.07 -0.75 0.00 0.00 -0.52 0.00 0.00 37.83 36.50 1d1r s LYS 79 CO 0.25 -1.33 0.67 -0.25 -0.92 0.00 0.00 175.35 173.78 1d1r n ASP 80 N 3.19 -5.45 0.00 2.83 9.92 -1.26 -0.47 116.55 125.31 1d1r n ASP 80 Ca 0.22 -0.84 0.00 0.00 -0.53 0.00 0.00 54.79 53.63 1d1r n ASP 80 Cb 0.50 -2.73 0.00 0.00 -0.64 0.00 0.00 41.12 38.26 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 -1.74 0.41 2.90 0.44 0.00 -1.26 -4.97 105.19 100.98 1d1r n GLY 81 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.91 1.78 -0.21 1.61 1.01 0.38 -4.44 120.40 118.63 1d1r s VAL 82 Ca 0.00 -2.12 -0.17 0.00 0.00 0.00 0.00 61.98 59.69 1d1r s VAL 82 Cb 0.00 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1d1r s VAL 82 CO 0.00 -0.66 0.46 -0.63 0.00 0.00 0.00 175.10 174.26 1d1r s ILE 83 N 1.01 5.15 -0.20 2.22 1.01 -0.79 0.15 121.20 129.76 1d1r s ILE 83 Ca 0.11 0.82 -0.18 0.00 0.00 0.00 0.00 60.65 61.40 1d1r s ILE 83 Cb -0.19 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 1d1r s ILE 83 CO -0.13 0.21 0.51 -1.61 0.00 0.00 0.00 174.94 173.92 1d1r s GLU 84 N 1.52 4.20 -0.17 2.79 2.02 -0.57 -1.86 118.70 126.62 1d1r s GLU 84 Ca 0.21 0.40 -0.00 0.00 0.02 0.00 0.00 54.97 55.60 1d1r s GLU 84 Cb -0.15 -3.55 0.04 0.00 0.10 0.00 0.00 34.13 30.57 1d1r s GLU 84 CO 0.09 -0.13 -0.07 0.42 0.02 0.00 0.00 175.26 175.60 1d1r s ILE 85 N 1.56 1.26 -0.55 -1.63 -1.09 -0.68 -3.59 121.20 116.47 1d1r s ILE 85 Ca 0.24 -0.73 -0.24 0.00 -2.23 0.00 0.00 60.65 57.69 1d1r s ILE 85 Cb -0.15 -1.40 0.04 0.00 -1.58 0.00 0.00 42.46 39.37 1d1r s ILE 85 CO 0.10 0.14 0.93 -1.58 -1.23 0.00 0.00 174.94 173.30 1d1r s GLN 86 N 1.57 3.31 0.00 2.79 0.74 -1.26 -1.89 119.66 124.91 1d1r s GLN 86 Ca 0.00 -0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.09 1d1r s GLN 86 Cb -0.15 -4.06 0.00 0.00 1.10 0.00 0.00 33.01 29.89 1d1r s GLN 86 CO -0.08 -1.49 0.00 0.41 -0.55 0.00 0.00 175.29 173.58 1d1r n GLY 87 N 5.13 3.51 2.75 2.59 0.00 -1.26 -4.99 105.19 112.92 1d1r n GLY 87 Ca 0.01 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 6.92 -1.83 1.61 9.92 -1.26 -4.43 116.55 127.48 1d1r n ASP 88 Ca 0.00 -3.44 -0.20 0.00 -0.53 0.00 0.00 54.79 50.62 1d1r n ASP 88 Cb 0.00 -1.27 0.10 0.00 -0.64 0.00 0.00 41.12 39.31 1d1r n ASP 88 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1d1r n LYS 89 N 1.15 2.76 -0.41 -1.24 5.02 -1.26 -4.76 118.16 119.43 1d1r n LYS 89 Ca 0.42 -3.60 0.33 0.00 -2.02 0.00 0.00 58.31 53.44 1d1r n LYS 89 Cb 0.29 -2.13 0.61 0.00 -0.02 0.00 0.00 35.03 33.79 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 1.72 0.16 0.01 1.97 2.43 -1.97 0.34 114.38 119.04 1d1r h ARG 90 Ca 0.39 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.57 1d1r h ARG 90 Cb 1.42 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.91 1d1r h ARG 90 CO 0.86 0.11 -0.15 0.22 -1.51 0.00 0.00 179.97 179.50 1d1r h ASP 91 N 0.17 -0.44 0.36 -3.80 1.82 -2.00 -0.71 116.42 111.81 1d1r h ASP 91 Ca 0.75 0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 57.41 1d1r h ASP 91 Cb 2.27 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 42.45 1d1r h ASP 91 CO -0.36 -0.21 -0.19 0.25 -1.61 0.00 0.00 179.24 177.12 1d1r h LEU 92 N -0.26 0.00 -0.32 2.28 6.46 -0.75 -2.72 115.31 120.01 1d1r h LEU 92 Ca 0.05 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1d1r h LEU 92 Cb 0.31 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1d1r h LEU 92 CO -0.14 0.19 0.13 -0.07 -0.62 0.00 0.00 178.44 177.92 1d1r h LEU 93 N 0.00 0.44 -1.84 2.25 -0.00 -0.21 -2.02 115.31 113.93 1d1r h LEU 93 Ca -0.00 -0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 57.69 1d1r h LEU 93 Cb 0.42 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 40.96 1d1r h LEU 93 CO 0.02 0.48 -0.08 0.50 -0.00 0.00 0.00 178.44 179.36 1d1r h LYS 94 N 0.36 0.00 0.07 1.13 3.64 -1.04 -1.89 116.57 118.84 1d1r h LYS 94 Ca 0.11 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1d1r h LYS 94 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1d1r h LYS 94 CO -0.01 0.08 -0.03 1.03 -2.27 0.00 0.00 179.45 178.25 1d1r h SER 95 N 0.00 -0.08 -1.24 4.20 0.87 -1.31 -1.94 113.55 114.06 1d1r h SER 95 Ca -0.00 0.00 0.38 0.00 -1.23 0.00 0.00 61.79 60.94 1d1r h SER 95 Cb 0.15 0.02 -0.11 0.00 -0.44 0.00 0.00 62.40 62.02 1d1r h SER 95 CO 0.01 -0.02 0.81 0.17 -0.53 0.00 0.00 176.83 177.27 1d1r h LEU 96 N -0.15 0.28 -0.15 2.23 8.10 -1.38 0.49 115.31 124.74 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 0.07 0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.36 1d1r h LEU 96 CO 0.02 -0.07 0.04 0.25 -4.11 0.00 0.00 178.44 174.56 1d1r h LEU 97 N 0.18 0.22 0.00 0.17 6.46 -1.31 -1.73 115.31 119.30 1d1r h LEU 97 Ca 0.73 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 58.25 1d1r h LEU 97 Cb 2.23 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 42.11 1d1r h LEU 97 CO -0.33 0.40 0.00 -0.62 -0.62 0.00 0.00 178.44 177.27 1d1r n GLU 98 N -4.82 0.03 0.07 1.25 1.02 0.16 -2.16 120.64 116.19 1d1r n GLU 98 Ca -0.05 0.30 -0.04 0.00 -0.02 0.00 0.00 57.16 57.34 1d1r n GLU 98 Cb 0.16 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.24 1d1r n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1d1r h ALA 99 N 2.39 0.94 0.00 0.62 0.00 -0.33 -3.00 119.26 119.88 1d1r h ALA 99 Ca 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 1d1r h ALA 99 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1d1r h ALA 99 CO 0.00 0.66 -1.00 0.87 0.00 0.00 0.00 179.25 179.79 1d1r h LYS 100 N 0.23 0.00 0.00 0.00 1.57 -1.50 -3.48 116.57 113.39 1d1r h LYS 100 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1d1r h LYS 100 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1d1r h LYS 100 CO 0.08 0.44 0.00 0.41 -0.57 0.00 0.00 179.45 179.81 1d1r n GLY 101 N 1.32 0.79 1.76 3.86 0.00 -1.13 -5.07 105.19 106.71 1d1r n GLY 101 Ca -0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 1d1r n GLY 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1d1r n MET 102 N -2.37 -0.05 -2.88 1.61 2.81 -1.26 -5.05 117.12 109.93 1d1r n MET 102 Ca 0.00 -1.12 -0.24 0.00 -1.81 0.00 0.00 57.70 54.53 1d1r n MET 102 Cb 0.00 -0.42 0.01 0.00 -0.71 0.00 0.00 33.22 32.10 1d1r n MET 102 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1d1r s LYS 103 N -3.89 3.14 0.05 0.03 1.02 -1.25 -4.82 119.74 114.02 1d1r s LYS 103 Ca 0.32 -0.30 -0.01 0.00 0.02 0.00 0.00 55.97 55.99 1d1r s LYS 103 Cb -0.01 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 1d1r s LYS 103 CO 0.22 -0.29 -0.03 0.08 -0.92 0.00 0.00 175.35 174.40 1d1r s VAL 104 N -2.63 0.23 -0.48 3.17 1.01 -1.26 -2.51 120.40 117.93 1d1r s VAL 104 Ca 0.48 -1.72 0.08 0.00 0.00 0.00 0.00 61.98 60.82 1d1r s VAL 104 Cb -0.10 -1.40 0.33 0.00 0.00 0.00 0.00 36.38 35.21 1d1r s VAL 104 CO 0.40 -0.94 0.81 1.17 0.00 0.00 0.00 175.10 176.53 1d1r n LYS 105 N 0.25 2.01 -1.51 2.72 4.81 -1.09 -4.96 118.16 120.40 1d1r n LYS 105 Ca -0.15 -4.08 -0.37 0.00 -0.87 0.00 0.00 58.31 52.84 1d1r n LYS 105 Cb 0.60 -1.93 -0.13 0.00 0.02 0.00 0.00 35.03 33.59 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 0.18 0.57 -4.71 3.14 7.94 -1.26 -4.49 117.00 118.36 1d1r n LEU 106 Ca 0.28 -0.11 -0.30 0.00 -1.11 0.00 0.00 56.01 54.77 1d1r n LEU 106 Cb 0.52 -1.04 0.14 0.00 0.53 0.00 0.00 43.42 43.57 1d1r n LEU 106 CO 0.28 -1.05 0.66 0.00 -1.11 0.00 0.00 177.39 176.16 1d1r s ALA 107 N 8.88 1.47 0.00 1.96 0.00 -1.25 -5.02 121.76 127.80 1d1r s ALA 107 Ca 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1d1r s ALA 107 Cb -0.94 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1d1r s ALA 107 CO 0.44 -2.42 0.00 0.41 0.00 0.00 0.00 175.76 174.19 1d1r n GLY 108 N -1.00 -1.16 0.00 0.00 0.00 -1.26 -4.97 105.19 96.79 1d1r n GLY 108 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 3.50 3.39 -0.02 0.00 -1.26 -5.11 105.19 105.68 1d1r n GLY 109 Ca 0.00 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 1d1r n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d1r s LEU 110 N 0.00 3.03 0.00 0.99 0.20 -1.26 -5.28 118.68 116.36 1d1r s LEU 110 Ca 0.00 -0.28 0.00 0.00 0.69 0.00 0.00 54.13 54.54 1d1r s LEU 110 Cb 0.00 -1.75 0.00 0.00 -0.43 0.00 0.00 46.19 44.01 1d1r s LEU 110 CO 0.00 0.06 0.00 1.21 -0.29 0.00 0.00 176.35 177.33