#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dsx s ARG 34 N 0.00 2.31 -0.06 3.44 0.52 -1.26 -1.50 118.95 122.40 1dsx s ARG 34 Ca 0.00 -1.03 0.06 0.00 -0.52 0.00 0.00 55.73 54.23 1dsx s ARG 34 Cb 0.00 -2.36 -0.01 0.00 0.52 0.00 0.00 34.95 33.10 1dsx s ARG 34 CO 0.00 0.49 -0.24 0.08 0.02 0.00 0.00 175.30 175.65 1dsx s VAL 35 N -1.46 1.98 -0.21 3.52 1.01 0.75 -4.84 120.40 121.15 1dsx s VAL 35 Ca 0.25 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 1dsx s VAL 35 Cb -0.10 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1dsx s VAL 35 CO 0.17 0.55 0.08 -0.69 0.00 0.00 0.00 175.10 175.21 1dsx s VAL 36 N -0.13 4.74 -0.20 2.92 1.01 -1.26 -1.56 120.40 125.92 1dsx s VAL 36 Ca -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 1dsx s VAL 36 Cb -0.14 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1dsx s VAL 36 CO 0.04 0.40 -0.15 -0.63 0.00 0.00 0.00 175.10 174.76 1dsx s ILE 37 N 0.87 2.48 -0.41 2.22 1.01 0.13 -1.08 121.20 126.42 1dsx s ILE 37 Ca 0.04 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 1dsx s ILE 37 Cb -0.14 -2.09 0.06 0.00 0.01 0.00 0.00 42.46 40.30 1dsx s ILE 37 CO 0.03 0.47 0.27 0.21 0.00 0.00 0.00 174.94 175.92 1dsx s ASN 38 N 1.34 5.75 -0.51 3.58 3.84 0.43 -0.07 114.94 129.31 1dsx s ASN 38 Ca 0.05 -1.33 -0.16 0.00 0.21 0.00 0.00 52.86 51.63 1dsx s ASN 38 Cb -0.14 -2.03 0.10 0.00 -0.55 0.00 0.00 41.25 38.63 1dsx s ASN 38 CO -0.10 -0.51 0.48 -0.63 -2.79 0.00 0.00 177.10 173.55 1dsx s ILE 39 N 1.50 5.17 -1.73 -5.21 -1.09 -0.09 -0.98 121.20 118.76 1dsx s ILE 39 Ca 0.03 -1.19 -0.19 0.00 -2.23 0.00 0.00 60.65 57.07 1dsx s ILE 39 Cb -0.22 -4.25 0.17 0.00 -1.58 0.00 0.00 42.46 36.58 1dsx s ILE 39 CO 0.04 -0.75 0.74 -1.20 -1.23 0.00 0.00 174.94 172.54 1dsx n SER 40 N 5.38 -2.93 0.00 3.58 7.64 -0.14 -1.15 113.62 125.99 1dsx n SER 40 Ca -0.12 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.70 1dsx n SER 40 Cb 0.42 -2.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.08 1dsx n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dsx n GLY 41 N -1.36 3.03 3.61 0.23 0.00 -1.26 -5.05 105.19 104.38 1dsx n GLY 41 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1dsx n GLY 41 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dsx s LEU 42 N 0.00 4.12 -0.18 0.99 2.96 -0.30 -5.05 118.68 121.23 1dsx s LEU 42 Ca 0.00 0.47 -0.15 0.00 -0.22 0.00 0.00 54.13 54.23 1dsx s LEU 42 Cb 0.00 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 1dsx s LEU 42 CO 0.00 -0.42 0.34 -0.13 -1.32 0.00 0.00 176.35 174.82 1dsx s ARG 43 N 2.51 4.22 0.08 1.98 0.52 -1.26 -0.92 118.95 126.08 1dsx s ARG 43 Ca 0.24 0.14 0.06 0.00 -0.52 0.00 0.00 55.73 55.66 1dsx s ARG 43 Cb -0.15 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 1dsx s ARG 43 CO 0.11 0.12 -0.11 -0.06 0.02 0.00 0.00 175.30 175.38 1dsx s PHE 44 N 0.84 2.74 -0.06 -0.53 0.40 0.90 -4.97 117.98 117.29 1dsx s PHE 44 Ca 0.18 -0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 1dsx s PHE 44 Cb -0.14 -1.47 0.02 0.00 0.51 0.00 0.00 43.02 41.94 1dsx s PHE 44 CO 0.06 0.39 -0.06 -1.21 0.70 0.00 0.00 175.22 175.10 1dsx s GLU 45 N -1.96 1.09 0.01 0.44 2.02 -1.26 -0.69 118.70 118.35 1dsx s GLU 45 Ca 0.20 -0.18 -0.05 0.00 0.02 0.00 0.00 54.97 54.96 1dsx s GLU 45 Cb -0.11 -1.05 -0.00 0.00 0.10 0.00 0.00 34.13 33.06 1dsx s GLU 45 CO 0.11 -0.08 0.09 0.54 0.02 0.00 0.00 175.26 175.94 1dsx s VAL 46 N 0.99 0.09 0.33 2.63 0.11 -0.60 -4.99 120.40 118.96 1dsx s VAL 46 Ca -0.10 -0.74 -0.28 0.00 -2.93 0.00 0.00 61.98 57.94 1dsx s VAL 46 Cb -0.14 -0.37 -0.09 0.00 -1.53 0.00 0.00 36.38 34.24 1dsx s VAL 46 CO -0.00 -0.40 1.12 -1.10 -3.33 0.00 0.00 175.10 171.39 1dsx s GLN 47 N -1.37 4.41 0.38 1.54 -0.21 -1.26 -0.18 119.66 122.97 1dsx s GLN 47 Ca -0.15 1.79 0.05 0.00 0.02 0.00 0.00 55.36 57.08 1dsx s GLN 47 Cb -0.08 -2.96 0.74 0.00 1.00 0.00 0.00 33.01 31.71 1dsx s GLN 47 CO 0.01 0.01 2.02 1.25 -2.12 0.00 0.00 175.29 176.46 1dsx h LEU 48 N 3.30 0.62 -1.30 2.90 5.85 -1.59 -1.18 115.31 123.92 1dsx h LEU 48 Ca -0.48 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.27 1dsx h LEU 48 Cb 1.22 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 1dsx h LEU 48 CO 0.65 0.44 0.50 0.07 -0.34 0.00 0.00 178.44 179.75 1dsx h LYS 49 N 0.72 0.88 -0.68 1.25 2.10 -1.92 -0.02 116.57 118.91 1dsx h LYS 49 Ca 0.22 -0.05 0.01 0.00 -2.00 0.00 0.00 60.65 58.82 1dsx h LYS 49 Cb -0.01 -0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 31.08 1dsx h LYS 49 CO -0.05 0.59 0.44 1.15 -2.00 0.00 0.00 179.45 179.58 1dsx h THR 50 N 0.91 1.16 -0.05 0.07 2.02 -1.60 -2.40 112.91 113.02 1dsx h THR 50 Ca 0.30 -0.31 -0.19 0.00 0.77 0.00 0.00 66.41 66.98 1dsx h THR 50 Cb 0.06 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1dsx h THR 50 CO -0.09 0.16 -0.77 -0.07 0.37 0.00 0.00 175.52 175.13 1dsx h LEU 51 N 0.90 0.43 -2.42 2.58 3.38 -1.31 -3.20 115.31 115.67 1dsx h LEU 51 Ca 0.25 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1dsx h LEU 51 Cb -0.09 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1dsx h LEU 51 CO -0.06 1.05 0.11 0.00 0.09 0.00 0.00 178.44 179.62 1dsx h ALA 52 N 0.94 1.54 -0.83 1.53 0.00 -0.53 -2.67 119.26 119.24 1dsx h ALA 52 Ca -0.04 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.06 1dsx h ALA 52 Cb 1.36 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 1dsx h ALA 52 CO 0.13 -0.15 0.33 1.96 0.00 0.00 0.00 179.25 181.52 1dsx h GLN 53 N 0.00 0.39 -3.46 0.00 4.20 -1.48 -3.31 115.11 111.44 1dsx h GLN 53 Ca 0.04 -0.02 -0.69 0.00 0.06 0.00 0.00 58.65 58.04 1dsx h GLN 53 Cb 0.26 -0.09 -0.36 0.00 0.30 0.00 0.00 27.48 27.59 1dsx h GLN 53 CO -0.00 0.25 -0.35 -0.06 -0.67 0.00 0.00 178.83 178.00 1dsx s PHE 54 N -5.95 3.48 -0.93 2.96 0.40 -1.01 -4.94 117.98 111.98 1dsx s PHE 54 Ca -0.12 -2.87 0.23 0.00 -0.60 0.00 0.00 56.93 53.57 1dsx s PHE 54 Cb 0.23 -3.14 0.94 0.00 0.51 0.00 0.00 43.02 41.57 1dsx s PHE 54 CO 0.77 -0.79 1.72 -0.35 0.70 0.00 0.00 175.22 177.27 1dsx n PRO 55 N 3.12 0.04 -0.20 0.24 -0.04 -1.25 -2.80 135.00 134.11 1dsx n PRO 55 Ca 0.11 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.82 1dsx n PRO 55 Cb 0.37 -1.56 0.27 0.00 -0.04 0.00 0.00 33.50 32.53 1dsx n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1dsx n GLU 56 N -1.63 2.18 -3.19 0.54 1.02 -1.26 -3.88 120.64 114.41 1dsx n GLU 56 Ca 0.05 -1.81 -0.18 0.00 -0.02 0.00 0.00 57.16 55.21 1dsx n GLU 56 Cb 0.27 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1dsx n GLU 56 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1dsx s THR 57 N -1.47 3.27 0.10 2.62 -4.23 -1.12 -4.95 115.64 109.86 1dsx s THR 57 Ca 0.36 -1.03 -0.29 0.00 -1.18 0.00 0.00 61.69 59.54 1dsx s THR 57 Cb 0.19 -3.11 -0.12 0.00 1.34 0.00 0.00 72.50 70.80 1dsx s THR 57 CO 0.27 -0.05 1.64 0.25 -0.54 0.00 0.00 174.62 176.19 1dsx h LEU 58 N 0.75 -0.73 -1.05 4.79 6.46 -1.68 -2.26 115.31 121.60 1dsx h LEU 58 Ca -0.42 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.37 1dsx h LEU 58 Cb 1.27 0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 41.44 1dsx h LEU 58 CO 0.48 -0.39 -0.17 -0.07 -0.62 0.00 0.00 178.44 177.67 1dsx h LEU 59 N -0.58 0.00 -0.68 2.25 3.38 -1.90 -2.60 115.31 115.18 1dsx h LEU 59 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1dsx h LEU 59 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1dsx h LEU 59 CO -0.05 0.17 -0.09 0.61 0.09 0.00 0.00 178.44 179.17 1dsx n GLY 60 N 0.26 -0.35 3.25 0.83 0.00 -1.11 -4.76 105.19 103.31 1dsx n GLY 60 Ca 0.01 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1dsx n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dsx s ASP 61 N -2.20 4.54 0.24 1.61 -1.08 -0.87 -4.26 116.67 114.67 1dsx s ASP 61 Ca 0.34 -0.80 -0.04 0.00 -0.52 0.00 0.00 52.55 51.53 1dsx s ASP 61 Cb 0.20 -1.73 0.45 0.00 -1.46 0.00 0.00 42.92 40.38 1dsx s ASP 61 CO 0.41 -0.14 1.73 -0.65 0.52 0.00 0.00 175.17 177.04 1dsx h PRO 62 N 8.08 0.43 -0.38 4.34 0.11 -1.85 -0.83 132.00 141.90 1dsx h PRO 62 Ca -0.33 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 1dsx h PRO 62 Cb 1.12 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1dsx h PRO 62 CO 0.58 0.29 0.12 0.87 -0.21 0.00 0.00 178.00 179.65 1dsx h LYS 63 N 0.45 0.59 -0.09 1.05 1.57 -1.94 -1.86 116.57 116.33 1dsx h LYS 63 Ca 0.41 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1dsx h LYS 63 Cb 0.61 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1dsx h LYS 63 CO -0.40 0.60 -0.01 0.87 -0.57 0.00 0.00 179.45 179.94 1dsx h LYS 64 N 0.46 0.17 0.00 3.15 1.57 -1.61 -3.12 116.57 117.19 1dsx h LYS 64 Ca 0.12 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1dsx h LYS 64 Cb 0.26 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1dsx h LYS 64 CO -0.00 0.47 -0.21 0.07 -0.57 0.00 0.00 179.45 179.21 1dsx h ARG 65 N -0.14 0.00 -0.31 3.15 0.11 -1.14 -3.08 114.38 112.97 1dsx h ARG 65 Ca 0.02 0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.20 1dsx h ARG 65 Cb 0.40 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 1dsx h ARG 65 CO 0.01 0.21 0.24 1.98 0.10 0.00 0.00 179.97 182.51 1dsx h MET 66 N 0.00 0.00 0.00 0.08 4.05 -1.27 -1.49 114.93 116.30 1dsx h MET 66 Ca -0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1dsx h MET 66 Cb 0.66 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.46 1dsx h MET 66 CO 0.03 0.00 -0.02 0.00 0.23 0.00 0.00 176.91 177.15 1dsx h ARG 67 N 0.00 0.00 -0.42 0.39 3.08 -1.66 -1.63 114.38 114.14 1dsx h ARG 67 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1dsx h ARG 67 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1dsx h ARG 67 CO -0.00 0.02 0.00 0.66 -1.07 0.00 0.00 179.97 179.58 1dsx n TYR 68 N -3.21 0.55 -2.98 3.04 4.02 -0.57 -5.00 117.16 113.02 1dsx n TYR 68 Ca -0.02 -0.35 -0.39 0.00 -0.01 0.00 0.00 57.90 57.13 1dsx n TYR 68 Cb 0.18 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.43 1dsx n TYR 68 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1dsx s PHE 69 N -1.17 3.89 -0.48 -0.72 5.36 -0.61 -0.70 117.98 123.55 1dsx s PHE 69 Ca 0.34 1.61 -0.01 0.00 -0.96 0.00 0.00 56.93 57.92 1dsx s PHE 69 Cb 0.19 -2.77 0.13 0.00 -0.34 0.00 0.00 43.02 40.23 1dsx s PHE 69 CO 0.26 0.49 0.26 0.34 -1.46 0.00 0.00 175.22 175.10 1dsx s ASP 70 N -1.01 5.03 0.40 6.13 -1.08 0.19 -4.96 116.67 121.37 1dsx s ASP 70 Ca 0.36 -2.45 0.17 0.00 -0.52 0.00 0.00 52.55 50.11 1dsx s ASP 70 Cb -0.23 -1.77 1.06 0.00 -1.46 0.00 0.00 42.92 40.52 1dsx s ASP 70 CO 0.26 -0.42 1.83 -0.65 0.52 0.00 0.00 175.17 176.71 1dsx h PRO 71 N 7.44 0.42 0.00 4.34 0.11 -1.96 -0.88 132.00 141.46 1dsx h PRO 71 Ca -0.07 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1dsx h PRO 71 Cb 0.99 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1dsx h PRO 71 CO 0.67 0.28 0.00 1.28 -0.21 0.00 0.00 178.00 180.02 1dsx n LEU 72 N -4.56 0.00 -0.14 2.35 4.77 -1.26 -3.65 117.00 114.51 1dsx n LEU 72 Ca 0.21 0.36 0.02 0.00 -0.03 0.00 0.00 56.01 56.57 1dsx n LEU 72 Cb 0.74 -0.36 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1dsx n LEU 72 CO 0.29 -0.01 0.39 0.54 -1.33 0.00 0.00 177.39 177.28 1dsx n ARG 73 N -1.36 1.10 -3.60 3.23 1.74 -0.86 -5.03 116.66 111.88 1dsx n ARG 73 Ca 0.12 -1.40 -0.12 0.00 -0.77 0.00 0.00 57.85 55.67 1dsx n ARG 73 Cb 0.27 -0.88 -0.00 0.00 -1.02 0.00 0.00 32.46 30.83 1dsx n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1dsx n ASN 74 N -0.49 -0.76 -3.44 0.55 4.05 -0.39 -4.96 115.26 109.82 1dsx n ASN 74 Ca 0.04 -0.38 -0.13 0.00 0.45 0.00 0.00 54.58 54.57 1dsx n ASN 74 Cb 0.52 -0.45 -0.03 0.00 1.23 0.00 0.00 39.78 41.05 1dsx n ASN 74 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 1dsx s GLU 75 N -5.31 1.25 -0.18 1.20 -1.05 -1.20 -4.43 118.70 108.97 1dsx s GLU 75 Ca 0.10 -0.40 -0.12 0.00 -0.15 0.00 0.00 54.97 54.40 1dsx s GLU 75 Cb -0.06 0.58 -0.05 0.00 -0.44 0.00 0.00 34.13 34.16 1dsx s GLU 75 CO 0.28 -0.53 0.22 0.71 0.95 0.00 0.00 175.26 176.90 1dsx s TYR 76 N -3.48 3.44 -0.12 4.83 1.51 -0.24 -0.63 117.35 122.66 1dsx s TYR 76 Ca -0.00 0.48 0.01 0.00 -1.01 0.00 0.00 57.07 56.55 1dsx s TYR 76 Cb -0.01 -2.27 -0.01 0.00 -0.11 0.00 0.00 41.96 39.56 1dsx s TYR 76 CO -0.10 0.26 -0.15 0.12 -1.11 0.00 0.00 175.55 174.56 1dsx s PHE 77 N 0.42 2.75 -0.11 2.71 5.36 0.13 -0.42 117.98 128.82 1dsx s PHE 77 Ca 0.13 -0.70 0.03 0.00 -0.96 0.00 0.00 56.93 55.43 1dsx s PHE 77 Cb -0.12 -1.80 0.01 0.00 -0.34 0.00 0.00 43.02 40.76 1dsx s PHE 77 CO 0.01 -0.23 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.27 1dsx s PHE 78 N 0.29 2.37 -1.28 10.12 0.40 -0.16 -4.82 117.98 124.91 1dsx s PHE 78 Ca -0.11 -1.06 -0.07 0.00 -0.60 0.00 0.00 56.93 55.09 1dsx s PHE 78 Cb -0.16 -1.62 0.16 0.00 0.51 0.00 0.00 43.02 41.91 1dsx s PHE 78 CO 0.06 -0.47 2.08 -3.47 0.70 0.00 0.00 175.22 174.12 1dsx n ASP 79 N 3.83 6.59 -4.27 1.36 -0.08 -1.26 -0.96 116.55 121.74 1dsx n ASP 79 Ca -0.20 -3.17 -0.21 0.00 -1.51 0.00 0.00 54.79 49.70 1dsx n ASP 79 Cb 0.52 -1.40 -0.10 0.00 2.34 0.00 0.00 41.12 42.49 1dsx n ASP 79 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1dsx s ARG 80 N -0.70 1.67 0.20 -0.67 0.52 -1.26 -4.95 118.95 113.75 1dsx s ARG 80 Ca 0.45 -1.96 -0.33 0.00 -0.52 0.00 0.00 55.73 53.38 1dsx s ARG 80 Cb 0.14 -0.57 -0.13 0.00 0.52 0.00 0.00 34.95 34.90 1dsx s ARG 80 CO -0.04 -0.32 1.58 -1.71 0.02 0.00 0.00 175.30 174.83 1dsx n ASN 81 N -0.84 3.32 -0.05 0.23 5.15 -1.26 -4.37 115.26 117.44 1dsx n ASN 81 Ca -0.02 1.09 -0.15 0.00 -0.60 0.00 0.00 54.58 54.90 1dsx n ASN 81 Cb 0.66 -1.48 -0.13 0.00 -0.53 0.00 0.00 39.78 38.30 1dsx n ASN 81 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1dsx h ARG 82 N 5.71 0.06 -0.24 1.20 3.08 -1.98 -3.35 114.38 118.86 1dsx h ARG 82 Ca -0.45 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 59.58 1dsx h ARG 82 Cb 1.24 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 1dsx h ARG 82 CO 0.87 1.01 0.18 -1.35 -1.07 0.00 0.00 179.97 179.62 1dsx h PRO 83 N -0.85 0.00 0.00 0.04 0.11 -1.99 -1.95 132.00 127.36 1dsx h PRO 83 Ca -0.02 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 1dsx h PRO 83 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1dsx h PRO 83 CO 0.03 0.00 -0.40 0.77 -0.21 0.00 0.00 178.00 178.19 1dsx h SER 84 N 0.00 0.00 0.58 -2.05 0.02 -1.98 -3.33 113.55 106.80 1dsx h SER 84 Ca 0.11 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1dsx h SER 84 Cb 0.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1dsx h SER 84 CO -0.00 0.40 -0.29 0.15 -1.14 0.00 0.00 176.83 175.95 1dsx h PHE 85 N 0.00 0.00 -0.91 3.45 3.57 -1.49 -2.56 116.94 119.01 1dsx h PHE 85 Ca -0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1dsx h PHE 85 Cb 0.94 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.62 1dsx h PHE 85 CO 0.00 0.29 0.57 -0.44 -2.23 0.00 0.00 178.31 176.50 1dsx h ASP 86 N 0.00 0.92 0.55 0.41 3.32 -1.74 0.46 116.42 120.34 1dsx h ASP 86 Ca -0.00 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 1dsx h ASP 86 Cb 0.66 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1dsx h ASP 86 CO 0.04 0.60 -0.70 0.00 -1.72 0.00 0.00 179.24 177.45 1dsx h ALA 87 N 1.41 0.78 -0.19 3.45 0.00 -1.71 -0.61 119.26 122.39 1dsx h ALA 87 Ca 0.38 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1dsx h ALA 87 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1dsx h ALA 87 CO -0.16 0.83 0.04 0.82 0.00 0.00 0.00 179.25 180.78 1dsx h ILE 88 N 0.09 1.21 -0.97 0.00 1.08 -0.95 -2.54 117.51 115.42 1dsx h ILE 88 Ca -0.02 -0.67 0.01 0.00 -0.39 0.00 0.00 64.86 63.79 1dsx h ILE 88 Cb 1.25 1.28 -0.05 0.00 -3.07 0.00 0.00 36.82 36.24 1dsx h ILE 88 CO 0.10 0.21 0.63 0.25 -0.69 0.00 0.00 178.15 178.65 1dsx h LEU 89 N 0.12 1.13 -1.97 1.44 5.85 -0.90 -2.66 115.31 118.34 1dsx h LEU 89 Ca 0.06 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1dsx h LEU 89 Cb 0.28 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1dsx h LEU 89 CO 0.00 0.83 -0.08 0.22 -0.34 0.00 0.00 178.44 179.07 1dsx h TYR 90 N 1.32 0.00 -0.53 1.25 3.20 -0.87 -1.27 116.97 120.07 1dsx h TYR 90 Ca 0.35 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 1dsx h TYR 90 Cb -0.13 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 1dsx h TYR 90 CO 0.00 0.08 0.28 -0.92 -1.64 0.00 0.00 178.16 175.96 1dsx h TYR 91 N 0.00 0.75 -0.09 -3.82 3.20 -1.08 0.12 116.97 116.05 1dsx h TYR 91 Ca -0.00 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1dsx h TYR 91 Cb 0.33 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1dsx h TYR 91 CO 0.00 0.57 -0.13 1.88 -1.64 0.00 0.00 178.16 178.83 1dsx h TYR 92 N 0.71 0.31 -0.73 -3.82 -1.99 -1.39 0.18 116.97 110.24 1dsx h TYR 92 Ca 0.19 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 1dsx h TYR 92 Cb 0.08 -0.06 -0.04 0.00 2.00 0.00 0.00 36.73 38.71 1dsx h TYR 92 CO -0.01 0.72 0.40 1.96 -0.00 0.00 0.00 178.16 181.23 1dsx h GLN 93 N -0.19 1.01 -0.00 4.88 4.20 -1.06 -2.69 115.11 121.26 1dsx h GLN 93 Ca 0.01 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1dsx h GLN 93 Cb 0.68 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1dsx h GLN 93 CO 0.03 0.74 -0.04 -1.13 -0.67 0.00 0.00 178.83 177.76 1dsx n SER 94 N -4.36 0.33 -0.21 1.46 3.41 0.42 -4.90 113.62 109.76 1dsx n SER 94 Ca 0.07 -0.69 -0.02 0.00 -0.26 0.00 0.00 58.87 57.97 1dsx n SER 94 Cb 0.10 -0.09 -0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1dsx n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dsx n GLY 95 N 1.19 0.33 0.00 5.00 0.00 -1.01 -4.20 105.19 106.50 1dsx n GLY 95 Ca 0.18 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1dsx n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dsx n GLY 96 N -0.98 1.13 3.68 -0.02 0.00 0.61 -5.05 105.19 104.56 1dsx n GLY 96 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1dsx n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dsx s ARG 97 N -0.43 4.37 -0.36 1.61 0.52 -1.24 -4.98 118.95 118.43 1dsx s ARG 97 Ca 0.00 1.41 -0.08 0.00 -0.52 0.00 0.00 55.73 56.54 1dsx s ARG 97 Cb 0.00 -3.58 0.04 0.00 0.52 0.00 0.00 34.95 31.93 1dsx s ARG 97 CO 0.00 -0.43 0.16 -1.17 0.02 0.00 0.00 175.30 173.89 1dsx s LEU 98 N 2.41 4.58 -0.13 2.53 2.96 -1.26 -3.55 118.68 126.23 1dsx s LEU 98 Ca 0.48 -1.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.25 1dsx s LEU 98 Cb -0.18 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.59 1dsx s LEU 98 CO 0.15 -0.38 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.49 1dsx s ARG 99 N 1.45 2.58 -0.17 1.98 1.81 -1.26 -5.11 118.95 120.23 1dsx s ARG 99 Ca 0.00 -0.69 -0.29 0.00 -1.72 0.00 0.00 55.73 53.03 1dsx s ARG 99 Cb -0.20 -2.14 -0.00 0.00 -0.45 0.00 0.00 34.95 32.15 1dsx s ARG 99 CO 0.04 -0.06 1.08 0.50 -0.68 0.00 0.00 175.30 176.18 1dsx s ARG 100 N 0.95 4.31 0.62 3.54 3.52 -1.26 -4.82 118.95 125.81 1dsx s ARG 100 Ca -0.06 1.44 -0.19 0.00 -0.13 0.00 0.00 55.73 56.79 1dsx s ARG 100 Cb -0.15 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 29.60 1dsx s ARG 100 CO -0.03 -0.54 1.32 -2.14 -0.81 0.00 0.00 175.30 173.11 1dsx s PRO 101 N 2.82 2.69 0.33 5.12 0.02 -1.26 -4.92 135.00 139.80 1dsx s PRO 101 Ca 0.48 2.13 0.05 0.00 0.02 0.00 0.00 61.00 63.67 1dsx s PRO 101 Cb -0.18 -1.95 0.58 0.00 0.02 0.00 0.00 34.50 32.96 1dsx s PRO 101 CO 0.12 -1.51 1.84 0.28 -0.33 0.00 0.00 177.00 177.40 1dsx h VAL 102 N 0.78 1.21 -0.57 3.83 2.07 -2.01 -2.84 116.25 118.73 1dsx h VAL 102 Ca -0.51 -0.91 -0.11 0.00 0.82 0.00 0.00 66.70 65.99 1dsx h VAL 102 Cb 1.33 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 32.11 1dsx h VAL 102 CO 0.54 0.30 0.14 0.59 0.02 0.00 0.00 177.57 179.16 1dsx n ASN 103 N -4.24 4.61 -4.11 0.57 3.02 -1.26 -4.75 115.26 109.09 1dsx n ASN 103 Ca 0.01 -2.92 -0.33 0.00 -0.03 0.00 0.00 54.58 51.31 1dsx n ASN 103 Cb 0.29 -0.69 -0.15 0.00 -0.61 0.00 0.00 39.78 38.62 1dsx n ASN 103 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dsx s VAL 104 N -2.54 2.33 0.60 2.41 1.01 -1.07 -5.05 120.40 118.09 1dsx s VAL 104 Ca 0.46 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 1dsx s VAL 104 Cb 0.36 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1dsx s VAL 104 CO 0.12 0.17 0.88 -2.65 0.00 0.00 0.00 175.10 173.62 1dsx n PRO 105 N 4.54 0.79 -0.26 2.72 -0.02 -1.26 -4.70 135.00 136.81 1dsx n PRO 105 Ca -0.16 0.31 -0.04 0.00 -2.02 0.00 0.00 63.50 61.58 1dsx n PRO 105 Cb 0.45 -2.08 0.06 0.00 -0.02 0.00 0.00 33.50 31.92 1dsx n PRO 105 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1dsx h LEU 106 N 0.39 0.80 -0.44 2.45 5.85 -1.97 -0.32 115.31 122.07 1dsx h LEU 106 Ca -0.48 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.15 1dsx h LEU 106 Cb 1.37 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1dsx h LEU 106 CO 0.50 0.57 -0.00 -2.24 -0.34 0.00 0.00 178.44 176.93 1dsx h ASP 107 N 0.95 0.76 0.08 1.25 2.03 -1.99 0.36 116.42 119.85 1dsx h ASP 107 Ca 0.27 -0.31 -0.00 0.00 -0.73 0.00 0.00 57.03 56.26 1dsx h ASP 107 Cb -0.08 -0.20 -0.00 0.00 -0.83 0.00 0.00 39.33 38.22 1dsx h ASP 107 CO -0.07 0.88 -0.04 0.40 -1.03 0.00 0.00 179.24 179.38 1dsx h ILE 108 N 0.62 0.91 -0.69 4.15 2.04 -1.89 -2.01 117.51 120.64 1dsx h ILE 108 Ca 0.12 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 1dsx h ILE 108 Cb 0.50 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1dsx h ILE 108 CO 0.02 0.00 0.33 0.15 0.00 0.00 0.00 178.15 178.65 1dsx h PHE 109 N -0.11 1.00 -0.91 1.37 3.57 -0.90 -2.06 116.94 118.89 1dsx h PHE 109 Ca -0.01 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.45 1dsx h PHE 109 Cb 0.09 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.48 1dsx h PHE 109 CO -0.08 0.75 0.60 0.77 -2.23 0.00 0.00 178.31 178.12 1dsx h SER 110 N 0.96 1.04 -0.75 0.41 0.02 -0.78 -0.21 113.55 114.24 1dsx h SER 110 Ca 0.24 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1dsx h SER 110 Cb 0.13 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1dsx h SER 110 CO -0.03 0.75 0.26 -0.08 -1.14 0.00 0.00 176.83 176.59 1dsx h GLU 111 N 1.23 1.15 -0.50 3.45 4.57 -0.99 -1.80 114.58 121.70 1dsx h GLU 111 Ca 0.34 -0.23 -0.11 0.00 -1.18 0.00 0.00 59.36 58.17 1dsx h GLU 111 Cb -0.14 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.27 1dsx h GLU 111 CO -0.07 0.97 -0.13 0.93 -1.18 0.00 0.00 179.01 179.52 1dsx h GLU 112 N 1.11 0.97 -0.75 1.92 4.39 -0.66 -0.31 114.58 121.25 1dsx h GLU 112 Ca 0.25 -0.38 0.07 0.00 0.34 0.00 0.00 59.36 59.64 1dsx h GLU 112 Cb 0.28 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.81 1dsx h GLU 112 CO -0.01 1.05 0.43 0.82 -1.16 0.00 0.00 179.01 180.13 1dsx h ILE 113 N 0.83 0.96 -0.21 3.13 2.04 -0.89 -0.55 117.51 122.82 1dsx h ILE 113 Ca 0.13 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1dsx h ILE 113 Cb 0.69 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1dsx h ILE 113 CO 0.05 0.14 0.02 0.03 0.00 0.00 0.00 178.15 178.39 1dsx h ARG 114 N 0.76 0.36 -0.46 2.37 3.08 -0.99 -1.97 114.38 117.53 1dsx h ARG 114 Ca 0.34 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.32 1dsx h ARG 114 Cb 0.24 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1dsx h ARG 114 CO -0.20 0.52 0.25 0.35 -1.07 0.00 0.00 179.97 179.83 1dsx h PHE 115 N 0.14 0.47 0.00 3.04 3.57 -0.50 -2.07 116.94 121.60 1dsx h PHE 115 Ca 0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1dsx h PHE 115 Cb 0.35 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1dsx h PHE 115 CO 0.03 0.26 0.00 0.66 -2.23 0.00 0.00 178.31 177.02 1dsx n TYR 116 N -4.86 0.00 -3.46 0.41 4.02 -0.26 -4.83 117.16 108.17 1dsx n TYR 116 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.72 1dsx n TYR 116 Cb 0.09 -0.01 0.08 0.00 -0.02 0.00 0.00 39.34 39.48 1dsx n TYR 116 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1dsx n GLU 117 N -1.01 -7.01 0.10 -0.72 1.02 -0.78 -2.22 120.64 110.02 1dsx n GLU 117 Ca 0.22 0.81 -0.16 0.00 -0.02 0.00 0.00 57.16 58.02 1dsx n GLU 117 Cb 0.11 -5.76 -0.12 0.00 -0.02 0.00 0.00 31.44 25.64 1dsx n GLU 117 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1dsx h LEU 118 N -2.19 0.46 0.00 -4.62 3.38 -1.64 -3.39 115.31 107.30 1dsx h LEU 118 Ca -0.56 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 56.94 1dsx h LEU 118 Cb 1.34 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1dsx h LEU 118 CO 0.51 1.34 0.00 0.61 0.09 0.00 0.00 178.44 180.99