#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9r s PRO 21 N 0.00 3.47 -0.00 -1.46 0.02 -1.26 -4.96 135.00 130.81 2d9r s PRO 21 Ca 0.00 1.52 -0.24 0.00 0.02 0.00 0.00 61.00 62.31 2d9r s PRO 21 Cb 0.00 -2.03 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 2d9r s PRO 21 CO 0.00 -0.74 0.71 0.42 -0.33 0.00 0.00 177.00 177.06 2d9r s ILE 22 N -1.86 4.87 0.01 2.83 1.01 -0.36 -4.87 121.20 122.83 2d9r s ILE 22 Ca 0.71 1.49 0.02 0.00 0.00 0.00 0.00 60.65 62.87 2d9r s ILE 22 Cb -0.21 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 2d9r s ILE 22 CO 0.25 0.34 -0.08 -1.61 0.00 0.00 0.00 174.94 173.85 2d9r s GLU 23 N 0.19 0.58 -0.14 2.79 2.02 -1.26 -0.18 118.70 122.70 2d9r s GLU 23 Ca 0.37 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 2d9r s GLU 23 Cb -0.19 -0.52 0.11 0.00 0.10 0.00 0.00 34.13 33.63 2d9r s GLU 23 CO 0.20 0.13 0.91 -0.59 0.02 0.00 0.00 175.26 175.94 2d9r s PHE 24 N -0.53 -0.46 0.32 1.61 -0.12 -0.36 -5.00 117.98 113.45 2d9r s PHE 24 Ca -0.01 0.82 -0.26 0.00 -0.05 0.00 0.00 56.93 57.43 2d9r s PHE 24 Cb -0.05 0.43 -0.10 0.00 -0.63 0.00 0.00 43.02 42.67 2d9r s PHE 24 CO 0.00 -0.40 0.97 -0.51 -0.05 0.00 0.00 175.22 175.22 2d9r s ASP 25 N -1.01 7.29 -0.03 1.98 1.01 -1.26 -0.42 116.67 124.22 2d9r s ASP 25 Ca -0.04 1.90 -0.08 0.00 0.71 0.00 0.00 52.55 55.04 2d9r s ASP 25 Cb -0.01 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.35 2d9r s ASP 25 CO 0.03 -0.11 0.17 0.00 0.21 0.00 0.00 175.17 175.48 2d9r s ALA 26 N -1.56 -0.43 0.05 5.23 0.00 -0.21 -4.95 121.76 119.90 2d9r s ALA 26 Ca 0.50 0.18 -0.27 0.00 0.00 0.00 0.00 51.96 52.37 2d9r s ALA 26 Cb -0.20 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 2d9r s ALA 26 CO 0.26 -0.16 0.86 0.42 0.00 0.00 0.00 175.76 177.14 2d9r s ILE 27 N -0.76 4.72 -0.07 0.00 -1.09 -1.26 -0.29 121.20 122.44 2d9r s ILE 27 Ca -0.09 1.84 -0.30 0.00 -2.23 0.00 0.00 60.65 59.88 2d9r s ILE 27 Cb -0.05 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 2d9r s ILE 27 CO 0.01 0.30 1.43 -0.63 -1.23 0.00 0.00 174.94 174.82 2d9r s ILE 28 N 0.26 3.87 0.25 2.92 1.01 0.08 -4.60 121.20 125.00 2d9r s ILE 28 Ca 0.44 1.13 0.07 0.00 0.00 0.00 0.00 60.65 62.28 2d9r s ILE 28 Cb -0.21 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 2d9r s ILE 28 CO 0.26 -0.07 0.23 -0.13 0.00 0.00 0.00 174.94 175.23 2d9r s ARG 29 N 3.30 2.99 -0.14 2.79 1.81 0.59 -0.48 118.95 129.82 2d9r s ARG 29 Ca 0.64 -1.02 -0.13 0.00 -1.72 0.00 0.00 55.73 53.50 2d9r s ARG 29 Cb -0.29 -2.61 0.04 0.00 -0.45 0.00 0.00 34.95 31.64 2d9r s ARG 29 CO 0.23 0.39 0.38 -1.14 -0.68 0.00 0.00 175.30 174.48 2d9r s GLN 30 N -3.87 0.44 0.02 3.54 0.74 -1.26 -1.28 119.66 117.99 2d9r s GLN 30 Ca 0.33 0.53 -0.30 0.00 0.05 0.00 0.00 55.36 55.98 2d9r s GLN 30 Cb -0.08 0.21 -0.06 0.00 1.10 0.00 0.00 33.01 34.18 2d9r s GLN 30 CO 0.26 -0.06 1.35 0.08 -0.55 0.00 0.00 175.29 176.37 2d9r s VAL 31 N 0.24 3.75 0.23 1.34 1.01 -1.26 -4.92 120.40 120.79 2d9r s VAL 31 Ca -0.00 1.17 -0.32 0.00 0.00 0.00 0.00 61.98 62.83 2d9r s VAL 31 Cb -0.03 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.47 2d9r s VAL 31 CO 0.00 0.02 1.53 -0.81 0.00 0.00 0.00 175.10 175.84 2d9r n PRO 32 N 4.95 2.29 -1.83 2.72 -0.04 -1.26 -4.76 135.00 137.06 2d9r n PRO 32 Ca 0.12 0.82 -0.00 0.00 -0.04 0.00 0.00 63.50 64.40 2d9r n PRO 32 Cb 0.44 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 2d9r n PRO 32 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2d9r n ASP 33 N 2.69 -2.02 0.00 3.54 2.03 -1.26 -5.17 116.55 116.37 2d9r n ASP 33 Ca 0.13 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2d9r n ASP 33 Cb 0.32 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 2d9r n ASP 33 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2d9r n ASP 35 N -1.21 3.26 -4.90 1.67 8.00 -1.26 -5.27 116.55 116.84 2d9r n ASP 35 Ca -0.00 -0.14 -0.29 0.00 0.71 0.00 0.00 54.79 55.07 2d9r n ASP 35 Cb 0.50 0.93 -0.03 0.00 -0.02 0.00 0.00 41.12 42.50 2d9r n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d9r s ALA 36 N -1.58 3.55 0.24 2.24 0.00 -1.26 -4.81 121.76 120.14 2d9r s ALA 36 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.50 2d9r s ALA 36 Cb 0.00 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.67 2d9r s ALA 36 CO 0.00 0.15 0.01 0.00 0.00 0.00 0.00 175.76 175.92 2d9r s ALA 37 N -2.19 1.83 0.25 0.00 0.00 -1.24 -4.17 121.76 116.24 2d9r s ALA 37 Ca 0.46 -1.80 -0.21 0.00 0.00 0.00 0.00 51.96 50.41 2d9r s ALA 37 Cb -0.11 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.62 2d9r s ALA 37 CO 0.31 -0.28 0.66 1.52 0.00 0.00 0.00 175.76 177.97 2d9r s TYR 38 N -3.46 -0.22 0.00 0.00 1.13 -0.40 -0.49 117.35 113.91 2d9r s TYR 38 Ca 0.30 -0.18 0.07 0.00 -1.41 0.00 0.00 57.07 55.86 2d9r s TYR 38 Cb 0.06 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.52 2d9r s TYR 38 CO 0.10 -1.12 -0.22 0.14 -2.51 0.00 0.00 175.55 171.94 2d9r s VAL 39 N -3.89 2.44 0.20 -3.49 -7.23 -0.24 -0.30 120.40 107.90 2d9r s VAL 39 Ca 0.10 -1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 2d9r s VAL 39 Cb -0.04 -1.93 -0.08 0.00 0.56 0.00 0.00 36.38 34.88 2d9r s VAL 39 CO 0.02 0.48 0.99 -1.61 -0.31 0.00 0.00 175.10 174.68 2d9r s GLU 40 N -0.95 4.74 -0.31 4.82 2.02 -1.26 -1.21 118.70 126.55 2d9r s GLU 40 Ca 0.12 1.56 -0.24 0.00 0.02 0.00 0.00 54.97 56.43 2d9r s GLU 40 Cb -0.10 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.84 2d9r s GLU 40 CO 0.01 0.32 0.80 0.42 0.02 0.00 0.00 175.26 176.83 2d9r s ILE 41 N -0.71 4.78 -0.22 -1.63 -1.09 -0.24 -4.94 121.20 117.15 2d9r s ILE 41 Ca 0.44 1.19 0.01 0.00 -2.23 0.00 0.00 60.65 60.06 2d9r s ILE 41 Cb -0.27 -4.16 0.23 0.00 -1.58 0.00 0.00 42.46 36.68 2d9r s ILE 41 CO 0.33 -0.27 1.66 -0.81 -1.23 0.00 0.00 174.94 174.62 2d9r n PRO 42 N 6.24 1.58 -4.04 2.79 -0.04 -1.26 -4.70 135.00 135.57 2d9r n PRO 42 Ca 0.04 -1.26 -0.11 0.00 -0.04 0.00 0.00 63.50 62.13 2d9r n PRO 42 Cb 0.48 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 2d9r n PRO 42 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2d9r s PHE 43 N -1.42 0.63 -0.91 0.54 -0.12 -1.26 -5.09 117.98 110.35 2d9r s PHE 43 Ca 0.24 -0.95 -0.24 0.00 -0.05 0.00 0.00 56.93 55.93 2d9r s PHE 43 Cb 0.20 0.03 0.02 0.00 -0.63 0.00 0.00 43.02 42.65 2d9r s PHE 43 CO 0.02 -0.98 1.54 0.34 -0.05 0.00 0.00 175.22 176.08 2d9r s ASP 44 N -3.09 6.09 0.27 1.98 -1.08 -1.26 -4.84 116.67 114.73 2d9r s ASP 44 Ca 0.27 -0.96 -0.04 0.00 -0.52 0.00 0.00 52.55 51.30 2d9r s ASP 44 Cb 0.00 -2.56 0.35 0.00 -1.46 0.00 0.00 42.92 39.26 2d9r s ASP 44 CO 0.12 -1.87 1.92 0.58 0.52 0.00 0.00 175.17 176.43 2d9r h VAL 45 N 6.73 1.18 -0.02 1.11 2.07 -1.91 -1.26 116.25 124.15 2d9r h VAL 45 Ca 0.04 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2d9r h VAL 45 Cb 1.03 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2d9r h VAL 45 CO 1.34 0.23 0.01 0.50 0.02 0.00 0.00 177.57 179.67 2d9r h LYS 46 N 1.25 0.02 -0.24 1.57 3.64 -1.89 0.36 116.57 121.28 2d9r h LYS 46 Ca 0.39 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.75 2d9r h LYS 46 Cb -0.01 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2d9r h LYS 46 CO -0.12 0.03 0.08 1.15 -2.27 0.00 0.00 179.45 178.33 2d9r h THR 47 N 0.00 1.18 -0.18 1.00 2.02 -1.80 0.36 112.91 115.50 2d9r h THR 47 Ca 0.01 -0.57 -0.10 0.00 0.77 0.00 0.00 66.41 66.52 2d9r h THR 47 Cb 0.02 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2d9r h THR 47 CO -0.00 0.19 -0.26 0.58 0.37 0.00 0.00 175.52 176.39 2d9r h VAL 48 N 0.23 1.34 0.00 3.16 2.07 -1.08 -3.36 116.25 118.61 2d9r h VAL 48 Ca 0.08 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.13 2d9r h VAL 48 Cb 0.21 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2d9r h VAL 48 CO -0.00 0.45 -1.04 -1.22 0.02 0.00 0.00 177.57 175.77 2d9r n TYR 49 N -4.40 0.00 0.00 1.57 4.01 0.10 -5.09 117.16 113.35 2d9r n TYR 49 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2d9r n TYR 49 Cb 0.45 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 2d9r n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2d9r n GLY 50 N 1.51 0.62 3.73 2.72 0.00 0.12 -5.03 105.19 108.86 2d9r n GLY 50 Ca 0.00 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 2d9r n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d9r s LYS 51 N -1.59 1.74 0.71 1.61 1.02 -1.26 -4.31 119.74 117.66 2d9r s LYS 51 Ca 0.00 1.27 0.00 0.00 0.02 0.00 0.00 55.97 57.26 2d9r s LYS 51 Cb 0.00 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 2d9r s LYS 51 CO 0.00 -2.04 0.00 0.41 -0.92 0.00 0.00 175.35 172.80 2d9r n GLY 52 N -0.71 -2.05 3.78 -3.33 0.00 -1.26 -4.88 105.19 96.75 2d9r n GLY 52 Ca 0.10 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 2d9r n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d9r s ARG 53 N -0.06 3.52 -0.16 1.61 0.52 -1.26 -4.85 118.95 118.28 2d9r s ARG 53 Ca 0.00 1.55 0.00 0.00 -0.52 0.00 0.00 55.73 56.76 2d9r s ARG 53 Cb 0.00 -2.07 0.03 0.00 0.52 0.00 0.00 34.95 33.43 2d9r s ARG 53 CO 0.00 -0.70 -0.12 0.08 0.02 0.00 0.00 175.30 174.58 2d9r s VAL 54 N -1.81 1.50 -0.02 3.52 1.01 -0.78 -4.99 120.40 118.83 2d9r s VAL 54 Ca 0.70 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 2d9r s VAL 54 Cb -0.22 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2d9r s VAL 54 CO 0.25 0.37 0.99 -0.60 0.00 0.00 0.00 175.10 176.11 2d9r s ARG 55 N 1.50 4.53 0.06 2.72 3.52 -1.26 -0.38 118.95 129.64 2d9r s ARG 55 Ca 0.03 1.42 0.05 0.00 -0.13 0.00 0.00 55.73 57.10 2d9r s ARG 55 Cb -0.14 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 2d9r s ARG 55 CO -0.10 -0.11 -0.13 0.14 -0.81 0.00 0.00 175.30 174.30 2d9r s VAL 56 N 1.21 1.00 -0.37 7.11 -7.23 0.52 -0.44 120.40 122.21 2d9r s VAL 56 Ca 0.51 -1.20 -0.19 0.00 -1.81 0.00 0.00 61.98 59.30 2d9r s VAL 56 Cb -0.21 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 35.77 2d9r s VAL 56 CO 0.26 -0.21 0.53 0.20 -0.31 0.00 0.00 175.10 175.57 2d9r s ASN 57 N -1.60 6.32 0.30 4.85 0.02 0.11 -2.08 114.94 122.85 2d9r s ASN 57 Ca -0.03 -0.11 0.09 0.00 -1.02 0.00 0.00 52.86 51.79 2d9r s ASN 57 Cb -0.10 -2.28 -0.05 0.00 0.02 0.00 0.00 41.25 38.85 2d9r s ASN 57 CO 0.02 -0.54 0.01 0.00 0.02 0.00 0.00 177.10 176.61 2d9r s ALA 58 N 2.46 3.19 0.05 0.60 0.00 0.15 -1.22 121.76 127.00 2d9r s ALA 58 Ca 0.19 -1.78 0.04 0.00 0.00 0.00 0.00 51.96 50.42 2d9r s ALA 58 Cb -0.15 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2d9r s ALA 58 CO 0.14 0.18 -0.12 0.95 0.00 0.00 0.00 175.76 176.91 2d9r s THR 59 N -2.40 0.92 -0.20 0.00 -4.23 -0.64 -0.18 115.64 108.90 2d9r s THR 59 Ca 0.33 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 2d9r s THR 59 Cb -0.04 -0.89 0.04 0.00 1.34 0.00 0.00 72.50 72.95 2d9r s THR 59 CO 0.20 -0.21 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.62 2d9r s PHE 60 N -1.16 2.33 -1.60 3.99 0.08 -0.28 -1.96 117.98 119.37 2d9r s PHE 60 Ca -0.03 -1.54 -0.07 0.00 0.12 0.00 0.00 56.93 55.41 2d9r s PHE 60 Cb -0.09 -1.60 0.07 0.00 -0.57 0.00 0.00 43.02 40.83 2d9r s PHE 60 CO 0.01 -0.73 0.32 -0.25 -0.10 0.00 0.00 175.22 174.48 2d9r n ASP 61 N 4.71 -0.47 0.00 1.36 8.00 0.34 -1.02 116.55 129.48 2d9r n ASP 61 Ca -0.14 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.19 2d9r n ASP 61 Cb 0.47 -2.12 0.00 0.00 -0.02 0.00 0.00 41.12 39.45 2d9r n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2d9r n GLY 62 N -1.99 2.26 3.64 0.44 0.00 -1.26 -5.00 105.19 103.27 2d9r n GLY 62 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2d9r n GLY 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2d9r s TYR 63 N -2.77 3.30 0.36 1.61 5.04 -0.19 -4.97 117.35 119.73 2d9r s TYR 63 Ca 0.00 1.01 -0.26 0.00 -2.44 0.00 0.00 57.07 55.37 2d9r s TYR 63 Cb 0.00 -2.98 -0.09 0.00 0.35 0.00 0.00 41.96 39.24 2d9r s TYR 63 CO 0.00 -0.38 1.13 -1.25 -1.34 0.00 0.00 175.55 173.71 2d9r s PRO 64 N 2.72 4.25 -0.15 4.97 0.04 -1.26 -1.13 135.00 144.45 2d9r s PRO 64 Ca 0.32 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 2d9r s PRO 64 Cb -0.15 -2.81 0.05 0.00 0.04 0.00 0.00 34.50 31.62 2d9r s PRO 64 CO 0.08 -0.13 0.37 -0.47 0.04 0.00 0.00 177.00 176.89 2d9r s TYR 65 N -1.38 -0.47 -0.19 0.56 5.04 0.74 -4.94 117.35 116.70 2d9r s TYR 65 Ca 0.53 1.08 -0.05 0.00 -2.44 0.00 0.00 57.07 56.19 2d9r s TYR 65 Cb -0.30 0.18 -0.03 0.00 0.35 0.00 0.00 41.96 42.16 2d9r s TYR 65 CO 0.38 -0.26 0.00 0.99 -1.34 0.00 0.00 175.55 175.32 2d9r s THR 66 N 0.79 4.02 0.00 4.34 2.01 -1.26 0.31 115.64 125.84 2d9r s THR 66 Ca -0.05 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.66 2d9r s THR 66 Cb -0.06 -2.81 0.00 0.00 0.01 0.00 0.00 72.50 69.64 2d9r s THR 66 CO -0.06 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 2d9r n GLY 67 N 4.12 1.80 3.09 4.40 0.00 -0.89 -5.00 105.19 112.71 2d9r n GLY 67 Ca -0.17 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 2d9r n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d9r s TYR 68 N -2.00 1.90 -0.07 1.61 2.02 -1.26 -0.35 117.35 119.20 2d9r s TYR 68 Ca 0.00 -0.77 -0.30 0.00 -0.37 0.00 0.00 57.07 55.63 2d9r s TYR 68 Cb 0.00 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.19 2d9r s TYR 68 CO 0.00 -0.36 1.22 0.42 -1.57 0.00 0.00 175.55 175.26 2d9r s ILE 69 N 0.62 4.23 0.20 2.71 1.01 0.49 -4.47 121.20 125.98 2d9r s ILE 69 Ca -0.15 1.55 0.11 0.00 0.00 0.00 0.00 60.65 62.17 2d9r s ILE 69 Cb -0.16 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 2d9r s ILE 69 CO 0.04 -0.02 -0.23 0.68 0.00 0.00 0.00 174.94 175.41 2d9r s VAL 70 N 2.44 2.30 0.64 2.92 -7.23 -0.37 -1.87 120.40 119.23 2d9r s VAL 70 Ca 0.56 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 2d9r s VAL 70 Cb -0.24 -2.11 0.06 0.00 0.56 0.00 0.00 36.38 34.65 2d9r s VAL 70 CO 0.21 -0.16 0.90 -0.13 -0.31 0.00 0.00 175.10 175.62 2d9r s ARG 71 N -2.74 2.26 -0.03 4.82 0.52 -1.26 -1.54 118.95 120.98 2d9r s ARG 71 Ca 0.21 -0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 54.50 2d9r s ARG 71 Cb -0.07 -2.34 -0.06 0.00 0.52 0.00 0.00 34.95 33.00 2d9r s ARG 71 CO 0.10 -1.04 1.57 0.20 0.02 0.00 0.00 175.30 176.15 2d9r s GLY 73 N -4.51 1.61 0.08 -3.53 0.00 -1.26 -4.98 107.32 94.73 2d9r s GLY 73 Ca 0.60 0.93 -0.37 0.00 0.00 0.00 0.00 44.72 45.88 2d9r s GLY 73 CO 0.42 2.86 1.37 1.04 0.00 0.00 0.00 173.10 178.79 2d9r n LEU 74 N 6.49 1.76 -1.58 0.66 7.99 -1.26 -3.21 117.00 127.84 2d9r n LEU 74 Ca 0.16 1.11 -0.02 0.00 -0.01 0.00 0.00 56.01 57.25 2d9r n LEU 74 Cb 0.43 -1.20 0.09 0.00 -0.11 0.00 0.00 43.42 42.62 2d9r n LEU 74 CO 0.61 -0.98 0.17 -0.81 -1.51 0.00 0.00 177.39 174.87 2d9r n PRO 75 N 2.69 1.60 0.00 3.23 -0.04 -1.26 -5.12 135.00 136.11 2d9r n PRO 75 Ca 0.19 -3.16 0.00 0.00 -0.04 0.00 0.00 63.50 60.48 2d9r n PRO 75 Cb 0.19 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2d9r n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d9r s HIS 77 N 0.00 1.90 0.15 0.00 3.76 -1.26 -4.25 115.29 115.58 2d9r s HIS 77 Ca 0.00 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.55 2d9r s HIS 77 Cb 0.00 -1.23 -0.04 0.00 1.11 0.00 0.00 32.58 32.41 2d9r s HIS 77 CO 0.00 -0.07 -0.11 0.96 -0.85 0.00 0.00 174.74 174.68 2d9r s ILE 78 N -0.39 1.22 -0.09 0.60 -4.36 -0.59 -1.07 121.20 116.51 2d9r s ILE 78 Ca 0.05 -2.07 0.02 0.00 -0.26 0.00 0.00 60.65 58.39 2d9r s ILE 78 Cb -0.09 -1.86 0.01 0.00 1.25 0.00 0.00 42.46 41.77 2d9r s ILE 78 CO -0.00 -0.73 -0.13 -0.22 0.24 0.00 0.00 174.94 174.09 2d9r s LEU 79 N -3.18 1.64 0.45 0.37 0.20 -0.35 -1.24 118.68 116.57 2d9r s LEU 79 Ca 0.17 -0.36 -0.23 0.00 0.69 0.00 0.00 54.13 54.39 2d9r s LEU 79 Cb 0.02 -0.96 -0.08 0.00 -0.43 0.00 0.00 46.19 44.74 2d9r s LEU 79 CO 0.01 0.01 1.16 -0.83 -0.29 0.00 0.00 176.35 176.41 2d9r s GLY 80 N 0.91 2.79 -0.31 7.98 0.00 -1.26 -1.08 107.32 116.34 2d9r s GLY 80 Ca -0.09 0.93 0.02 0.00 0.00 0.00 0.00 44.72 45.57 2d9r s GLY 80 CO 0.00 1.39 0.00 -2.27 0.00 0.00 0.00 173.10 172.23 2d9r s LEU 81 N -2.93 4.20 0.58 0.66 2.96 0.35 -4.86 118.68 119.64 2d9r s LEU 81 Ca 0.62 -1.71 -0.19 0.00 -0.22 0.00 0.00 54.13 52.62 2d9r s LEU 81 Cb -0.29 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2d9r s LEU 81 CO 0.35 -0.31 1.23 -0.13 -1.32 0.00 0.00 176.35 176.16 2d9r s ARG 82 N 1.06 3.04 0.28 1.98 0.52 -1.26 -3.67 118.95 120.89 2d9r s ARG 82 Ca 0.01 1.88 0.01 0.00 -0.52 0.00 0.00 55.73 57.10 2d9r s ARG 82 Cb -0.20 -2.00 0.55 0.00 0.52 0.00 0.00 34.95 33.82 2d9r s ARG 82 CO -0.05 -1.17 1.81 0.37 0.02 0.00 0.00 175.30 176.28 2d9r h GLN 83 N 1.04 0.82 -0.22 3.54 4.15 -1.95 -1.59 115.11 120.90 2d9r h GLN 83 Ca -0.50 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 58.74 2d9r h GLN 83 Cb 1.30 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 2d9r h GLN 83 CO 0.56 0.55 -0.39 0.38 -1.93 0.00 0.00 178.83 177.99 2d9r h ASP 84 N 0.85 0.53 -0.40 -0.69 2.03 -2.00 -1.97 116.42 114.77 2d9r h ASP 84 Ca 0.49 -0.23 -0.13 0.00 -0.73 0.00 0.00 57.03 56.42 2d9r h ASP 84 Cb 0.57 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 38.91 2d9r h ASP 84 CO -0.30 0.87 -0.28 0.40 -1.03 0.00 0.00 179.24 178.90 2d9r h ILE 85 N 0.42 1.28 -0.98 4.15 2.04 -1.81 -1.80 117.51 120.81 2d9r h ILE 85 Ca 0.04 -1.44 0.08 0.00 1.00 0.00 0.00 64.86 64.55 2d9r h ILE 85 Cb 0.87 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 2d9r h ILE 85 CO 0.07 0.48 0.63 0.03 0.00 0.00 0.00 178.15 179.36 2d9r h ARG 86 N 0.71 1.04 -0.44 2.37 3.08 -1.03 -1.25 114.38 118.86 2d9r h ARG 86 Ca 0.08 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 2d9r h ARG 86 Cb 0.85 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 2d9r h ARG 86 CO 0.07 0.69 -0.19 0.00 -1.07 0.00 0.00 179.97 179.47 2d9r h ARG 87 N 1.07 0.86 -0.59 0.04 3.08 -1.25 0.74 114.38 118.33 2d9r h ARG 87 Ca 0.44 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2d9r h ARG 87 Cb 0.29 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 2d9r h ARG 87 CO -0.19 0.98 0.27 0.00 -1.07 0.00 0.00 179.97 179.96 2d9r h ALA 88 N 1.02 1.37 -0.01 0.04 0.00 -0.39 -3.02 119.26 118.27 2d9r h ALA 88 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2d9r h ALA 88 Cb 0.72 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2d9r h ALA 88 CO 0.06 0.49 -0.30 0.44 0.00 0.00 0.00 179.25 179.94 2d9r n ILE 89 N -4.35 0.00 -3.22 0.00 -5.35 -0.57 -4.99 119.36 100.87 2d9r n ILE 89 Ca 0.05 -0.35 -0.16 0.00 -0.27 0.00 0.00 62.75 62.03 2d9r n ILE 89 Cb 0.14 1.25 0.07 0.00 -1.74 0.00 0.00 39.64 39.35 2d9r n ILE 89 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2d9r n GLY 90 N 1.19 -0.21 3.10 3.28 0.00 0.15 -5.03 105.19 107.67 2d9r n GLY 90 Ca 0.08 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2d9r n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d9r s LYS 91 N -5.45 1.28 0.32 1.61 -0.14 -0.57 -5.04 119.74 111.75 2d9r s LYS 91 Ca 0.18 -0.50 0.05 0.00 -1.36 0.00 0.00 55.97 54.34 2d9r s LYS 91 Cb -0.08 -1.19 -0.06 0.00 -1.68 0.00 0.00 37.83 34.82 2d9r s LYS 91 CO 0.58 0.26 0.01 1.14 -0.76 0.00 0.00 175.35 176.58 2d9r s GLN 92 N -0.15 1.67 0.09 1.68 -2.07 -1.26 -4.63 119.66 114.98 2d9r s GLN 92 Ca 0.02 -1.91 -0.36 0.00 -1.82 0.00 0.00 55.36 51.29 2d9r s GLN 92 Cb -0.08 -1.08 -0.18 0.00 -1.09 0.00 0.00 33.01 30.58 2d9r s GLN 92 CO 0.00 -0.09 1.10 -2.30 -1.32 0.00 0.00 175.29 172.68 2d9r n PRO 93 N -0.70 0.60 0.00 9.60 -0.02 -1.26 -0.53 135.00 142.69 2d9r n PRO 93 Ca -0.04 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2d9r n PRO 93 Cb 0.66 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 2d9r n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2d9r n GLY 94 N 1.95 2.97 3.79 -1.23 0.00 0.37 -4.99 105.19 108.06 2d9r n GLY 94 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2d9r n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d9r s ASP 95 N 0.97 6.21 0.26 1.61 1.01 0.31 -4.72 116.67 122.32 2d9r s ASP 95 Ca 0.00 2.04 -0.24 0.00 0.71 0.00 0.00 52.55 55.06 2d9r s ASP 95 Cb 0.00 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.27 2d9r s ASP 95 CO 0.00 -0.87 0.85 -0.55 0.21 0.00 0.00 175.17 174.81 2d9r s SER 96 N -1.82 7.29 -0.01 0.27 0.15 -1.26 -0.74 113.70 117.57 2d9r s SER 96 Ca 0.67 1.69 0.02 0.00 0.70 0.00 0.00 55.95 59.03 2d9r s SER 96 Cb -0.20 -2.52 -0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2d9r s SER 96 CO 0.24 0.03 -0.05 0.54 1.20 0.00 0.00 173.24 175.19 2d9r s VAL 97 N -1.48 0.45 -0.21 4.45 0.11 0.60 -4.92 120.40 119.40 2d9r s VAL 97 Ca 0.45 -0.22 -0.24 0.00 -2.93 0.00 0.00 61.98 59.04 2d9r s VAL 97 Cb -0.19 -0.39 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 2d9r s VAL 97 CO 0.24 0.14 0.77 -0.47 -3.33 0.00 0.00 175.10 172.44 2d9r s TYR 98 N -0.00 3.35 -0.06 1.54 5.04 -1.26 -1.04 117.35 124.92 2d9r s TYR 98 Ca 0.01 1.09 0.03 0.00 -2.44 0.00 0.00 57.07 55.76 2d9r s TYR 98 Cb -0.04 -2.96 -0.03 0.00 0.35 0.00 0.00 41.96 39.28 2d9r s TYR 98 CO -0.00 -0.30 -0.13 0.08 -1.34 0.00 0.00 175.55 173.86 2d9r s VAL 99 N 2.40 3.15 0.16 3.14 1.01 0.43 -0.50 120.40 130.19 2d9r s VAL 99 Ca 0.34 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.73 2d9r s VAL 99 Cb -0.16 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2d9r s VAL 99 CO 0.10 0.59 -0.22 0.42 0.00 0.00 0.00 175.10 175.98 2d9r s THR 100 N -0.65 2.07 -0.01 3.92 -4.23 -0.83 -1.22 115.64 114.69 2d9r s THR 100 Ca 0.10 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2d9r s THR 100 Cb -0.11 -1.93 0.01 0.00 1.34 0.00 0.00 72.50 71.81 2d9r s THR 100 CO 0.01 -0.15 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.18 2d9r s LEU 101 N -2.49 1.69 -0.04 4.79 1.43 0.74 -1.63 118.68 123.18 2d9r s LEU 101 Ca 0.16 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2d9r s LEU 101 Cb -0.08 -0.10 0.03 0.00 0.03 0.00 0.00 46.19 46.07 2d9r s LEU 101 CO 0.07 -0.03 -0.00 -0.76 0.23 0.00 0.00 176.35 175.86 2d9r s LEU 102 N 0.35 1.02 0.50 1.79 1.43 -0.35 -1.23 118.68 122.19 2d9r s LEU 102 Ca -0.03 -0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 52.82 2d9r s LEU 102 Cb -0.05 -0.30 -0.07 0.00 0.03 0.00 0.00 46.19 45.80 2d9r s LEU 102 CO -0.01 -0.12 1.08 -2.16 0.23 0.00 0.00 176.35 175.37 2d9r s PRO 103 N 1.25 3.65 0.00 1.29 0.04 -1.26 0.06 135.00 140.02 2d9r s PRO 103 Ca -0.06 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2d9r s PRO 103 Cb -0.13 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2d9r s PRO 103 CO -0.02 -0.58 0.50 1.28 0.04 0.00 0.00 177.00 178.22