#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 2.10 -0.03 3.44 3.52 -1.26 -2.54 118.95 124.18 1dsx s ARG 34 Ca 0.00 -0.96 0.03 0.00 -0.13 0.00 0.00 55.73 54.67 1dsx s ARG 34 Cb 0.00 -2.19 -0.03 0.00 -1.56 0.00 0.00 34.95 31.17 1dsx s ARG 34 CO 0.00 0.55 -0.10 0.08 -0.81 0.00 0.00 175.30 175.02 1dsx s VAL 35 N -0.89 3.45 -0.22 7.11 1.01 0.01 -4.94 120.40 125.93 1dsx s VAL 35 Ca 0.14 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1dsx s VAL 35 Cb -0.10 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1dsx s VAL 35 CO 0.05 0.49 0.16 -0.69 0.00 0.00 0.00 175.10 175.11 1dsx s VAL 36 N -0.88 5.37 -0.23 2.92 1.01 -1.26 -1.50 120.40 125.83 1dsx s VAL 36 Ca 0.14 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1dsx s VAL 36 Cb -0.11 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1dsx s VAL 36 CO 0.04 0.38 -0.09 -0.63 0.00 0.00 0.00 175.10 174.80 1dsx s ILE 37 N 0.79 2.73 -0.41 2.22 1.01 0.09 -0.95 121.20 126.68 1dsx s ILE 37 Ca 0.08 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.66 1dsx s ILE 37 Cb -0.13 -2.34 0.08 0.00 0.01 0.00 0.00 42.46 40.08 1dsx s ILE 37 CO 0.02 0.28 0.24 0.21 0.00 0.00 0.00 174.94 175.69 1dsx s ASN 38 N 1.32 5.59 -0.62 3.58 3.84 0.38 -0.67 114.94 128.36 1dsx s ASN 38 Ca 0.01 -1.51 -0.17 0.00 0.21 0.00 0.00 52.86 51.40 1dsx s ASN 38 Cb -0.16 -1.97 0.13 0.00 -0.55 0.00 0.00 41.25 38.70 1dsx s ASN 38 CO -0.06 -0.52 0.65 -0.63 -2.79 0.00 0.00 177.10 173.75 1dsx s ILE 39 N 1.41 5.07 -1.61 -5.21 -1.09 -0.10 -0.92 121.20 118.74 1dsx s ILE 39 Ca 0.03 -1.40 -0.15 0.00 -2.23 0.00 0.00 60.65 56.90 1dsx s ILE 39 Cb -0.23 -4.44 0.12 0.00 -1.58 0.00 0.00 42.46 36.32 1dsx s ILE 39 CO 0.02 -1.04 0.82 -1.20 -1.23 0.00 0.00 174.94 172.31 1dsx n SER 40 N 5.63 -3.50 0.00 3.58 7.64 -0.38 -0.68 113.62 125.91 1dsx n SER 40 Ca -0.07 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1dsx n SER 40 Cb 0.42 -3.20 0.00 0.00 -1.01 0.00 0.00 64.21 60.42 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 -1.56 2.39 3.61 0.23 0.00 -1.26 -5.04 105.19 103.55 1dsx n GLY 41 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 4.04 -0.16 0.99 2.96 0.14 -5.06 118.68 121.59 1dsx s LEU 42 Ca 0.00 0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 54.07 1dsx s LEU 42 Cb 0.00 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1dsx s LEU 42 CO 0.00 -0.20 0.31 -0.13 -1.32 0.00 0.00 176.35 175.01 1dsx s ARG 43 N 2.10 4.27 -0.03 1.98 0.52 -1.26 -0.93 118.95 125.60 1dsx s ARG 43 Ca 0.16 0.13 0.05 0.00 -0.52 0.00 0.00 55.73 55.54 1dsx s ARG 43 Cb -0.16 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.86 1dsx s ARG 43 CO 0.10 0.22 -0.17 -0.06 0.02 0.00 0.00 175.30 175.42 1dsx s PHE 44 N 0.50 2.62 -0.13 -0.53 0.40 0.15 -4.98 117.98 116.02 1dsx s PHE 44 Ca 0.17 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.31 1dsx s PHE 44 Cb -0.13 -1.58 0.01 0.00 0.51 0.00 0.00 43.02 41.83 1dsx s PHE 44 CO 0.04 0.16 -0.18 -1.21 0.70 0.00 0.00 175.22 174.74 1dsx s GLU 45 N -0.83 2.56 -0.02 0.44 2.02 -1.26 -0.73 118.70 120.88 1dsx s GLU 45 Ca 0.12 -0.68 -0.05 0.00 0.02 0.00 0.00 54.97 54.38 1dsx s GLU 45 Cb -0.10 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1dsx s GLU 45 CO 0.01 -0.07 0.11 0.54 0.02 0.00 0.00 175.26 175.87 1dsx s VAL 46 N 0.98 0.04 0.32 2.63 0.11 -0.56 -4.97 120.40 118.95 1dsx s VAL 46 Ca -0.05 -0.31 -0.29 0.00 -2.93 0.00 0.00 61.98 58.40 1dsx s VAL 46 Cb -0.15 -0.26 -0.10 0.00 -1.53 0.00 0.00 36.38 34.34 1dsx s VAL 46 CO -0.03 -0.17 1.28 -1.10 -3.33 0.00 0.00 175.10 171.74 1dsx s GLN 47 N -0.54 4.39 0.38 1.54 -0.21 -1.26 -0.81 119.66 123.16 1dsx s GLN 47 Ca -0.06 2.15 0.09 0.00 0.02 0.00 0.00 55.36 57.56 1dsx s GLN 47 Cb -0.04 -3.08 0.77 0.00 1.00 0.00 0.00 33.01 31.66 1dsx s GLN 47 CO 0.00 -0.13 1.92 1.25 -2.12 0.00 0.00 175.29 176.21 1dsx h LEU 48 N 3.43 0.25 -0.89 2.90 7.12 -1.86 -2.57 115.31 123.70 1dsx h LEU 48 Ca -0.49 -0.05 0.01 0.00 0.13 0.00 0.00 57.88 57.48 1dsx h LEU 48 Cb 1.22 -0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 41.24 1dsx h LEU 48 CO 0.66 0.40 0.59 0.07 -0.13 0.00 0.00 178.44 180.02 1dsx h LYS 49 N 0.26 1.18 -0.84 1.25 2.10 -1.91 -0.91 116.57 117.70 1dsx h LYS 49 Ca 0.05 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 1dsx h LYS 49 Cb 0.36 -0.27 -0.04 0.00 -0.90 0.00 0.00 32.23 31.38 1dsx h LYS 49 CO 0.02 0.78 0.49 1.15 -2.00 0.00 0.00 179.45 179.90 1dsx h THR 50 N 1.21 1.24 -0.38 0.07 2.02 -1.85 -2.33 112.91 112.89 1dsx h THR 50 Ca 0.33 -0.53 -0.14 0.00 0.77 0.00 0.00 66.41 66.83 1dsx h THR 50 Cb -0.14 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 1dsx h THR 50 CO -0.07 0.25 -0.34 -0.07 0.37 0.00 0.00 175.52 175.67 1dsx h LEU 51 N 1.15 0.92 -2.82 2.58 3.38 -1.31 -3.10 115.31 116.11 1dsx h LEU 51 Ca 0.30 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1dsx h LEU 51 Cb -0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1dsx h LEU 51 CO -0.05 1.16 0.03 0.00 0.09 0.00 0.00 178.44 179.66 1dsx h ALA 52 N 0.89 1.14 -0.60 1.53 0.00 -0.65 -2.32 119.26 119.24 1dsx h ALA 52 Ca 0.07 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1dsx h ALA 52 Cb 0.90 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1dsx h ALA 52 CO 0.08 -0.03 0.41 1.96 0.00 0.00 0.00 179.25 181.67 1dsx h GLN 53 N 0.00 0.43 -3.37 0.00 4.20 -1.40 -3.31 115.11 111.65 1dsx h GLN 53 Ca 0.00 -0.03 -0.66 0.00 0.06 0.00 0.00 58.65 58.03 1dsx h GLN 53 Cb 0.05 -0.10 -0.39 0.00 0.30 0.00 0.00 27.48 27.35 1dsx h GLN 53 CO -0.00 0.28 -0.51 -0.06 -0.67 0.00 0.00 178.83 177.87 1dsx s PHE 54 N -5.41 3.35 -0.92 2.96 0.40 -0.87 -4.95 117.98 112.53 1dsx s PHE 54 Ca -0.08 -3.08 0.24 0.00 -0.60 0.00 0.00 56.93 53.42 1dsx s PHE 54 Cb 0.20 -2.93 0.99 0.00 0.51 0.00 0.00 43.02 41.78 1dsx s PHE 54 CO 0.75 -0.73 1.76 -0.35 0.70 0.00 0.00 175.22 177.35 1dsx n PRO 55 N 2.95 0.05 -0.09 0.24 -0.04 -1.25 -2.55 135.00 134.33 1dsx n PRO 55 Ca 0.09 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.80 1dsx n PRO 55 Cb 0.34 -1.57 0.33 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.67 1.97 -3.41 0.54 1.02 -1.26 -4.09 120.64 113.75 1dsx n GLU 56 Ca 0.05 -1.45 -0.19 0.00 -0.02 0.00 0.00 57.16 55.55 1dsx n GLU 56 Cb 0.30 -1.44 -0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 -1.77 3.99 0.09 2.62 -4.23 -1.06 -4.92 115.64 110.37 1dsx s THR 57 Ca 0.34 -0.97 -0.28 0.00 -1.18 0.00 0.00 61.69 59.61 1dsx s THR 57 Cb 0.19 -3.39 -0.13 0.00 1.34 0.00 0.00 72.50 70.52 1dsx s THR 57 CO 0.29 -0.16 1.66 0.25 -0.54 0.00 0.00 174.62 176.12 1dsx h LEU 58 N 0.84 -0.58 -1.09 4.79 6.46 -1.62 -2.29 115.31 121.82 1dsx h LEU 58 Ca -0.45 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.35 1dsx h LEU 58 Cb 1.26 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 1dsx h LEU 58 CO 0.52 -0.34 0.00 -0.07 -0.62 0.00 0.00 178.44 177.94 1dsx h LEU 59 N -0.51 0.00 -0.84 2.25 3.38 -1.90 -2.72 115.31 114.97 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 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1dsx h LEU 59 CO -0.02 0.00 -0.13 0.61 0.09 0.00 0.00 178.44 178.99 1dsx n GLY 60 N 0.27 -0.18 3.33 0.83 0.00 -1.09 -4.78 105.19 103.58 1dsx n GLY 60 Ca 0.01 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.23 4.57 0.29 1.61 -1.08 -0.88 -4.30 116.67 114.65 1dsx s ASP 61 Ca 0.30 -0.46 0.00 0.00 -0.52 0.00 0.00 52.55 51.88 1dsx s ASP 61 Cb 0.20 -1.79 0.51 0.00 -1.46 0.00 0.00 42.92 40.38 1dsx s ASP 61 CO 0.42 -0.06 1.88 -0.65 0.52 0.00 0.00 175.17 177.28 1dsx h PRO 62 N 8.14 1.03 -0.46 4.34 0.11 -1.87 -1.10 132.00 142.19 1dsx h PRO 62 Ca -0.39 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1dsx h PRO 62 Cb 1.15 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1dsx h PRO 62 CO 0.60 0.68 0.22 -0.22 -0.21 0.00 0.00 178.00 179.07 1dsx h LYS 63 N 1.06 0.66 -0.02 1.05 1.63 -1.94 -2.40 116.57 116.61 1dsx h LYS 63 Ca 0.44 -0.10 -0.03 0.00 -0.85 0.00 0.00 60.65 60.11 1dsx h LYS 63 Cb 0.30 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1dsx h LYS 63 CO -0.19 0.56 -0.12 0.87 -3.45 0.00 0.00 179.45 177.11 1dsx h LYS 64 N 0.60 0.12 0.00 1.90 1.57 -1.61 -3.28 116.57 115.88 1dsx h LYS 64 Ca 0.16 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1dsx h LYS 64 Cb 0.11 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1dsx h LYS 64 CO -0.02 0.77 -0.12 0.07 -0.57 0.00 0.00 179.45 179.58 1dsx h ARG 65 N -0.50 0.00 -0.06 3.15 0.11 -1.18 -2.34 114.38 113.56 1dsx h ARG 65 Ca -0.01 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.09 1dsx h ARG 65 Cb 0.80 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.88 1dsx h ARG 65 CO 0.03 0.12 0.05 1.98 0.10 0.00 0.00 179.97 182.25 1dsx h MET 66 N 0.00 0.00 0.00 0.08 4.05 -1.48 -1.20 114.93 116.37 1dsx h MET 66 Ca -0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1dsx h MET 66 Cb 0.42 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1dsx h MET 66 CO 0.02 0.00 -0.00 0.00 0.23 0.00 0.00 176.91 177.15 1dsx h ARG 67 N 0.00 0.00 -0.23 0.39 3.08 -1.55 -2.06 114.38 114.01 1dsx h ARG 67 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1dsx h ARG 67 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1dsx h ARG 67 CO -0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 1dsx n TYR 68 N -3.15 0.30 -2.77 3.04 4.02 -0.46 -5.03 117.16 113.10 1dsx n TYR 68 Ca -0.02 -0.32 -0.39 0.00 -0.01 0.00 0.00 57.90 57.16 1dsx n TYR 68 Cb 0.11 -0.02 -0.06 0.00 -0.02 0.00 0.00 39.34 39.36 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 -0.98 3.86 -0.33 -0.72 5.36 -0.78 -1.19 117.98 123.21 1dsx s PHE 69 Ca 0.20 1.85 0.02 0.00 -0.96 0.00 0.00 56.93 58.04 1dsx s PHE 69 Cb 0.11 -2.95 0.09 0.00 -0.34 0.00 0.00 43.02 39.93 1dsx s PHE 69 CO 0.15 0.36 0.02 0.34 -1.46 0.00 0.00 175.22 174.63 1dsx s ASP 70 N -1.37 4.76 0.44 6.13 2.15 0.58 -4.94 116.67 124.41 1dsx s ASP 70 Ca 0.45 -1.89 0.11 0.00 0.43 0.00 0.00 52.55 51.66 1dsx s ASP 70 Cb -0.23 -1.64 0.96 0.00 -0.30 0.00 0.00 42.92 41.72 1dsx s ASP 70 CO 0.28 -0.34 2.02 1.55 -0.17 0.00 0.00 175.17 178.51 1dsx h PRO 71 N 7.73 0.21 -0.22 4.34 0.13 -1.97 0.29 132.00 142.52 1dsx h PRO 71 Ca -0.10 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.97 1dsx h PRO 71 Cb 1.03 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1dsx h PRO 71 CO 0.53 0.24 0.02 -0.07 -0.23 0.00 0.00 178.00 178.49 1dsx h LEU 72 N 0.21 0.37 0.00 1.56 3.38 -1.95 -3.13 115.31 115.75 1dsx h LEU 72 Ca 0.05 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1dsx h LEU 72 Cb 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1dsx h LEU 72 CO 0.00 0.56 -0.73 0.03 0.09 0.00 0.00 178.44 178.39 1dsx h ARG 73 N 0.16 0.00 -5.58 1.13 3.08 -1.98 -3.48 114.38 107.71 1dsx h ARG 73 Ca 0.06 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.82 1dsx h ARG 73 Cb 0.36 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.59 1dsx h ARG 73 CO 0.01 0.00 -0.83 -1.71 -1.07 0.00 0.00 179.97 176.36 1dsx n ASN 74 N -2.18 -4.90 -3.66 7.04 4.05 0.10 -5.01 115.26 110.70 1dsx n ASN 74 Ca 0.03 -0.70 -0.10 0.00 0.45 0.00 0.00 54.58 54.25 1dsx n ASN 74 Cb 0.46 -5.05 -0.04 0.00 1.23 0.00 0.00 39.78 36.38 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 -4.84 1.28 0.00 1.20 -1.05 -1.10 -4.54 118.70 109.65 1dsx s GLU 75 Ca 0.30 -0.76 -0.07 0.00 -0.15 0.00 0.00 54.97 54.29 1dsx s GLU 75 Cb -0.04 0.52 -0.05 0.00 -0.44 0.00 0.00 34.13 34.12 1dsx s GLU 75 CO 0.75 -0.54 0.27 0.71 0.95 0.00 0.00 175.26 177.40 1dsx s TYR 76 N -3.83 3.59 -0.08 4.83 1.51 -0.12 -0.31 117.35 122.93 1dsx s TYR 76 Ca 0.06 0.60 0.01 0.00 -1.01 0.00 0.00 57.07 56.73 1dsx s TYR 76 Cb -0.00 -2.01 0.02 0.00 -0.11 0.00 0.00 41.96 39.86 1dsx s TYR 76 CO -0.07 0.62 -0.10 0.12 -1.11 0.00 0.00 175.55 175.01 1dsx s PHE 77 N -1.28 1.44 -0.10 2.71 5.36 -0.33 -0.47 117.98 125.31 1dsx s PHE 77 Ca 0.27 -0.60 0.03 0.00 -0.96 0.00 0.00 56.93 55.67 1dsx s PHE 77 Cb -0.13 -1.11 0.00 0.00 -0.34 0.00 0.00 43.02 41.44 1dsx s PHE 77 CO 0.15 -0.36 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.28 1dsx s PHE 78 N 1.05 2.35 -1.23 10.12 0.40 -0.10 -4.81 117.98 125.76 1dsx s PHE 78 Ca -0.07 -1.00 -0.05 0.00 -0.60 0.00 0.00 56.93 55.20 1dsx s PHE 78 Cb -0.15 -1.60 0.19 0.00 0.51 0.00 0.00 43.02 41.97 1dsx s PHE 78 CO -0.01 -0.43 2.07 -3.47 0.70 0.00 0.00 175.22 174.08 1dsx n ASP 79 N 3.70 7.09 -4.22 1.36 -0.08 -1.26 -1.25 116.55 121.90 1dsx n ASP 79 Ca -0.20 -3.27 -0.22 0.00 -1.51 0.00 0.00 54.79 49.59 1dsx n ASP 79 Cb 0.52 -1.34 -0.09 0.00 2.34 0.00 0.00 41.12 42.55 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 -1.63 1.72 0.00 -0.67 0.52 -1.26 -4.97 118.95 112.67 1dsx s ARG 80 Ca 0.45 -2.00 -0.36 0.00 -0.52 0.00 0.00 55.73 53.30 1dsx s ARG 80 Cb 0.15 -0.55 -0.15 0.00 0.52 0.00 0.00 34.95 34.93 1dsx s ARG 80 CO -0.06 -0.37 1.59 -1.71 0.02 0.00 0.00 175.30 174.78 1dsx n ASN 81 N -0.95 2.55 -0.02 0.23 2.85 -1.26 -4.41 115.26 114.24 1dsx n ASN 81 Ca -0.03 1.07 -0.16 0.00 -0.11 0.00 0.00 54.58 55.36 1dsx n ASN 81 Cb 0.66 -1.28 -0.13 0.00 1.24 0.00 0.00 39.78 40.27 1dsx n ASN 81 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1dsx h ARG 82 N 6.36 0.14 -0.58 1.20 3.08 -1.98 -3.35 114.38 119.24 1dsx h ARG 82 Ca -0.47 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 59.46 1dsx h ARG 82 Cb 1.30 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.38 1dsx h ARG 82 CO 0.88 1.02 0.39 -1.35 -1.07 0.00 0.00 179.97 179.83 1dsx h PRO 83 N -0.65 0.52 -0.01 0.04 0.11 -1.99 -1.92 132.00 128.11 1dsx h PRO 83 Ca -0.04 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 1dsx h PRO 83 Cb 1.14 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1dsx h PRO 83 CO 0.05 0.35 -0.20 0.77 -0.21 0.00 0.00 178.00 178.76 1dsx h SER 84 N 0.54 0.01 0.43 -2.05 0.02 -1.98 -3.27 113.55 107.25 1dsx h SER 84 Ca 0.25 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 1dsx h SER 84 Cb 0.31 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1dsx h SER 84 CO -0.07 0.22 -0.27 0.15 -1.14 0.00 0.00 176.83 175.72 1dsx h PHE 85 N 0.01 0.00 -0.93 3.45 3.57 -1.49 -2.22 116.94 119.34 1dsx h PHE 85 Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1dsx h PHE 85 Cb 0.36 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 1dsx h PHE 85 CO 0.00 0.27 0.61 -0.44 -2.23 0.00 0.00 178.31 176.51 1dsx h ASP 86 N 0.00 0.96 0.74 0.41 3.32 -1.73 0.35 116.42 120.48 1dsx h ASP 86 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1dsx h ASP 86 Cb 0.55 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1dsx h ASP 86 CO 0.03 0.63 -0.85 0.00 -1.72 0.00 0.00 179.24 177.34 1dsx h ALA 87 N 1.48 0.59 -0.33 3.45 0.00 -1.63 -0.79 119.26 122.04 1dsx h ALA 87 Ca 0.39 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1dsx h ALA 87 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1dsx h ALA 87 CO -0.14 0.99 0.12 0.82 0.00 0.00 0.00 179.25 181.04 1dsx h ILE 88 N 0.04 1.20 -0.36 0.00 1.08 -1.14 -2.05 117.51 116.28 1dsx h ILE 88 Ca -0.02 -0.62 -0.07 0.00 -0.39 0.00 0.00 64.86 63.76 1dsx h ILE 88 Cb 1.48 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 36.19 1dsx h ILE 88 CO 0.12 0.21 -0.08 0.25 -0.69 0.00 0.00 178.15 177.96 1dsx h LEU 89 N 0.39 0.58 -1.40 1.44 5.85 -0.82 -2.31 115.31 119.04 1dsx h LEU 89 Ca 0.11 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1dsx h LEU 89 Cb 0.22 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1dsx h LEU 89 CO -0.01 0.70 -0.20 0.22 -0.34 0.00 0.00 178.44 178.81 1dsx h TYR 90 N 0.56 0.15 -0.82 1.25 3.20 -0.87 -1.31 116.97 119.13 1dsx h TYR 90 Ca 0.11 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.03 1dsx h TYR 90 Cb 0.48 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.64 1dsx h TYR 90 CO 0.02 0.34 0.48 -0.92 -1.64 0.00 0.00 178.16 176.45 1dsx h TYR 91 N 0.13 0.89 -0.05 -3.82 3.20 -0.78 0.20 116.97 116.73 1dsx h TYR 91 Ca 0.02 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.74 1dsx h TYR 91 Cb 0.44 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 38.44 1dsx h TYR 91 CO 0.00 0.41 -0.69 1.88 -1.64 0.00 0.00 178.16 178.12 1dsx h TYR 92 N 0.85 0.80 -0.68 -3.82 -1.99 -1.41 0.52 116.97 111.25 1dsx h TYR 92 Ca 0.37 -0.40 -0.06 0.00 2.00 0.00 0.00 58.73 60.65 1dsx h TYR 92 Cb 0.26 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 38.85 1dsx h TYR 92 CO -0.05 1.21 0.18 1.96 -0.00 0.00 0.00 178.16 181.46 1dsx h GLN 93 N 0.16 1.07 -0.00 4.88 4.20 -0.79 -2.87 115.11 121.75 1dsx h GLN 93 Ca -0.07 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1dsx h GLN 93 Cb 1.36 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1dsx h GLN 93 CO 0.14 0.95 -0.01 -1.13 -0.67 0.00 0.00 178.83 178.11 1dsx n SER 94 N -4.29 0.08 -0.53 1.46 3.41 0.65 -4.90 113.62 109.50 1dsx n SER 94 Ca 0.05 -0.67 -0.03 0.00 -0.26 0.00 0.00 58.87 57.95 1dsx n SER 94 Cb 0.24 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 1.13 0.37 0.00 5.00 0.00 -1.09 -4.13 105.19 106.47 1dsx n GLY 95 Ca 0.20 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.93 1.10 3.68 -0.02 0.00 0.17 -5.05 105.19 104.13 1dsx n GLY 96 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.35 4.33 -0.41 1.61 0.52 -1.24 -4.99 118.95 118.42 1dsx s ARG 97 Ca 0.00 1.57 -0.08 0.00 -0.52 0.00 0.00 55.73 56.70 1dsx s ARG 97 Cb 0.00 -3.61 0.08 0.00 0.52 0.00 0.00 34.95 31.94 1dsx s ARG 97 CO 0.00 -0.50 0.23 -1.17 0.02 0.00 0.00 175.30 173.88 1dsx s LEU 98 N 2.60 5.05 -0.13 2.53 2.96 -1.26 -3.52 118.68 126.92 1dsx s LEU 98 Ca 0.52 -1.54 0.02 0.00 -0.22 0.00 0.00 54.13 52.91 1dsx s LEU 98 Cb -0.21 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.54 1dsx s LEU 98 CO 0.17 -0.51 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.37 1dsx s ARG 99 N 1.38 2.69 -0.10 1.98 1.81 -1.26 -5.11 118.95 120.34 1dsx s ARG 99 Ca 0.03 -0.73 -0.30 0.00 -1.72 0.00 0.00 55.73 53.01 1dsx s ARG 99 Cb -0.23 -2.24 -0.02 0.00 -0.45 0.00 0.00 34.95 32.02 1dsx s ARG 99 CO 0.01 -0.07 1.11 0.50 -0.68 0.00 0.00 175.30 176.17 1dsx s ARG 100 N 0.97 4.37 0.42 3.54 3.52 -1.26 -4.82 118.95 125.70 1dsx s ARG 100 Ca -0.05 1.52 -0.26 0.00 -0.13 0.00 0.00 55.73 56.82 1dsx s ARG 100 Cb -0.15 -3.57 -0.08 0.00 -1.56 0.00 0.00 34.95 29.59 1dsx s ARG 100 CO -0.04 -0.42 1.33 -2.14 -0.81 0.00 0.00 175.30 173.22 1dsx s PRO 101 N 2.29 3.87 0.47 5.12 0.02 -1.26 -4.90 135.00 140.60 1dsx s PRO 101 Ca 0.51 2.20 0.15 0.00 0.02 0.00 0.00 61.00 63.89 1dsx s PRO 101 Cb -0.21 -2.71 1.12 0.00 0.02 0.00 0.00 34.50 32.73 1dsx s PRO 101 CO 0.18 -0.59 2.03 0.28 -0.33 0.00 0.00 177.00 178.57 1dsx h VAL 102 N 2.38 0.92 -0.30 3.83 2.07 -2.02 -1.95 116.25 121.18 1dsx h VAL 102 Ca -0.50 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1dsx h VAL 102 Cb 1.25 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1dsx h VAL 102 CO 0.62 0.05 0.00 0.59 0.02 0.00 0.00 177.57 178.85 1dsx n ASN 103 N -4.47 1.65 -4.17 0.57 3.02 -1.26 -4.73 115.26 105.88 1dsx n ASN 103 Ca 0.06 -1.97 -0.34 0.00 -0.03 0.00 0.00 54.58 52.30 1dsx n ASN 103 Cb 0.31 -0.20 -0.15 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.60 2.64 0.60 2.41 1.01 -0.73 -5.07 120.40 119.66 1dsx s VAL 104 Ca 0.22 -1.09 -0.18 0.00 0.00 0.00 0.00 61.98 60.93 1dsx s VAL 104 Cb 0.11 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 1dsx s VAL 104 CO 0.15 0.22 0.81 -2.65 0.00 0.00 0.00 175.10 173.64 1dsx n PRO 105 N 4.63 0.73 -0.27 2.72 -0.02 -1.26 -4.71 135.00 136.82 1dsx n PRO 105 Ca -0.17 0.29 -0.05 0.00 -2.02 0.00 0.00 63.50 61.55 1dsx n PRO 105 Cb 0.47 -2.02 0.06 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.33 0.86 -0.54 2.45 5.85 -1.97 -0.78 115.31 121.52 1dsx h LEU 106 Ca -0.48 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.13 1dsx h LEU 106 Cb 1.38 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1dsx h LEU 106 CO 0.49 0.65 0.07 -2.24 -0.34 0.00 0.00 178.44 177.07 1dsx h ASP 107 N 1.00 0.88 -0.15 1.25 2.03 -1.99 -0.38 116.42 119.05 1dsx h ASP 107 Ca 0.27 -0.27 -0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1dsx h ASP 107 Cb -0.07 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.19 1dsx h ASP 107 CO -0.05 0.93 0.09 0.40 -1.03 0.00 0.00 179.24 179.57 1dsx h ILE 108 N 0.80 1.08 -0.52 4.15 2.04 -1.88 -2.29 117.51 120.88 1dsx h ILE 108 Ca 0.16 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1dsx h ILE 108 Cb 0.44 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1dsx h ILE 108 CO 0.01 0.07 0.21 0.15 0.00 0.00 0.00 178.15 178.60 1dsx h PHE 109 N 0.16 0.79 -0.90 1.37 3.57 -0.96 -2.00 116.94 118.97 1dsx h PHE 109 Ca 0.05 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1dsx h PHE 109 Cb 0.04 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.49 1dsx h PHE 109 CO -0.05 0.65 0.59 0.77 -2.23 0.00 0.00 178.31 178.04 1dsx h SER 110 N 0.70 0.96 -0.72 0.41 0.02 -1.01 0.76 113.55 114.67 1dsx h SER 110 Ca 0.17 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1dsx h SER 110 Cb 0.19 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1dsx h SER 110 CO -0.01 0.65 0.22 -0.08 -1.14 0.00 0.00 176.83 176.47 1dsx h GLU 111 N 1.11 1.13 -0.51 3.45 4.57 -1.13 -1.89 114.58 121.32 1dsx h GLU 111 Ca 0.36 -0.24 -0.13 0.00 -1.18 0.00 0.00 59.36 58.18 1dsx h GLU 111 Cb 0.06 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1dsx h GLU 111 CO -0.12 0.96 -0.18 0.93 -1.18 0.00 0.00 179.01 179.42 1dsx h GLU 112 N 1.08 1.02 -0.90 1.92 4.39 -0.48 -0.81 114.58 120.81 1dsx h GLU 112 Ca 0.23 -0.42 0.08 0.00 0.34 0.00 0.00 59.36 59.60 1dsx h GLU 112 Cb 0.31 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.85 1dsx h GLU 112 CO -0.01 1.10 0.55 0.82 -1.16 0.00 0.00 179.01 180.32 1dsx h ILE 113 N 0.88 0.99 -0.14 3.13 2.04 -0.69 -0.26 117.51 123.45 1dsx h ILE 113 Ca 0.12 -0.33 -0.21 0.00 1.00 0.00 0.00 64.86 65.45 1dsx h ILE 113 Cb 0.76 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1dsx h ILE 113 CO 0.06 0.17 -0.73 0.03 0.00 0.00 0.00 178.15 177.68 1dsx h ARG 114 N 0.95 0.67 -0.40 2.37 3.08 -1.03 -1.14 114.38 118.88 1dsx h ARG 114 Ca 0.41 -0.53 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1dsx h ARG 114 Cb 0.28 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1dsx h ARG 114 CO -0.21 1.14 0.15 0.35 -1.07 0.00 0.00 179.97 180.33 1dsx h PHE 115 N 0.46 0.61 -0.00 3.04 3.57 -0.49 -2.29 116.94 121.84 1dsx h PHE 115 Ca -0.04 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1dsx h PHE 115 Cb 1.34 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1dsx h PHE 115 CO 0.07 0.55 -0.02 0.66 -2.23 0.00 0.00 178.31 177.34 1dsx n TYR 116 N -4.64 0.00 -3.30 0.41 4.02 -0.17 -4.82 117.16 108.66 1dsx n TYR 116 Ca -0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.71 1dsx n TYR 116 Cb 0.15 -0.11 0.07 0.00 -0.02 0.00 0.00 39.34 39.43 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 -0.97 -6.08 0.16 -0.72 1.02 -0.51 -1.96 120.64 111.58 1dsx n GLU 117 Ca 0.19 0.68 0.10 0.00 -0.02 0.00 0.00 57.16 58.12 1dsx n GLU 117 Cb 0.19 -5.26 0.08 0.00 -0.02 0.00 0.00 31.44 26.43 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 -1.95 0.00 0.00 -4.62 3.38 -1.63 -3.38 115.31 107.12 1dsx h LEU 118 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1dsx h LEU 118 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1dsx h LEU 118 CO 0.44 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.68