#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 1.31 0.32 3.49 0.52 -1.26 -1.49 118.95 121.83 1dsx s ARG 34 Ca 0.00 -1.37 0.07 0.00 -0.52 0.00 0.00 55.73 53.91 1dsx s ARG 34 Cb 0.00 -1.52 -0.06 0.00 0.52 0.00 0.00 34.95 33.89 1dsx s ARG 34 CO 0.00 0.33 -0.05 0.14 0.02 0.00 0.00 175.30 175.74 1dsx s VAL 35 N -1.65 1.82 -0.19 3.52 -7.23 -0.29 -4.87 120.40 111.52 1dsx s VAL 35 Ca 0.15 -2.13 -0.06 0.00 -1.81 0.00 0.00 61.98 58.13 1dsx s VAL 35 Cb -0.08 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1dsx s VAL 35 CO 0.07 -0.22 0.03 -0.69 -0.31 0.00 0.00 175.10 173.98 1dsx s VAL 36 N -2.88 4.34 -0.23 1.32 1.01 -1.26 -2.06 120.40 120.64 1dsx s VAL 36 Ca 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1dsx s VAL 36 Cb 0.04 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1dsx s VAL 36 CO 0.14 0.45 -0.07 -0.63 0.00 0.00 0.00 175.10 174.99 1dsx s ILE 37 N 0.64 2.96 -0.41 2.22 1.01 0.09 -1.01 121.20 126.70 1dsx s ILE 37 Ca 0.01 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.77 1dsx s ILE 37 Cb -0.14 -2.40 0.06 0.00 0.01 0.00 0.00 42.46 40.00 1dsx s ILE 37 CO 0.02 0.34 0.26 0.21 0.00 0.00 0.00 174.94 175.77 1dsx s ASN 38 N 1.39 5.71 -0.66 3.58 3.84 0.12 -0.18 114.94 128.74 1dsx s ASN 38 Ca 0.03 -1.35 -0.18 0.00 0.21 0.00 0.00 52.86 51.57 1dsx s ASN 38 Cb -0.15 -2.02 0.12 0.00 -0.55 0.00 0.00 41.25 38.66 1dsx s ASN 38 CO -0.05 -0.51 0.75 -0.63 -2.79 0.00 0.00 177.10 173.87 1dsx s ILE 39 N 1.48 4.93 -1.59 -5.21 -1.09 0.02 -1.03 121.20 118.72 1dsx s ILE 39 Ca 0.03 -1.28 -0.15 0.00 -2.23 0.00 0.00 60.65 57.02 1dsx s ILE 39 Cb -0.22 -4.51 0.11 0.00 -1.58 0.00 0.00 42.46 36.25 1dsx s ILE 39 CO 0.04 -1.15 0.93 -1.20 -1.23 0.00 0.00 174.94 172.33 1dsx n SER 40 N 6.00 -4.36 0.00 3.58 7.64 -0.33 -1.02 113.62 125.12 1dsx n SER 40 Ca -0.03 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.00 1dsx n SER 40 Cb 0.44 -3.55 0.00 0.00 -1.01 0.00 0.00 64.21 60.08 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 -1.61 1.49 3.52 0.23 0.00 -1.26 -5.04 105.19 102.53 1dsx n GLY 41 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 4.48 -0.21 0.99 2.96 -0.19 -5.04 118.68 121.68 1dsx s LEU 42 Ca 0.00 -0.29 -0.17 0.00 -0.22 0.00 0.00 54.13 53.44 1dsx s LEU 42 Cb 0.00 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 1dsx s LEU 42 CO 0.00 -0.74 0.47 -0.13 -1.32 0.00 0.00 176.35 174.63 1dsx s ARG 43 N 2.77 4.17 0.05 1.98 0.52 -1.26 -0.80 118.95 126.38 1dsx s ARG 43 Ca 0.22 0.32 0.04 0.00 -0.52 0.00 0.00 55.73 55.79 1dsx s ARG 43 Cb -0.14 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.73 1dsx s ARG 43 CO 0.18 -0.13 -0.02 -0.06 0.02 0.00 0.00 175.30 175.29 1dsx s PHE 44 N 1.59 2.97 -0.15 -0.53 0.40 0.75 -4.98 117.98 118.03 1dsx s PHE 44 Ca 0.22 -0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 1dsx s PHE 44 Cb -0.15 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 41.82 1dsx s PHE 44 CO 0.09 0.44 -0.13 -1.21 0.70 0.00 0.00 175.22 175.12 1dsx s GLU 45 N -1.88 2.16 0.03 0.44 2.02 -1.26 -0.73 118.70 119.48 1dsx s GLU 45 Ca 0.22 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.67 1dsx s GLU 45 Cb -0.11 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 1dsx s GLU 45 CO 0.13 -0.26 -0.05 0.54 0.02 0.00 0.00 175.26 175.64 1dsx s VAL 46 N 1.51 0.30 0.35 2.63 0.11 -0.87 -4.99 120.40 119.44 1dsx s VAL 46 Ca 0.04 -0.89 -0.27 0.00 -2.93 0.00 0.00 61.98 57.93 1dsx s VAL 46 Cb -0.13 -0.40 -0.09 0.00 -1.53 0.00 0.00 36.38 34.23 1dsx s VAL 46 CO -0.10 -0.38 1.20 -1.10 -3.33 0.00 0.00 175.10 171.38 1dsx s GLN 47 N -1.35 4.31 0.24 1.54 -0.21 -1.26 -1.14 119.66 121.80 1dsx s GLN 47 Ca -0.11 1.96 -0.05 0.00 0.02 0.00 0.00 55.36 57.18 1dsx s GLN 47 Cb -0.09 -2.94 0.37 0.00 1.00 0.00 0.00 33.01 31.34 1dsx s GLN 47 CO -0.00 -0.14 1.84 -0.07 -2.12 0.00 0.00 175.29 174.80 1dsx h LEU 48 N 3.19 0.80 -1.36 2.90 3.38 -1.60 -0.94 115.31 121.69 1dsx h LEU 48 Ca -0.48 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.55 1dsx h LEU 48 Cb 1.23 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1dsx h LEU 48 CO 0.65 0.49 0.46 0.11 0.09 0.00 0.00 178.44 180.24 1dsx h LYS 49 N 0.92 0.80 -0.41 1.13 1.57 -1.92 -0.76 116.57 117.90 1dsx h LYS 49 Ca 0.39 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1dsx h LYS 49 Cb 0.25 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1dsx h LYS 49 CO -0.20 0.53 0.25 1.15 -0.57 0.00 0.00 179.45 180.61 1dsx h THR 50 N 0.83 1.12 -0.26 -0.16 2.02 -1.56 -2.71 112.91 112.19 1dsx h THR 50 Ca 0.28 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 67.09 1dsx h THR 50 Cb 0.09 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1dsx h THR 50 CO -0.08 0.12 -0.29 -0.07 0.37 0.00 0.00 175.52 175.57 1dsx h LEU 51 N 0.54 0.52 -1.72 2.58 3.38 -1.11 -3.13 115.31 116.37 1dsx h LEU 51 Ca 0.15 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1dsx h LEU 51 Cb -0.02 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1dsx h LEU 51 CO -0.03 0.79 0.00 0.00 0.09 0.00 0.00 178.44 179.29 1dsx h ALA 52 N 1.25 1.00 -0.72 1.53 0.00 -0.84 -2.86 119.26 118.62 1dsx h ALA 52 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1dsx h ALA 52 Cb 0.73 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1dsx h ALA 52 CO 0.06 0.00 0.47 1.96 0.00 0.00 0.00 179.25 181.74 1dsx h GLN 53 N 0.00 0.70 -3.22 0.00 4.20 -1.48 -3.30 115.11 112.01 1dsx h GLN 53 Ca 0.00 -0.04 -0.63 0.00 0.06 0.00 0.00 58.65 58.03 1dsx h GLN 53 Cb 0.16 -0.16 -0.41 0.00 0.30 0.00 0.00 27.48 27.37 1dsx h GLN 53 CO 0.00 0.47 -0.56 -0.06 -0.67 0.00 0.00 178.83 178.00 1dsx s PHE 54 N -5.65 3.44 -0.75 2.96 0.40 -1.08 -4.95 117.98 112.35 1dsx s PHE 54 Ca -0.10 -3.25 0.22 0.00 -0.60 0.00 0.00 56.93 53.20 1dsx s PHE 54 Cb 0.19 -2.79 0.87 0.00 0.51 0.00 0.00 43.02 41.81 1dsx s PHE 54 CO 0.77 -0.64 1.67 -0.35 0.70 0.00 0.00 175.22 177.38 1dsx n PRO 55 N 2.45 0.12 0.00 0.24 -0.04 -1.25 -2.50 135.00 134.02 1dsx n PRO 55 Ca 0.14 0.28 0.14 0.00 -0.04 0.00 0.00 63.50 64.02 1dsx n PRO 55 Cb 0.34 -1.70 0.51 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.92 1.26 -2.61 0.54 1.02 -1.26 -3.92 120.64 113.75 1dsx n GLU 56 Ca 0.04 -0.68 -0.22 0.00 -0.02 0.00 0.00 57.16 56.27 1dsx n GLU 56 Cb 0.26 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.21 2.50 0.07 2.62 -4.23 -1.04 -4.94 115.64 108.40 1dsx s THR 57 Ca 0.33 -0.63 -0.29 0.00 -1.18 0.00 0.00 61.69 59.92 1dsx s THR 57 Cb 0.20 -2.87 -0.17 0.00 1.34 0.00 0.00 72.50 71.00 1dsx s THR 57 CO 0.41 0.00 1.61 0.25 -0.54 0.00 0.00 174.62 176.36 1dsx h LEU 58 N -0.11 -0.46 -0.68 4.79 6.46 -1.62 -2.42 115.31 121.27 1dsx h LEU 58 Ca -0.40 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 1dsx h LEU 58 Cb 1.29 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.34 1dsx h LEU 58 CO 0.49 -0.30 0.00 -0.07 -0.62 0.00 0.00 178.44 177.95 1dsx h LEU 59 N -0.59 0.00 0.00 2.25 3.38 -1.90 -2.94 115.31 115.50 1dsx h LEU 59 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 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 0.09 0.00 -0.49 0.61 0.09 0.00 0.00 178.44 178.75 1dsx n GLY 60 N 0.48 -1.45 3.27 0.83 0.00 -1.11 -4.72 105.19 102.49 1dsx n GLY 60 Ca 0.03 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.10 4.99 0.35 1.61 -1.08 -0.93 -4.40 116.67 113.11 1dsx s ASP 61 Ca 0.08 -0.94 0.14 0.00 -0.52 0.00 0.00 52.55 51.30 1dsx s ASP 61 Cb 0.14 -1.81 1.01 0.00 -1.46 0.00 0.00 42.92 40.80 1dsx s ASP 61 CO 0.69 -0.23 1.72 -0.65 0.52 0.00 0.00 175.17 177.22 1dsx h PRO 62 N 8.15 0.45 -0.20 4.34 0.11 -1.84 -0.41 132.00 142.60 1dsx h PRO 62 Ca -0.28 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 1dsx h PRO 62 Cb 1.10 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1dsx h PRO 62 CO 0.59 0.30 -0.29 0.87 -0.21 0.00 0.00 178.00 179.25 1dsx h LYS 63 N 0.46 0.40 0.09 1.05 1.57 -1.94 -0.97 116.57 117.23 1dsx h LYS 63 Ca 0.66 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 59.17 1dsx h LYS 63 Cb 1.45 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.76 1dsx h LYS 63 CO -0.45 0.66 -0.51 0.87 -0.57 0.00 0.00 179.45 179.44 1dsx h LYS 64 N 0.35 0.18 0.00 3.15 1.57 -1.48 -3.34 116.57 117.01 1dsx h LYS 64 Ca 0.05 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1dsx h LYS 64 Cb 0.70 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1dsx h LYS 64 CO 0.05 1.15 -0.18 0.07 -0.57 0.00 0.00 179.45 179.97 1dsx h ARG 65 N -0.61 0.00 0.00 3.15 0.11 -1.03 -2.56 114.38 113.44 1dsx h ARG 65 Ca -0.09 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.99 1dsx h ARG 65 Cb 1.40 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.48 1dsx h ARG 65 CO 0.09 0.18 -0.01 1.98 0.10 0.00 0.00 179.97 182.32 1dsx h MET 66 N 0.00 0.00 0.00 0.08 4.05 -1.28 -0.82 114.93 116.96 1dsx h MET 66 Ca -0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1dsx h MET 66 Cb 0.60 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.40 1dsx h MET 66 CO 0.02 0.01 -0.03 0.00 0.23 0.00 0.00 176.91 177.14 1dsx h ARG 67 N 0.00 0.00 -0.53 0.39 3.08 -1.62 -2.19 114.38 113.51 1dsx h ARG 67 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dsx h ARG 67 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1dsx h ARG 67 CO 0.00 0.03 0.00 0.66 -1.07 0.00 0.00 179.97 179.59 1dsx n TYR 68 N -3.15 0.83 -2.83 3.04 4.02 -0.32 -4.99 117.16 113.77 1dsx n TYR 68 Ca -0.00 -0.54 -0.41 0.00 -0.01 0.00 0.00 57.90 56.94 1dsx n TYR 68 Cb 0.28 -0.07 -0.04 0.00 -0.02 0.00 0.00 39.34 39.48 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 -1.24 3.76 -0.47 -0.72 5.36 -0.83 -0.49 117.98 123.34 1dsx s PHE 69 Ca 0.38 1.65 -0.11 0.00 -0.96 0.00 0.00 56.93 57.88 1dsx s PHE 69 Cb 0.21 -2.97 0.10 0.00 -0.34 0.00 0.00 43.02 40.02 1dsx s PHE 69 CO 0.23 0.20 0.36 0.34 -1.46 0.00 0.00 175.22 174.88 1dsx s ASP 70 N 0.15 5.85 0.53 6.13 -1.08 0.50 -4.92 116.67 123.82 1dsx s ASP 70 Ca 0.44 -1.68 0.29 0.00 -0.52 0.00 0.00 52.55 51.08 1dsx s ASP 70 Cb -0.22 -2.07 1.48 0.00 -1.46 0.00 0.00 42.92 40.65 1dsx s ASP 70 CO 0.27 -0.67 2.07 1.55 0.52 0.00 0.00 175.17 178.91 1dsx h PRO 71 N 8.57 0.00 0.00 4.34 0.13 -1.95 0.29 132.00 143.38 1dsx h PRO 71 Ca -0.24 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.80 1dsx h PRO 71 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1dsx h PRO 71 CO 0.87 0.11 -0.40 -0.07 -0.23 0.00 0.00 178.00 178.28 1dsx h LEU 72 N 0.00 0.00 -1.03 1.56 3.38 -1.95 -3.30 115.31 113.97 1dsx h LEU 72 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dsx h LEU 72 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1dsx h LEU 72 CO 0.01 0.40 -0.00 0.54 0.09 0.00 0.00 178.44 179.48 1dsx n ARG 73 N -3.32 -0.43 -3.60 1.13 1.74 -0.99 -5.03 116.66 106.16 1dsx n ARG 73 Ca 0.01 -0.58 -0.28 0.00 -0.77 0.00 0.00 57.85 56.22 1dsx n ARG 73 Cb 0.62 -1.02 0.05 0.00 -1.02 0.00 0.00 32.46 31.09 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 0.06 -5.51 -3.63 0.55 4.05 0.06 -4.99 115.26 105.85 1dsx n ASN 74 Ca 0.01 -0.96 -0.08 0.00 0.45 0.00 0.00 54.58 54.00 1dsx n ASN 74 Cb 0.05 -3.72 -0.02 0.00 1.23 0.00 0.00 39.78 37.32 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 -5.69 1.28 -0.20 1.20 -1.05 -1.19 -4.64 118.70 108.42 1dsx s GLU 75 Ca 0.47 -0.61 -0.10 0.00 -0.15 0.00 0.00 54.97 54.57 1dsx s GLU 75 Cb -0.15 0.50 -0.05 0.00 -0.44 0.00 0.00 34.13 34.00 1dsx s GLU 75 CO 0.84 -0.58 0.15 0.71 0.95 0.00 0.00 175.26 177.33 1dsx s TYR 76 N -3.54 3.40 -0.14 4.83 1.51 -0.18 -0.37 117.35 122.87 1dsx s TYR 76 Ca 0.07 0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 56.47 1dsx s TYR 76 Cb -0.02 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 1dsx s TYR 76 CO -0.03 0.26 -0.12 0.12 -1.11 0.00 0.00 175.55 174.66 1dsx s PHE 77 N 0.46 2.84 -0.09 2.71 5.36 0.35 0.14 117.98 129.76 1dsx s PHE 77 Ca 0.09 -0.63 0.03 0.00 -0.96 0.00 0.00 56.93 55.46 1dsx s PHE 77 Cb -0.12 -1.87 0.01 0.00 -0.34 0.00 0.00 43.02 40.71 1dsx s PHE 77 CO -0.01 -0.21 -0.18 -0.06 -1.46 0.00 0.00 175.22 173.30 1dsx s PHE 78 N 0.40 2.05 -0.60 10.12 0.40 -0.20 -4.82 117.98 125.33 1dsx s PHE 78 Ca -0.10 -0.83 -0.05 0.00 -0.60 0.00 0.00 56.93 55.36 1dsx s PHE 78 Cb -0.16 -1.42 0.03 0.00 0.51 0.00 0.00 43.02 41.99 1dsx s PHE 78 CO 0.05 -0.37 2.80 -3.47 0.70 0.00 0.00 175.22 174.93 1dsx n ASP 79 N 3.71 6.70 -4.12 1.36 2.03 -1.26 -1.19 116.55 123.78 1dsx n ASP 79 Ca -0.21 -3.10 -0.27 0.00 0.52 0.00 0.00 54.79 51.74 1dsx n ASP 79 Cb 0.52 -1.29 -0.06 0.00 -0.72 0.00 0.00 41.12 39.57 1dsx n ASP 79 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1dsx n ARG 80 N 1.29 0.74 -1.68 -0.67 1.74 -1.26 -4.93 116.66 111.88 1dsx n ARG 80 Ca 0.52 -3.34 -0.43 0.00 -0.77 0.00 0.00 57.85 53.83 1dsx n ARG 80 Cb 0.52 1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 33.25 1dsx n ARG 80 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1dsx n ASN 81 N -1.42 4.01 -0.03 0.55 2.85 -1.26 -4.33 115.26 115.63 1dsx n ASN 81 Ca -0.13 0.97 -0.14 0.00 -0.11 0.00 0.00 54.58 55.17 1dsx n ASN 81 Cb 0.58 -1.53 -0.11 0.00 1.24 0.00 0.00 39.78 39.97 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 8.96 0.15 0.00 1.20 3.08 -1.96 -3.25 114.38 122.55 1dsx h ARG 82 Ca -0.47 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.44 1dsx h ARG 82 Cb 1.23 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 1dsx h ARG 82 CO 0.94 0.81 -0.04 -1.00 -1.07 0.00 0.00 179.97 179.61 1dsx h PRO 83 N -0.47 0.00 0.00 0.04 0.13 -1.98 -2.03 132.00 127.69 1dsx h PRO 83 Ca -0.01 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.02 1dsx h PRO 83 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1dsx h PRO 83 CO 0.03 0.04 -0.45 0.77 -0.23 0.00 0.00 178.00 178.16 1dsx h SER 84 N 0.00 0.00 0.63 1.44 0.02 -1.98 -3.32 113.55 110.34 1dsx h SER 84 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1dsx h SER 84 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1dsx h SER 84 CO 0.01 0.45 -0.48 0.15 -1.14 0.00 0.00 176.83 175.81 1dsx h PHE 85 N 0.00 0.00 -0.83 3.45 3.57 -1.46 -2.59 116.94 119.08 1dsx h PHE 85 Ca -0.00 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 1dsx h PHE 85 Cb 0.91 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.56 1dsx h PHE 85 CO 0.00 0.48 0.42 -0.44 -2.23 0.00 0.00 178.31 176.54 1dsx h ASP 86 N 0.00 0.50 0.03 0.41 3.32 -1.73 0.58 116.42 119.53 1dsx h ASP 86 Ca -0.00 0.09 -0.24 0.00 0.02 0.00 0.00 57.03 56.89 1dsx h ASP 86 Cb 0.93 0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.50 1dsx h ASP 86 CO 0.06 0.22 -0.93 0.00 -1.72 0.00 0.00 179.24 176.88 1dsx h ALA 87 N 1.54 0.25 -0.04 3.45 0.00 -1.71 -1.10 119.26 121.66 1dsx h ALA 87 Ca 0.45 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1dsx h ALA 87 Cb 0.62 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1dsx h ALA 87 CO -0.35 0.71 0.00 0.82 0.00 0.00 0.00 179.25 180.43 1dsx h ILE 88 N 0.41 0.97 -0.62 0.00 1.08 -1.07 -2.05 117.51 116.23 1dsx h ILE 88 Ca -0.09 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1dsx h ILE 88 Cb 1.56 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 36.24 1dsx h ILE 88 CO 0.18 0.00 0.41 0.25 -0.69 0.00 0.00 178.15 178.30 1dsx h LEU 89 N 0.02 0.73 -1.68 1.44 5.85 -0.89 -2.60 115.31 118.18 1dsx h LEU 89 Ca 0.02 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1dsx h LEU 89 Cb 0.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1dsx h LEU 89 CO -0.03 0.54 0.28 0.22 -0.34 0.00 0.00 178.44 179.10 1dsx h TYR 90 N 0.85 0.40 -0.81 1.25 3.20 -1.06 -0.91 116.97 119.89 1dsx h TYR 90 Ca 0.23 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.18 1dsx h TYR 90 Cb -0.08 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 37.99 1dsx h TYR 90 CO -0.03 0.23 0.47 -0.92 -1.64 0.00 0.00 178.16 176.28 1dsx h TYR 91 N 0.41 0.87 -0.08 -3.82 3.20 -0.96 0.82 116.97 117.41 1dsx h TYR 91 Ca 0.17 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1dsx h TYR 91 Cb 0.18 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1dsx h TYR 91 CO -0.00 0.40 -0.13 1.88 -1.64 0.00 0.00 178.16 178.67 1dsx h TYR 92 N 0.84 0.28 -0.89 -3.82 -1.99 -1.24 0.24 116.97 110.38 1dsx h TYR 92 Ca 0.37 -0.10 0.02 0.00 2.00 0.00 0.00 58.73 61.02 1dsx h TYR 92 Cb 0.26 -0.05 -0.05 0.00 2.00 0.00 0.00 36.73 38.89 1dsx h TYR 92 CO -0.05 0.73 0.59 1.96 -0.00 0.00 0.00 178.16 181.38 1dsx h GLN 93 N -0.24 1.15 -0.00 4.88 4.20 -0.87 -1.91 115.11 122.32 1dsx h GLN 93 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1dsx h GLN 93 Cb 0.70 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1dsx h GLN 93 CO 0.03 0.76 -0.12 -1.13 -0.67 0.00 0.00 178.83 177.70 1dsx n SER 94 N -4.41 0.33 -0.20 1.46 3.41 0.24 -4.92 113.62 109.53 1dsx n SER 94 Ca 0.11 -0.32 -0.02 0.00 -0.26 0.00 0.00 58.87 58.38 1dsx n SER 94 Cb 0.04 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 63.86 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 1.33 0.34 0.00 5.00 0.00 -0.72 -4.40 105.19 106.75 1dsx n GLY 95 Ca 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.37 0.97 3.58 -0.02 0.00 0.07 -5.04 105.19 103.37 1dsx n GLY 96 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1dsx n GLY 96 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dsx s ARG 97 N 0.00 3.75 -0.30 1.61 3.52 -1.25 -5.01 118.95 121.28 1dsx s ARG 97 Ca 0.00 0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 55.73 1dsx s ARG 97 Cb 0.00 -3.79 0.02 0.00 -1.56 0.00 0.00 34.95 29.62 1dsx s ARG 97 CO 0.00 -0.73 0.07 -1.17 -0.81 0.00 0.00 175.30 172.66 1dsx s LEU 98 N 2.79 3.89 -0.02 -0.88 2.96 -1.26 -3.46 118.68 122.70 1dsx s LEU 98 Ca 0.27 -0.85 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1dsx s LEU 98 Cb -0.14 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 1dsx s LEU 98 CO 0.14 -0.22 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.72 1dsx s ARG 99 N 1.45 0.98 -0.08 1.98 1.81 -1.26 -5.12 118.95 118.72 1dsx s ARG 99 Ca 0.01 -0.36 -0.25 0.00 -1.72 0.00 0.00 55.73 53.41 1dsx s ARG 99 Cb -0.18 -0.93 -0.03 0.00 -0.45 0.00 0.00 34.95 33.37 1dsx s ARG 99 CO 0.02 0.17 0.80 0.50 -0.68 0.00 0.00 175.30 176.10 1dsx s ARG 100 N 0.00 4.43 0.32 3.54 3.52 -1.26 -4.77 118.95 124.74 1dsx s ARG 100 Ca -0.00 1.04 -0.29 0.00 -0.13 0.00 0.00 55.73 56.34 1dsx s ARG 100 Cb -0.07 -3.48 -0.11 0.00 -1.56 0.00 0.00 34.95 29.73 1dsx s ARG 100 CO 0.00 -0.06 1.54 -2.14 -0.81 0.00 0.00 175.30 173.83 1dsx s PRO 101 N 1.19 4.13 0.30 5.12 0.02 -1.26 -4.89 135.00 139.61 1dsx s PRO 101 Ca 0.41 2.55 0.06 0.00 0.02 0.00 0.00 61.00 64.04 1dsx s PRO 101 Cb -0.18 -3.01 0.75 0.00 0.02 0.00 0.00 34.50 32.08 1dsx s PRO 101 CO 0.19 -0.58 1.76 0.28 -0.33 0.00 0.00 177.00 178.32 1dsx h VAL 102 N 3.25 0.66 -0.00 3.83 2.07 -1.99 -1.72 116.25 122.35 1dsx h VAL 102 Ca -0.48 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1dsx h VAL 102 Cb 1.23 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1dsx h VAL 102 CO 0.74 0.13 0.00 0.59 0.02 0.00 0.00 177.57 179.04 1dsx n ASN 103 N -4.82 0.02 -4.19 0.57 3.02 -1.26 -4.67 115.26 103.92 1dsx n ASN 103 Ca 0.23 -1.31 -0.34 0.00 -0.03 0.00 0.00 54.58 53.13 1dsx n ASN 103 Cb 0.60 -0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.62 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 -2.00 2.58 0.61 2.41 1.01 -0.65 -5.08 120.40 119.28 1dsx s VAL 104 Ca 0.33 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1dsx s VAL 104 Cb 0.15 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1dsx s VAL 104 CO 0.26 0.48 1.10 -2.65 0.00 0.00 0.00 175.10 174.29 1dsx n PRO 105 N 4.69 1.02 -0.34 2.72 -0.02 -1.26 -4.70 135.00 137.11 1dsx n PRO 105 Ca -0.20 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 61.73 1dsx n PRO 105 Cb 0.50 -2.32 0.21 0.00 -0.02 0.00 0.00 33.50 31.87 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 0.56 0.84 -0.70 2.45 5.85 -1.96 -0.98 115.31 121.38 1dsx h LEU 106 Ca -0.49 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.15 1dsx h LEU 106 Cb 1.35 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1dsx h LEU 106 CO 0.52 0.47 -0.33 -2.24 -0.34 0.00 0.00 178.44 176.52 1dsx h ASP 107 N 0.94 0.65 -0.25 1.25 2.03 -1.99 0.12 116.42 119.17 1dsx h ASP 107 Ca 0.45 -0.27 -0.09 0.00 -0.73 0.00 0.00 57.03 56.40 1dsx h ASP 107 Cb 0.41 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1dsx h ASP 107 CO -0.25 0.94 -0.20 0.40 -1.03 0.00 0.00 179.24 179.10 1dsx h ILE 108 N 0.53 1.31 -0.52 4.15 2.04 -1.83 -2.54 117.51 120.66 1dsx h ILE 108 Ca 0.06 -1.34 -0.09 0.00 1.00 0.00 0.00 64.86 64.49 1dsx h ILE 108 Cb 0.83 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1dsx h ILE 108 CO 0.07 0.42 -0.04 0.15 0.00 0.00 0.00 178.15 178.75 1dsx h PHE 109 N 0.29 0.99 -0.37 1.37 3.57 -1.01 -2.22 116.94 119.56 1dsx h PHE 109 Ca 0.05 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 1dsx h PHE 109 Cb 0.74 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1dsx h PHE 109 CO 0.07 0.91 0.14 0.77 -2.23 0.00 0.00 178.31 177.97 1dsx h SER 110 N 0.83 0.46 -0.33 0.41 0.02 -0.88 -0.51 113.55 113.55 1dsx h SER 110 Ca 0.15 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 1dsx h SER 110 Cb 0.55 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1dsx h SER 110 CO 0.03 0.43 -0.24 -0.08 -1.14 0.00 0.00 176.83 175.84 1dsx h GLU 111 N 0.51 0.82 -0.51 3.45 4.57 -1.00 -2.44 114.58 119.99 1dsx h GLU 111 Ca 0.13 -0.34 -0.08 0.00 -1.18 0.00 0.00 59.36 57.88 1dsx h GLU 111 Cb 0.12 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 1dsx h GLU 111 CO -0.01 0.97 0.01 0.93 -1.18 0.00 0.00 179.01 179.74 1dsx h GLU 112 N 0.71 0.89 -0.77 1.92 4.39 -0.72 -0.99 114.58 120.01 1dsx h GLU 112 Ca 0.09 -0.28 0.06 0.00 0.34 0.00 0.00 59.36 59.57 1dsx h GLU 112 Cb 0.77 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.28 1dsx h GLU 112 CO 0.06 0.91 0.46 0.82 -1.16 0.00 0.00 179.01 180.11 1dsx h ILE 113 N 0.75 1.02 -0.47 3.13 2.04 -1.02 -0.36 117.51 122.61 1dsx h ILE 113 Ca 0.15 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1dsx h ILE 113 Cb 0.50 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1dsx h ILE 113 CO 0.02 0.16 0.14 0.03 0.00 0.00 0.00 178.15 178.50 1dsx h ARG 114 N 0.85 0.74 -0.67 2.37 3.08 -1.19 -2.23 114.38 117.33 1dsx h ARG 114 Ca 0.34 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1dsx h ARG 114 Cb 0.16 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1dsx h ARG 114 CO -0.17 0.71 0.44 0.35 -1.07 0.00 0.00 179.97 180.23 1dsx h PHE 115 N 0.63 0.85 -0.00 3.04 3.57 -0.33 -2.20 116.94 122.50 1dsx h PHE 115 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1dsx h PHE 115 Cb 0.28 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1dsx h PHE 115 CO 0.01 0.55 -0.00 0.66 -2.23 0.00 0.00 178.31 177.30 1dsx n TYR 116 N -4.61 0.00 -3.58 0.41 4.02 -0.22 -4.84 117.16 108.34 1dsx n TYR 116 Ca 0.06 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.75 1dsx n TYR 116 Cb 0.02 -0.01 0.06 0.00 -0.02 0.00 0.00 39.34 39.39 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 -0.98 -5.76 0.02 -0.72 1.02 -0.83 -1.91 120.64 111.48 1dsx n GLU 117 Ca 0.24 0.73 -0.07 0.00 -0.02 0.00 0.00 57.16 58.03 1dsx n GLU 117 Cb 0.12 -5.51 -0.13 0.00 -0.02 0.00 0.00 31.44 25.91 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 -1.90 0.00 0.00 -4.62 3.38 -1.76 -3.39 115.31 107.02 1dsx h LEU 118 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1dsx h LEU 118 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1dsx h LEU 118 CO 0.54 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.65