#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 0.48 2.75 0.72 0.00 -1.26 -5.11 105.19 102.77 1d1r n GLY 30 Ca 0.00 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.87 0.00 1.61 2.03 -1.26 -5.11 116.55 110.96 1d1r n ASP 31 Ca 0.00 -3.32 0.00 0.00 0.52 0.00 0.00 54.79 51.99 1d1r n ASP 31 Cb 0.00 1.83 0.00 0.00 -0.72 0.00 0.00 41.12 42.23 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 1.58 1.34 2.82 0.27 0.00 -1.26 -4.77 105.19 105.17 1d1r n GLY 32 Ca 0.09 0.50 -0.27 0.00 0.00 0.00 0.00 46.02 46.34 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 0.76 0.61 1.61 -7.23 -1.26 -4.25 120.40 110.64 1d1r s VAL 33 Ca 0.00 -0.39 -0.11 0.00 -1.81 0.00 0.00 61.98 59.67 1d1r s VAL 33 Cb 0.00 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 1d1r s VAL 33 CO 0.00 0.09 1.01 -0.69 -0.31 0.00 0.00 175.10 175.20 1d1r s VAL 34 N 1.78 4.72 -0.10 1.32 1.01 -1.09 -4.04 120.40 124.00 1d1r s VAL 34 Ca 0.02 0.83 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 1d1r s VAL 34 Cb -0.15 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.41 1d1r s VAL 34 CO -0.07 -1.11 0.22 -0.13 0.00 0.00 0.00 175.10 174.00 1d1r s ARG 35 N -5.11 0.15 -0.21 2.72 0.52 -1.24 -3.04 118.95 112.74 1d1r s ARG 35 Ca 0.54 0.53 -0.02 0.00 -0.52 0.00 0.00 55.73 56.26 1d1r s ARG 35 Cb -0.11 -0.14 0.06 0.00 0.52 0.00 0.00 34.95 35.29 1d1r s ARG 35 CO 0.53 -0.19 0.02 0.42 0.02 0.00 0.00 175.30 176.09 1d1r s ILE 36 N 1.49 0.76 0.04 1.52 1.09 -1.26 -3.63 121.20 121.21 1d1r s ILE 36 Ca -0.07 -0.77 -0.01 0.00 -1.10 0.00 0.00 60.65 58.71 1d1r s ILE 36 Cb -0.11 -1.25 -0.03 0.00 -1.06 0.00 0.00 42.46 40.01 1d1r s ILE 36 CO -0.08 -0.23 -0.03 0.00 -0.10 0.00 0.00 174.94 174.51 1d1r s GLN 37 N 1.74 0.53 -0.10 2.79 -2.07 -1.23 -4.22 119.66 117.11 1d1r s GLN 37 Ca -0.01 -1.06 -0.12 0.00 -1.82 0.00 0.00 55.36 52.34 1d1r s GLN 37 Cb -0.17 0.18 -0.05 0.00 -1.09 0.00 0.00 33.01 31.88 1d1r s GLN 37 CO -0.09 -0.09 0.29 -0.98 -1.32 0.00 0.00 175.29 173.10 1d1r s ARG 38 N -3.28 3.93 -0.57 9.60 1.70 -1.26 -2.61 118.95 126.47 1d1r s ARG 38 Ca 0.01 0.15 -0.07 0.00 -0.47 0.00 0.00 55.73 55.35 1d1r s ARG 38 Cb 0.03 -3.30 0.15 0.00 -0.57 0.00 0.00 34.95 31.26 1d1r s ARG 38 CO -0.08 0.53 0.42 -0.65 -1.08 0.00 0.00 175.30 174.45 1d1r s GLN 39 N -0.44 2.62 0.95 3.89 -0.21 -1.07 -4.77 119.66 120.62 1d1r s GLN 39 Ca 0.19 -2.13 -0.13 0.00 0.02 0.00 0.00 55.36 53.31 1d1r s GLN 39 Cb -0.14 -3.90 0.16 0.00 1.00 0.00 0.00 33.01 30.13 1d1r s GLN 39 CO 0.07 -1.19 1.14 0.99 -2.12 0.00 0.00 175.29 174.18 1d1r s THR 40 N 0.69 1.97 -0.33 -0.19 2.01 -1.26 -4.42 115.64 114.10 1d1r s THR 40 Ca 0.12 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.04 1d1r s THR 40 Cb -0.21 -2.71 0.21 0.00 0.01 0.00 0.00 72.50 69.79 1d1r s THR 40 CO -0.03 0.00 1.09 -0.44 -0.69 0.00 0.00 174.62 174.55 1d1r s SER 41 N -4.00 -0.27 0.00 3.53 0.01 -1.26 -5.09 113.70 106.62 1d1r s SER 41 Ca 0.65 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1d1r s SER 41 Cb -0.14 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1d1r s SER 41 CO 0.54 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.78 1d1r n GLY 42 N 2.89 0.62 0.59 3.44 0.00 -1.26 -4.96 105.19 106.52 1d1r n GLY 42 Ca 0.10 -2.11 -0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 0.02 -3.14 1.61 1.74 -1.26 -4.87 116.66 110.76 1d1r n ARG 43 Ca 0.00 0.01 -0.45 0.00 -0.77 0.00 0.00 57.85 56.64 1d1r n ARG 43 Cb 0.00 -0.26 -0.02 0.00 -1.02 0.00 0.00 32.46 31.17 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 -1.10 3.79 0.00 5.56 1.02 -1.26 -4.94 119.74 122.80 1d1r s LYS 44 Ca -0.01 -2.39 0.00 0.00 0.02 0.00 0.00 55.97 53.59 1d1r s LYS 44 Cb 0.00 -4.72 0.00 0.00 -0.52 0.00 0.00 37.83 32.60 1d1r s LYS 44 CO 0.01 -1.52 0.00 0.41 -0.92 0.00 0.00 175.35 173.34 1d1r n GLY 45 N 4.26 3.40 3.77 -3.33 0.00 -1.26 -5.17 105.19 106.86 1d1r n GLY 45 Ca 0.23 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 1d1r n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d1r s LYS 46 N -0.20 2.75 0.65 1.61 1.02 -1.26 -5.13 119.74 119.18 1d1r s LYS 46 Ca 0.00 -1.10 0.03 0.00 0.02 0.00 0.00 55.97 54.92 1d1r s LYS 46 Cb 0.00 -2.48 0.10 0.00 -0.52 0.00 0.00 37.83 34.94 1d1r s LYS 46 CO 0.00 0.41 0.89 0.20 -0.92 0.00 0.00 175.35 175.93 1d1r s GLY 47 N -3.62 1.76 0.04 -3.33 0.00 -1.26 -4.83 107.32 96.08 1d1r s GLY 47 Ca 0.32 -1.84 -0.16 0.00 0.00 0.00 0.00 44.72 43.04 1d1r s GLY 47 CO 0.23 -1.34 0.36 -1.34 0.00 0.00 0.00 173.10 171.00 1d1r s VAL 48 N -2.92 0.07 -0.26 1.40 -7.23 -1.26 -4.49 120.40 105.71 1d1r s VAL 48 Ca 0.64 -0.56 0.02 0.00 -1.81 0.00 0.00 61.98 60.27 1d1r s VAL 48 Cb -0.06 -0.92 0.06 0.00 0.56 0.00 0.00 36.38 36.02 1d1r s VAL 48 CO 0.42 -0.31 -0.10 0.00 -0.31 0.00 0.00 175.10 174.80 1d1r s LEU 50 N 1.13 4.27 -0.19 0.00 2.96 -1.07 -1.86 118.68 123.91 1d1r s LEU 50 Ca -0.08 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1d1r s LEU 50 Cb -0.20 -2.30 0.04 0.00 0.50 0.00 0.00 46.19 44.24 1d1r s LEU 50 CO -0.05 0.16 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.42 1d1r s ILE 51 N 0.20 1.52 0.25 6.68 1.01 -0.93 -3.56 121.20 126.37 1d1r s ILE 51 Ca 0.15 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.76 1d1r s ILE 51 Cb -0.13 -1.61 -0.00 0.00 0.01 0.00 0.00 42.46 40.73 1d1r s ILE 51 CO 0.03 0.17 0.48 0.28 0.00 0.00 0.00 174.94 175.91 1d1r s THR 52 N 1.45 0.00 0.00 2.92 -1.32 -1.24 -1.80 115.64 115.65 1d1r s THR 52 Ca -0.01 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.07 1d1r s THR 52 Cb -0.16 -2.22 0.00 0.00 -1.51 0.00 0.00 72.50 68.61 1d1r s THR 52 CO -0.08 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 1d1r n GLY 53 N -0.39 2.07 3.55 6.08 0.00 -1.26 -3.71 105.19 111.52 1d1r n GLY 53 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.98 0.23 -2.69 1.61 0.31 -1.26 -4.31 118.33 110.25 1d1r n VAL 54 Ca 0.00 -0.44 -0.43 0.00 -0.01 0.00 0.00 64.34 63.45 1d1r n VAL 54 Cb 0.00 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 30.64 1d1r n VAL 54 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1d1r n ASP 55 N 11.74 5.04 -4.18 4.52 2.03 -1.26 -4.93 116.55 129.50 1d1r n ASP 55 Ca 0.35 -2.97 -0.12 0.00 0.52 0.00 0.00 54.79 52.57 1d1r n ASP 55 Cb 0.39 -1.62 -0.10 0.00 -0.72 0.00 0.00 41.12 39.07 1d1r n ASP 55 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1d1r s LEU 56 N 2.18 2.49 0.61 -2.67 1.98 -1.26 -4.75 118.68 117.27 1d1r s LEU 56 Ca 0.46 -0.97 -0.14 0.00 -2.89 0.00 0.00 54.13 50.60 1d1r s LEU 56 Cb 0.02 -0.17 -0.03 0.00 0.66 0.00 0.00 46.19 46.67 1d1r s LEU 56 CO 0.02 -0.40 1.04 -0.62 -1.89 0.00 0.00 176.35 174.50 1d1r s ASP 57 N -2.94 5.92 1.01 3.68 2.15 -1.26 -4.89 116.67 120.33 1d1r s ASP 57 Ca 0.11 1.64 -0.13 0.00 0.43 0.00 0.00 52.55 54.61 1d1r s ASP 57 Cb 0.03 -2.51 0.20 0.00 -0.30 0.00 0.00 42.92 40.34 1d1r s ASP 57 CO -0.03 -1.08 0.45 0.47 -0.17 0.00 0.00 175.17 174.81 1d1r n ASP 58 N -2.37 -3.10 0.00 -0.34 9.92 -1.26 -3.46 116.55 115.95 1d1r n ASP 58 Ca 0.07 -0.45 0.00 0.00 -0.53 0.00 0.00 54.79 53.88 1d1r n ASP 58 Cb 0.53 -0.73 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 1d1r n ASP 58 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1d1r n ALA 59 N -4.40 0.00 -0.24 2.24 0.00 -1.26 -4.15 120.51 112.70 1d1r n ALA 59 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.44 1d1r n ALA 59 Cb 0.31 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.14 1d1r n ALA 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1d1r h GLU 60 N 0.00 0.68 -0.22 0.00 4.39 -1.97 -1.25 114.58 116.21 1d1r h GLU 60 Ca 0.00 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1d1r h GLU 60 Cb 0.00 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1d1r h GLU 60 CO 0.00 0.45 0.10 1.25 -1.16 0.00 0.00 179.01 179.65 1d1r h LEU 61 N 0.70 0.14 -1.99 1.33 5.85 -1.71 -0.84 115.31 118.79 1d1r h LEU 61 Ca 0.41 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.12 1d1r h LEU 61 Cb 0.59 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1d1r h LEU 61 CO -0.17 0.11 -0.08 0.71 -0.34 0.00 0.00 178.44 178.68 1d1r h THR 62 N 0.22 0.87 0.09 1.05 1.35 -1.58 -1.81 112.91 113.10 1d1r h THR 62 Ca 0.09 -0.28 -0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1d1r h THR 62 Cb 0.04 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1d1r h THR 62 CO -0.07 0.07 -0.04 0.50 -0.25 0.00 0.00 175.52 175.73 1d1r h LYS 63 N 0.00 -0.11 -0.35 4.72 3.64 -0.62 -2.01 116.57 121.84 1d1r h LYS 63 Ca -0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1d1r h LYS 63 Cb 0.15 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1d1r h LYS 63 CO 0.01 0.29 0.20 1.25 -2.27 0.00 0.00 179.45 178.93 1d1r h LEU 64 N -0.55 0.41 0.17 5.20 7.12 -0.98 -0.79 115.31 125.89 1d1r h LEU 64 Ca -0.01 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 57.97 1d1r h LEU 64 Cb 0.46 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1d1r h LEU 64 CO 0.02 0.33 -0.08 0.00 -0.13 0.00 0.00 178.44 178.58 1d1r h ALA 65 N 1.74 -0.23 0.00 1.25 0.00 -1.20 -2.22 119.26 118.60 1d1r h ALA 65 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1d1r h ALA 65 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1d1r h ALA 65 CO -0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 179.25 178.65 1d1r h ALA 66 N 0.35 1.14 0.32 0.00 0.00 -0.96 -1.38 119.26 118.74 1d1r h ALA 66 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1d1r h ALA 66 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1d1r h ALA 66 CO 0.04 0.07 -0.15 1.49 0.00 0.00 0.00 179.25 180.69 1d1r h GLU 67 N 0.00 -0.41 0.00 0.00 4.81 -0.58 -1.92 114.58 116.48 1d1r h GLU 67 Ca -0.00 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1d1r h GLU 67 Cb 0.27 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1d1r h GLU 67 CO 0.01 -0.08 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.02 1d1r h LEU 68 N -0.83 0.00 -0.47 1.64 4.07 -1.23 -2.77 115.31 115.72 1d1r h LEU 68 Ca -0.04 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.75 1d1r h LEU 68 Cb 0.52 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 1d1r h LEU 68 CO 0.07 0.12 -0.52 0.50 -1.08 0.00 0.00 178.44 177.53 1d1r h LYS 69 N 0.00 0.67 0.00 1.13 3.11 -1.12 -2.56 116.57 117.80 1d1r h LYS 69 Ca -0.00 -0.41 0.00 0.00 -2.81 0.00 0.00 60.65 57.43 1d1r h LYS 69 Cb 0.56 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1d1r h LYS 69 CO 0.02 1.02 0.00 1.17 -2.81 0.00 0.00 179.45 178.85 1d1r n LYS 70 N -3.99 0.12 0.21 1.90 4.81 -0.73 -2.04 118.16 118.44 1d1r n LYS 70 Ca -0.03 0.38 0.10 0.00 -0.87 0.00 0.00 58.31 57.89 1d1r n LYS 70 Cb 0.60 -1.73 0.32 0.00 0.02 0.00 0.00 35.03 34.23 1d1r n LYS 70 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1d1r h LYS 71 N 0.00 0.00 0.00 1.64 1.57 -1.48 -3.30 116.57 115.00 1d1r h LYS 71 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1d1r h LYS 71 Cb 0.28 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 1d1r h LYS 71 CO 0.00 0.19 -2.17 0.00 -0.57 0.00 0.00 179.45 176.90 1d1r n GLY 73 N 2.20 0.30 0.00 0.00 0.00 -0.96 -4.98 105.19 101.75 1d1r n GLY 73 Ca -0.32 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.63 -4.65 2.91 0.00 0.00 -1.26 -5.00 105.19 96.55 1d1r n GLY 75 Ca 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.55 1d1r n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d1r s GLY 76 N -0.85 -1.37 -0.23 -0.02 0.00 -1.26 -4.89 107.32 98.69 1d1r s GLY 76 Ca 0.00 1.38 -0.08 0.00 0.00 0.00 0.00 44.72 46.02 1d1r s GLY 76 CO 0.00 4.19 0.09 0.00 0.00 0.00 0.00 173.10 177.38 1d1r s ALA 77 N 2.21 3.32 0.42 3.20 0.00 -1.09 -5.04 121.76 124.78 1d1r s ALA 77 Ca 0.18 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.22 1d1r s ALA 77 Cb 0.01 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1d1r s ALA 77 CO -0.16 -0.28 0.28 0.14 0.00 0.00 0.00 175.76 175.74 1d1r s VAL 78 N 1.23 2.45 0.24 0.00 -7.23 -1.26 -0.97 120.40 114.86 1d1r s VAL 78 Ca 0.05 -1.52 -0.21 0.00 -1.81 0.00 0.00 61.98 58.49 1d1r s VAL 78 Cb -0.14 -2.98 0.03 0.00 0.56 0.00 0.00 36.38 33.85 1d1r s VAL 78 CO 0.04 0.00 0.66 -0.54 -0.31 0.00 0.00 175.10 174.95 1d1r s LYS 79 N -4.02 1.60 -0.52 4.82 1.02 0.30 -4.91 119.74 118.03 1d1r s LYS 79 Ca 0.44 -0.85 -0.26 0.00 0.02 0.00 0.00 55.97 55.32 1d1r s LYS 79 Cb 0.00 0.59 -0.05 0.00 -0.52 0.00 0.00 37.83 37.86 1d1r s LYS 79 CO 0.25 -0.72 2.17 -0.51 -0.92 0.00 0.00 175.35 175.62 1d1r s ASP 80 N -2.87 4.84 0.00 2.83 1.01 -1.26 -1.80 116.67 119.42 1d1r s ASP 80 Ca 0.09 0.84 0.00 0.00 0.71 0.00 0.00 52.55 54.18 1d1r s ASP 80 Cb -0.04 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1d1r s ASP 80 CO 0.01 -2.61 0.00 0.61 0.21 0.00 0.00 175.17 173.38 1d1r n GLY 81 N 5.86 0.63 3.11 0.21 0.00 -1.26 -4.98 105.19 108.76 1d1r n GLY 81 Ca 0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.77 1.09 0.13 1.61 1.01 -0.74 -4.47 120.40 116.26 1d1r s VAL 82 Ca 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1d1r s VAL 82 Cb 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1d1r s VAL 82 CO 0.00 0.22 -0.10 -0.63 0.00 0.00 0.00 175.10 174.58 1d1r s ILE 83 N -0.48 1.12 -0.11 2.22 1.01 -0.74 0.11 121.20 124.32 1d1r s ILE 83 Ca 0.04 -1.95 -0.10 0.00 0.00 0.00 0.00 60.65 58.65 1d1r s ILE 83 Cb -0.06 -1.72 0.03 0.00 0.01 0.00 0.00 42.46 40.72 1d1r s ILE 83 CO 0.00 -0.69 0.29 -0.70 0.00 0.00 0.00 174.94 173.84 1d1r s GLU 84 N -3.48 0.33 -0.27 2.79 2.12 -0.14 -2.18 118.70 117.86 1d1r s GLU 84 Ca 0.14 0.42 -0.00 0.00 0.36 0.00 0.00 54.97 55.88 1d1r s GLU 84 Cb 0.01 0.14 0.14 0.00 0.26 0.00 0.00 34.13 34.68 1d1r s GLU 84 CO 0.00 -0.05 0.35 0.42 -0.54 0.00 0.00 175.26 175.44 1d1r s ILE 85 N 0.25 -0.52 -0.32 -3.70 1.01 -0.78 -2.68 121.20 114.46 1d1r s ILE 85 Ca -0.01 -0.31 -0.34 0.00 0.00 0.00 0.00 60.65 60.00 1d1r s ILE 85 Cb -0.03 -0.93 -0.10 0.00 0.01 0.00 0.00 42.46 41.41 1d1r s ILE 85 CO -0.00 -0.31 2.20 0.00 0.00 0.00 0.00 174.94 176.82 1d1r n GLN 86 N 5.34 1.26 -2.79 2.79 6.02 -1.26 -2.98 117.38 125.76 1d1r n GLN 86 Ca -0.02 0.34 -0.07 0.00 -0.01 0.00 0.00 57.00 57.25 1d1r n GLN 86 Cb 0.48 -2.62 0.00 0.00 1.02 0.00 0.00 30.24 29.13 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 6.39 1.91 2.70 1.08 0.00 -1.26 -4.88 105.19 111.12 1d1r n GLY 87 Ca 0.39 -1.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.55 -0.89 -2.68 1.61 -0.08 -1.26 -4.11 116.55 107.59 1d1r n ASP 88 Ca -0.03 -2.45 -0.08 0.00 -1.51 0.00 0.00 54.79 50.73 1d1r n ASP 88 Cb 0.35 0.54 0.03 0.00 2.34 0.00 0.00 41.12 44.38 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 -0.63 1.61 -0.35 -0.67 5.02 -1.26 -4.91 118.16 116.97 1d1r n LYS 89 Ca -0.02 -3.47 0.13 0.00 -2.02 0.00 0.00 58.31 52.93 1d1r n LYS 89 Cb 0.85 -1.49 0.32 0.00 -0.02 0.00 0.00 35.03 34.69 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 0.72 -0.70 1.97 0.11 -1.92 0.90 114.38 118.25 1d1r h ARG 90 Ca -0.07 -0.04 0.14 0.00 0.10 0.00 0.00 59.98 60.11 1d1r h ARG 90 Cb 1.21 -0.16 -0.10 0.00 1.11 0.00 0.00 29.97 32.03 1d1r h ARG 90 CO 0.42 0.47 0.21 0.38 0.10 0.00 0.00 179.97 181.55 1d1r h ASP 91 N 0.74 0.12 -0.13 0.08 2.03 -1.93 -0.23 116.42 117.09 1d1r h ASP 91 Ca 0.58 0.12 -0.04 0.00 -0.73 0.00 0.00 57.03 56.96 1d1r h ASP 91 Cb 0.92 0.14 -0.00 0.00 -0.83 0.00 0.00 39.33 39.56 1d1r h ASP 91 CO -0.39 0.04 -0.07 0.25 -1.03 0.00 0.00 179.24 178.04 1d1r h LEU 92 N 0.34 0.29 -2.08 0.15 6.46 -1.25 -2.62 115.31 116.60 1d1r h LEU 92 Ca 0.38 -0.42 0.08 0.00 -0.12 0.00 0.00 57.88 57.80 1d1r h LEU 92 Cb 0.59 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1d1r h LEU 92 CO -0.43 0.64 0.34 -0.07 -0.62 0.00 0.00 178.44 178.31 1d1r h LEU 93 N -0.06 0.00 0.43 2.25 3.38 -0.55 -1.29 115.31 119.48 1d1r h LEU 93 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1d1r h LEU 93 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1d1r h LEU 93 CO 0.02 0.00 -0.21 0.50 0.09 0.00 0.00 178.44 178.84 1d1r h LYS 94 N 0.00 -0.56 0.00 1.13 3.64 -0.68 -2.06 116.57 118.03 1d1r h LYS 94 Ca 0.13 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1d1r h LYS 94 Cb 0.81 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1d1r h LYS 94 CO -0.00 -0.38 0.00 1.03 -2.27 0.00 0.00 179.45 177.83 1d1r h SER 95 N -0.62 0.00 0.40 4.20 0.87 -1.52 -2.12 113.55 114.76 1d1r h SER 95 Ca -0.06 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1d1r h SER 95 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1d1r h SER 95 CO 0.10 0.00 -0.19 0.25 -0.53 0.00 0.00 176.83 176.45 1d1r h LEU 96 N 0.00 -0.46 -0.49 2.23 6.46 -0.85 -1.11 115.31 121.10 1d1r h LEU 96 Ca 0.00 -0.12 -0.15 0.00 -0.12 0.00 0.00 57.88 57.49 1d1r h LEU 96 Cb 0.19 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1d1r h LEU 96 CO 0.00 -0.10 -0.42 0.25 -0.62 0.00 0.00 178.44 177.55 1d1r h LEU 97 N -0.86 0.83 -2.15 2.25 7.12 -1.18 -2.54 115.31 118.77 1d1r h LEU 97 Ca -0.06 -0.39 0.00 0.00 0.13 0.00 0.00 57.88 57.56 1d1r h LEU 97 Cb 0.55 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 1d1r h LEU 97 CO 0.09 1.14 0.00 -0.08 -0.13 0.00 0.00 178.44 179.46 1d1r h GLU 98 N 0.63 0.00 -0.10 1.25 4.81 -1.40 -1.81 114.58 117.96 1d1r h GLU 98 Ca 0.05 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1d1r h GLU 98 Cb 0.98 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1d1r h GLU 98 CO 0.09 0.00 -0.28 0.00 -0.73 0.00 0.00 179.01 178.10 1d1r h ALA 99 N 2.02 1.35 0.00 2.92 0.00 -0.74 -1.88 119.26 122.92 1d1r h ALA 99 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1d1r h ALA 99 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1d1r h ALA 99 CO 0.00 0.45 -0.02 1.63 0.00 0.00 0.00 179.25 181.32 1d1r n LYS 100 N -4.15 0.27 0.00 0.00 4.01 -0.68 -4.89 118.16 112.71 1d1r n LYS 100 Ca -0.01 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 58.00 1d1r n LYS 100 Cb 0.37 -1.81 0.00 0.00 -0.51 0.00 0.00 35.03 33.08 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 1.30 1.15 3.76 0.72 0.00 -0.71 -5.06 105.19 106.36 1d1r n GLY 101 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.93 3.28 -0.34 1.61 -1.94 -1.24 -4.94 119.30 114.80 1d1r s MET 102 Ca 0.00 1.91 -0.27 0.00 -1.71 0.00 0.00 55.69 55.62 1d1r s MET 102 Cb 0.00 -2.17 0.01 0.00 2.01 0.00 0.00 34.83 34.68 1d1r s MET 102 CO 0.00 -0.98 1.00 0.15 -0.01 0.00 0.00 175.02 175.18 1d1r s LYS 103 N -3.01 3.99 0.18 2.03 1.02 -1.26 -4.30 119.74 118.38 1d1r s LYS 103 Ca 0.71 0.87 0.07 0.00 0.02 0.00 0.00 55.97 57.64 1d1r s LYS 103 Cb -0.32 -3.76 -0.04 0.00 -0.52 0.00 0.00 37.83 33.19 1d1r s LYS 103 CO 0.37 -0.90 0.03 0.54 -0.92 0.00 0.00 175.35 174.47 1d1r s VAL 104 N 3.55 3.89 -0.49 3.17 0.11 -1.26 -2.69 120.40 126.67 1d1r s VAL 104 Ca 0.42 -1.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.14 1d1r s VAL 104 Cb -0.12 -2.97 0.13 0.00 -1.53 0.00 0.00 36.38 31.89 1d1r s VAL 104 CO 0.16 -0.12 0.25 -0.75 -3.33 0.00 0.00 175.10 171.31 1d1r s LYS 105 N -3.02 1.80 -0.79 1.54 2.20 -1.17 -5.01 119.74 115.30 1d1r s LYS 105 Ca 0.28 -2.46 -0.23 0.00 -0.36 0.00 0.00 55.97 53.21 1d1r s LYS 105 Cb -0.09 -3.09 -0.17 0.00 -1.51 0.00 0.00 37.83 32.96 1d1r s LYS 105 CO 0.20 -1.11 2.39 -0.11 -0.36 0.00 0.00 175.35 176.35 1d1r n LEU 106 N 3.25 1.13 0.00 5.43 7.94 -1.26 -4.43 117.00 129.06 1d1r n LEU 106 Ca 0.06 -0.94 0.00 0.00 -1.11 0.00 0.00 56.01 54.01 1d1r n LEU 106 Cb 0.33 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 42.92 1d1r n LEU 106 CO 0.31 -2.00 0.00 0.00 -1.11 0.00 0.00 177.39 174.59 1d1r n ALA 107 N 14.79 0.00 -0.60 1.96 0.00 -1.26 -4.97 120.51 130.42 1d1r n ALA 107 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1d1r n ALA 107 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1d1r n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d1r n GLY 108 N 3.47 -1.28 2.37 0.00 0.00 -1.26 -4.81 105.19 103.69 1d1r n GLY 108 Ca 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 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 1.18 -0.58 0.91 -0.02 0.00 -1.26 -4.92 105.19 100.51 1d1r n GLY 109 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.79 -1.80 0.00 0.99 7.94 -1.26 -5.23 117.00 115.85 1d1r n LEU 110 Ca -0.01 0.68 0.00 0.00 -1.11 0.00 0.00 56.01 55.56 1d1r n LEU 110 Cb 0.52 1.95 0.00 0.00 0.53 0.00 0.00 43.42 46.43 1d1r n LEU 110 CO 0.30 0.14 0.01 -0.62 -1.11 0.00 0.00 177.39 176.11