#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 1.11 0.14 3.44 0.52 -1.26 -0.39 118.95 122.51 1dsx s ARG 34 Ca 0.00 -1.20 0.07 0.00 -0.52 0.00 0.00 55.73 54.08 1dsx s ARG 34 Cb 0.00 -1.27 -0.04 0.00 0.52 0.00 0.00 34.95 34.16 1dsx s ARG 34 CO 0.00 0.28 -0.15 0.14 0.02 0.00 0.00 175.30 175.59 1dsx s VAL 35 N -1.44 1.50 -0.17 3.52 -7.23 0.43 -4.85 120.40 112.15 1dsx s VAL 35 Ca 0.08 -1.84 -0.11 0.00 -1.81 0.00 0.00 61.98 58.30 1dsx s VAL 35 Cb -0.09 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 1dsx s VAL 35 CO 0.04 -0.42 0.19 -0.69 -0.31 0.00 0.00 175.10 173.91 1dsx s VAL 36 N -2.26 5.38 -0.20 1.32 1.01 -1.26 -1.74 120.40 122.65 1dsx s VAL 36 Ca 0.13 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1dsx s VAL 36 Cb -0.04 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.85 1dsx s VAL 36 CO 0.04 0.44 -0.16 -0.63 0.00 0.00 0.00 175.10 174.79 1dsx s ILE 37 N 0.23 2.04 -0.37 2.22 1.01 0.60 -0.87 121.20 126.05 1dsx s ILE 37 Ca 0.12 -1.13 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 1dsx s ILE 37 Cb -0.12 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.42 1dsx s ILE 37 CO 0.01 0.35 0.24 0.21 0.00 0.00 0.00 174.94 175.74 1dsx s ASN 38 N 1.25 5.88 -0.69 3.58 3.04 0.74 -0.39 114.94 128.36 1dsx s ASN 38 Ca 0.01 -0.83 -0.14 0.00 0.04 0.00 0.00 52.86 51.94 1dsx s ASN 38 Cb -0.15 -2.08 0.18 0.00 -1.54 0.00 0.00 41.25 37.65 1dsx s ASN 38 CO -0.10 -0.36 0.62 -0.63 -3.04 0.00 0.00 177.10 173.59 1dsx s ILE 39 N 1.63 5.24 -1.49 -5.21 -1.09 -0.02 -1.03 121.20 119.22 1dsx s ILE 39 Ca 0.04 -2.13 -0.12 0.00 -2.23 0.00 0.00 60.65 56.20 1dsx s ILE 39 Cb -0.19 -4.30 0.07 0.00 -1.58 0.00 0.00 42.46 36.46 1dsx s ILE 39 CO 0.08 -0.95 0.92 -1.20 -1.23 0.00 0.00 174.94 172.56 1dsx n SER 40 N 4.43 -5.00 0.00 3.58 7.64 -0.44 -0.61 113.62 123.22 1dsx n SER 40 Ca 0.03 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1dsx n SER 40 Cb 0.44 -4.00 0.00 0.00 -1.01 0.00 0.00 64.21 59.63 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 -1.65 1.12 3.58 0.23 0.00 -1.26 -5.04 105.19 102.16 1dsx n GLY 41 Ca 0.02 0.00 -0.40 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 4.19 -0.20 0.99 2.96 0.22 -5.04 118.68 121.81 1dsx s LEU 42 Ca 0.00 0.06 -0.13 0.00 -0.22 0.00 0.00 54.13 53.84 1dsx s LEU 42 Cb 0.00 -2.38 -0.05 0.00 0.50 0.00 0.00 46.19 44.27 1dsx s LEU 42 CO 0.00 -0.24 0.28 -0.13 -1.32 0.00 0.00 176.35 174.94 1dsx s ARG 43 N 2.05 4.18 0.19 1.98 0.52 -1.26 -0.84 118.95 125.77 1dsx s ARG 43 Ca 0.13 0.02 0.09 0.00 -0.52 0.00 0.00 55.73 55.45 1dsx s ARG 43 Cb -0.16 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 1dsx s ARG 43 CO 0.11 0.11 -0.09 -0.06 0.02 0.00 0.00 175.30 175.39 1dsx s PHE 44 N 0.87 2.63 -0.02 -0.53 0.40 0.48 -4.98 117.98 116.84 1dsx s PHE 44 Ca 0.15 -0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.26 1dsx s PHE 44 Cb -0.13 -1.27 0.01 0.00 0.51 0.00 0.00 43.02 42.14 1dsx s PHE 44 CO 0.05 0.53 -0.02 -1.21 0.70 0.00 0.00 175.22 175.27 1dsx s GLU 45 N -2.95 0.37 -0.02 0.44 2.02 -1.26 -0.29 118.70 117.01 1dsx s GLU 45 Ca 0.26 -0.05 -0.11 0.00 0.02 0.00 0.00 54.97 55.09 1dsx s GLU 45 Cb -0.08 -0.43 0.01 0.00 0.10 0.00 0.00 34.13 33.73 1dsx s GLU 45 CO 0.16 -0.02 0.23 0.54 0.02 0.00 0.00 175.26 176.18 1dsx s VAL 46 N 0.47 0.06 0.23 2.63 0.11 -0.71 -4.99 120.40 118.19 1dsx s VAL 46 Ca -0.05 -0.49 -0.30 0.00 -2.93 0.00 0.00 61.98 58.21 1dsx s VAL 46 Cb -0.08 -0.50 -0.09 0.00 -1.53 0.00 0.00 36.38 34.19 1dsx s VAL 46 CO -0.01 -0.27 1.17 -1.10 -3.33 0.00 0.00 175.10 171.56 1dsx s GLN 47 N -1.12 4.54 0.29 1.54 -0.21 -1.26 -0.42 119.66 123.01 1dsx s GLN 47 Ca -0.12 1.87 0.01 0.00 0.02 0.00 0.00 55.36 57.14 1dsx s GLN 47 Cb -0.06 -3.21 0.52 0.00 1.00 0.00 0.00 33.01 31.27 1dsx s GLN 47 CO 0.03 0.02 1.87 -0.07 -2.12 0.00 0.00 175.29 175.02 1dsx h LEU 48 N 4.59 0.94 -2.05 2.90 3.38 -1.05 -1.08 115.31 122.93 1dsx h LEU 48 Ca -0.46 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1dsx h LEU 48 Cb 1.21 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1dsx h LEU 48 CO 0.71 0.56 0.02 0.11 0.09 0.00 0.00 178.44 179.93 1dsx h LYS 49 N 1.04 0.00 -0.39 1.13 1.57 -1.93 -0.98 116.57 117.01 1dsx h LYS 49 Ca 0.45 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 59.07 1dsx h LYS 49 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1dsx h LYS 49 CO -0.20 0.00 -0.37 1.15 -0.57 0.00 0.00 179.45 179.46 1dsx h THR 50 N 0.00 1.27 -0.01 -0.16 2.02 -1.58 -3.08 112.91 111.38 1dsx h THR 50 Ca 0.01 -1.55 -0.15 0.00 0.77 0.00 0.00 66.41 65.50 1dsx h THR 50 Cb 0.06 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1dsx h THR 50 CO -0.00 0.52 -0.68 -0.07 0.37 0.00 0.00 175.52 175.66 1dsx h LEU 51 N 0.77 0.04 -0.09 2.58 3.38 -1.19 -3.22 115.31 117.58 1dsx h LEU 51 Ca 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1dsx h LEU 51 Cb 0.97 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1dsx h LEU 51 CO 0.09 0.71 0.00 0.00 0.09 0.00 0.00 178.44 179.33 1dsx n ALA 52 N -2.42 1.71 0.20 1.53 0.00 -0.45 -2.50 120.51 118.58 1dsx n ALA 52 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.44 1dsx n ALA 52 Cb 0.67 -1.27 0.48 0.00 0.00 0.00 0.00 19.45 19.32 1dsx n ALA 52 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1dsx h GLN 53 N 0.00 0.04 -2.69 0.00 4.20 -1.56 -3.32 115.11 111.77 1dsx h GLN 53 Ca 0.00 -0.01 -0.61 0.00 0.06 0.00 0.00 58.65 58.09 1dsx h GLN 53 Cb 0.29 -0.01 -0.41 0.00 0.30 0.00 0.00 27.48 27.65 1dsx h GLN 53 CO 0.00 0.22 -0.68 1.19 -0.67 0.00 0.00 178.83 178.90 1dsx n PHE 54 N -4.31 2.44 1.22 2.96 3.01 -1.04 -4.95 117.46 116.80 1dsx n PHE 54 Ca -0.02 -4.07 0.13 0.00 1.01 0.00 0.00 57.45 54.50 1dsx n PHE 54 Cb 0.26 -0.45 0.65 0.00 -0.01 0.00 0.00 39.48 39.92 1dsx n PHE 54 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1dsx n PRO 55 N 1.81 0.38 0.08 -1.08 -0.04 -1.25 -2.05 135.00 132.85 1dsx n PRO 55 Ca 0.24 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 1dsx n PRO 55 Cb 0.40 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.69 1dsx n PRO 55 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1dsx n GLU 56 N -1.28 0.26 -2.63 0.54 0.00 -1.26 -3.79 120.64 112.48 1dsx n GLU 56 Ca 0.12 0.16 -0.23 0.00 0.00 0.00 0.00 57.16 57.21 1dsx n GLU 56 Cb 0.20 -1.75 0.03 0.00 0.00 0.00 0.00 31.44 29.92 1dsx n GLU 56 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1dsx s THR 57 N -3.12 3.21 0.09 3.84 -4.23 -0.87 -4.94 115.64 109.62 1dsx s THR 57 Ca 0.09 -0.43 -0.25 0.00 -1.18 0.00 0.00 61.69 59.92 1dsx s THR 57 Cb 0.13 -3.23 -0.13 0.00 1.34 0.00 0.00 72.50 70.61 1dsx s THR 57 CO 0.64 -0.19 1.70 0.25 -0.54 0.00 0.00 174.62 176.47 1dsx h LEU 58 N 0.02 -0.30 -0.95 4.79 6.46 -1.67 -1.65 115.31 122.01 1dsx h LEU 58 Ca -0.44 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.31 1dsx h LEU 58 Cb 1.28 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 41.30 1dsx h LEU 58 CO 0.57 -0.18 -0.15 -0.07 -0.62 0.00 0.00 178.44 177.99 1dsx h LEU 59 N -0.26 0.00 0.00 2.25 3.38 -1.90 -3.00 115.31 115.77 1dsx h LEU 59 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dsx h LEU 59 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1dsx h LEU 59 CO -0.02 0.15 -0.47 0.61 0.09 0.00 0.00 178.44 178.79 1dsx n GLY 60 N 0.35 -1.26 3.40 0.83 0.00 -1.08 -4.77 105.19 102.67 1dsx n GLY 60 Ca 0.01 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.01 5.52 0.41 1.61 -1.08 -0.64 -4.41 116.67 115.08 1dsx s ASP 61 Ca 0.11 -0.68 0.15 0.00 -0.52 0.00 0.00 52.55 51.61 1dsx s ASP 61 Cb 0.18 -1.99 1.02 0.00 -1.46 0.00 0.00 42.92 40.67 1dsx s ASP 61 CO 0.69 -0.24 1.88 -0.65 0.52 0.00 0.00 175.17 177.37 1dsx h PRO 62 N 8.35 0.45 -0.25 4.34 0.11 -1.86 -1.31 132.00 141.83 1dsx h PRO 62 Ca -0.30 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.62 1dsx h PRO 62 Cb 1.13 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1dsx h PRO 62 CO 0.63 0.30 -0.50 0.87 -0.21 0.00 0.00 178.00 179.08 1dsx h LYS 63 N 0.46 0.69 -0.03 1.05 1.57 -1.94 -2.57 116.57 115.80 1dsx h LYS 63 Ca 0.43 -0.41 -0.25 0.00 -1.87 0.00 0.00 60.65 58.54 1dsx h LYS 63 Cb 0.97 0.04 0.02 0.00 0.08 0.00 0.00 32.23 33.34 1dsx h LYS 63 CO -0.16 1.03 -0.96 0.87 -0.57 0.00 0.00 179.45 179.66 1dsx h LYS 64 N 0.54 0.71 0.00 3.15 1.57 -1.52 -3.27 116.57 117.76 1dsx h LYS 64 Ca 0.02 -0.72 -0.04 0.00 -1.87 0.00 0.00 60.65 58.04 1dsx h LYS 64 Cb 1.06 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1dsx h LYS 64 CO 0.10 1.30 -0.17 0.07 -0.57 0.00 0.00 179.45 180.18 1dsx h ARG 65 N 0.40 0.00 -0.65 3.15 0.11 -1.24 -3.27 114.38 112.88 1dsx h ARG 65 Ca -0.11 0.00 0.12 0.00 0.10 0.00 0.00 59.98 60.09 1dsx h ARG 65 Cb 1.61 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.65 1dsx h ARG 65 CO 0.19 0.17 0.43 1.98 0.10 0.00 0.00 179.97 182.85 1dsx h MET 66 N 0.00 0.38 0.00 0.08 4.05 -1.51 -0.95 114.93 116.99 1dsx h MET 66 Ca -0.00 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1dsx h MET 66 Cb 0.85 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1dsx h MET 66 CO 0.02 0.25 -0.05 0.00 0.23 0.00 0.00 176.91 177.37 1dsx h ARG 67 N 0.40 0.00 -0.08 0.39 -0.00 -1.76 -1.78 114.38 111.55 1dsx h ARG 67 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.79 1dsx h ARG 67 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.63 1dsx h ARG 67 CO -0.09 0.05 0.00 0.66 0.00 0.00 0.00 179.97 180.59 1dsx n TYR 68 N -3.40 0.07 -2.68 3.04 4.02 -0.37 -4.98 117.16 112.86 1dsx n TYR 68 Ca -0.02 -0.04 -0.41 0.00 -0.01 0.00 0.00 57.90 57.42 1dsx n TYR 68 Cb 0.18 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.45 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 -1.66 3.81 -0.35 -0.72 5.36 -0.67 -1.06 117.98 122.69 1dsx s PHE 69 Ca 0.26 1.79 -0.00 0.00 -0.96 0.00 0.00 56.93 58.01 1dsx s PHE 69 Cb 0.18 -3.09 0.09 0.00 -0.34 0.00 0.00 43.02 39.85 1dsx s PHE 69 CO 0.26 0.07 0.08 0.34 -1.46 0.00 0.00 175.22 174.51 1dsx s ASP 70 N -0.40 4.95 0.51 6.13 2.15 0.51 -4.95 116.67 125.57 1dsx s ASP 70 Ca 0.46 -1.80 0.25 0.00 0.43 0.00 0.00 52.55 51.89 1dsx s ASP 70 Cb -0.26 -1.72 1.37 0.00 -0.30 0.00 0.00 42.92 42.01 1dsx s ASP 70 CO 0.32 -0.39 2.06 1.55 -0.17 0.00 0.00 175.17 178.54 1dsx h PRO 71 N 7.89 0.00 -0.22 4.34 0.14 -1.96 0.59 132.00 142.78 1dsx h PRO 71 Ca -0.13 0.00 -0.05 0.00 0.14 0.00 0.00 66.00 65.95 1dsx h PRO 71 Cb 1.04 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.18 1dsx h PRO 71 CO 0.58 0.13 -0.07 -0.07 0.14 0.00 0.00 178.00 178.72 1dsx h LEU 72 N 0.00 0.45 -1.85 1.56 3.38 -1.95 -3.09 115.31 113.81 1dsx h LEU 72 Ca -0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1dsx h LEU 72 Cb 0.33 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1dsx h LEU 72 CO 0.02 0.73 0.00 0.54 0.09 0.00 0.00 178.44 179.81 1dsx n ARG 73 N -4.57 2.24 -3.67 1.13 1.74 -1.18 -4.99 116.66 107.36 1dsx n ARG 73 Ca -0.04 -1.84 -0.30 0.00 -0.77 0.00 0.00 57.85 54.90 1dsx n ARG 73 Cb 0.30 -1.47 0.04 0.00 -1.02 0.00 0.00 32.46 30.31 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 1.12 -4.96 -3.55 0.55 4.05 0.17 -4.99 115.26 107.65 1dsx n ASN 74 Ca 0.17 -0.99 -0.11 0.00 0.45 0.00 0.00 54.58 54.10 1dsx n ASN 74 Cb 0.54 -3.51 -0.04 0.00 1.23 0.00 0.00 39.78 38.00 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 -5.90 1.14 -0.08 1.20 -1.05 -1.02 -4.48 118.70 108.52 1dsx s GLU 75 Ca 0.43 -0.58 -0.16 0.00 -0.15 0.00 0.00 54.97 54.51 1dsx s GLU 75 Cb -0.15 0.51 -0.05 0.00 -0.44 0.00 0.00 34.13 34.01 1dsx s GLU 75 CO 0.85 -0.47 0.41 0.71 0.95 0.00 0.00 175.26 177.71 1dsx s TYR 76 N -3.67 3.60 -0.12 4.83 1.51 -0.05 -0.36 117.35 123.09 1dsx s TYR 76 Ca 0.02 0.87 0.01 0.00 -1.01 0.00 0.00 57.07 56.96 1dsx s TYR 76 Cb 0.01 -2.39 -0.01 0.00 -0.11 0.00 0.00 41.96 39.45 1dsx s TYR 76 CO -0.12 0.39 -0.17 0.12 -1.11 0.00 0.00 175.55 174.67 1dsx s PHE 77 N -0.16 2.72 -0.07 2.71 5.36 -0.22 -0.18 117.98 128.13 1dsx s PHE 77 Ca 0.23 -0.75 0.03 0.00 -0.96 0.00 0.00 56.93 55.48 1dsx s PHE 77 Cb -0.15 -1.79 0.01 0.00 -0.34 0.00 0.00 43.02 40.75 1dsx s PHE 77 CO 0.10 -0.26 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.39 1dsx s PHE 78 N 0.28 1.72 -1.41 10.12 0.40 -0.20 -4.82 117.98 124.08 1dsx s PHE 78 Ca -0.12 -0.65 -0.07 0.00 -0.60 0.00 0.00 56.93 55.48 1dsx s PHE 78 Cb -0.16 -1.22 0.06 0.00 0.51 0.00 0.00 43.02 42.21 1dsx s PHE 78 CO 0.06 -0.31 2.51 -3.47 0.70 0.00 0.00 175.22 174.72 1dsx n ASP 79 N 3.72 8.01 -4.25 1.36 2.03 -1.26 -1.32 116.55 124.83 1dsx n ASP 79 Ca -0.22 -2.98 -0.29 0.00 0.52 0.00 0.00 54.79 51.82 1dsx n ASP 79 Cb 0.52 -1.43 -0.07 0.00 -0.72 0.00 0.00 41.12 39.42 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 2.43 0.68 -2.18 -0.67 5.12 -1.26 -4.98 116.66 115.80 1dsx n ARG 80 Ca 0.66 -3.56 -0.43 0.00 -1.93 0.00 0.00 57.85 52.59 1dsx n ARG 80 Cb 0.25 1.44 -0.02 0.00 -1.16 0.00 0.00 32.46 32.97 1dsx n ARG 80 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1dsx s ASN 81 N -3.63 6.75 0.04 0.55 3.84 -1.26 -4.46 114.94 116.77 1dsx s ASN 81 Ca 0.11 1.96 -0.25 0.00 0.21 0.00 0.00 52.86 54.89 1dsx s ASN 81 Cb 0.01 -2.54 -0.17 0.00 -0.55 0.00 0.00 41.25 38.00 1dsx s ASN 81 CO 0.07 -0.89 1.52 0.03 -2.79 0.00 0.00 177.10 175.04 1dsx h ARG 82 N 9.11 -0.04 0.00 0.43 3.08 -1.97 -3.18 114.38 121.82 1dsx h ARG 82 Ca -0.34 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.69 1dsx h ARG 82 Cb 1.15 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 1dsx h ARG 82 CO 0.97 0.18 -0.11 -1.35 -1.07 0.00 0.00 179.97 178.59 1dsx h PRO 83 N -0.26 0.00 0.00 0.04 0.11 -1.98 -2.51 132.00 127.40 1dsx h PRO 83 Ca -0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 1dsx h PRO 83 Cb 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1dsx h PRO 83 CO 0.01 0.11 -0.49 0.77 -0.21 0.00 0.00 178.00 178.19 1dsx h SER 84 N 0.00 0.00 0.27 -2.05 0.02 -1.97 -3.38 113.55 106.44 1dsx h SER 84 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1dsx h SER 84 Cb 0.39 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1dsx h SER 84 CO 0.01 0.49 -0.36 0.15 -1.14 0.00 0.00 176.83 175.99 1dsx h PHE 85 N 0.00 0.14 -0.75 3.45 3.57 -1.49 -2.69 116.94 119.16 1dsx h PHE 85 Ca -0.00 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.58 1dsx h PHE 85 Cb 1.06 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.69 1dsx h PHE 85 CO 0.00 0.47 0.35 -0.44 -2.23 0.00 0.00 178.31 176.46 1dsx h ASP 86 N 0.11 0.41 -0.29 0.41 3.32 -1.78 0.18 116.42 118.78 1dsx h ASP 86 Ca 0.01 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 1dsx h ASP 86 Cb 0.68 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1dsx h ASP 86 CO 0.05 0.20 -0.30 0.00 -1.72 0.00 0.00 179.24 177.47 1dsx h ALA 87 N 1.49 0.78 -0.20 3.45 0.00 -1.76 0.13 119.26 123.15 1dsx h ALA 87 Ca 0.39 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1dsx h ALA 87 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1dsx h ALA 87 CO -0.33 0.65 0.09 0.82 0.00 0.00 0.00 179.25 180.48 1dsx h ILE 88 N 0.68 1.15 -0.72 0.00 1.08 -1.07 -2.22 117.51 116.42 1dsx h ILE 88 Ca 0.08 -0.46 -0.03 0.00 -0.39 0.00 0.00 64.86 64.06 1dsx h ILE 88 Cb 0.83 1.08 -0.03 0.00 -3.07 0.00 0.00 36.82 35.63 1dsx h ILE 88 CO 0.07 0.15 0.34 0.25 -0.69 0.00 0.00 178.15 178.27 1dsx h LEU 89 N 0.18 0.93 -1.61 1.44 5.85 -0.55 -2.72 115.31 118.83 1dsx h LEU 89 Ca 0.07 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1dsx h LEU 89 Cb 0.16 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1dsx h LEU 89 CO -0.01 0.79 -0.19 0.22 -0.34 0.00 0.00 178.44 178.92 1dsx h TYR 90 N 1.02 0.01 -0.29 1.25 3.20 -0.45 -1.18 116.97 120.53 1dsx h TYR 90 Ca 0.25 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.18 1dsx h TYR 90 Cb 0.11 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 1dsx h TYR 90 CO 0.01 0.20 -0.09 -0.92 -1.64 0.00 0.00 178.16 175.71 1dsx h TYR 91 N 0.01 -0.21 -0.12 -3.82 3.20 -1.07 -0.19 116.97 114.77 1dsx h TYR 91 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1dsx h TYR 91 Cb 0.33 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 1dsx h TYR 91 CO 0.00 -0.15 -0.05 1.88 -1.64 0.00 0.00 178.16 178.20 1dsx h TYR 92 N -0.03 0.28 -0.87 -3.82 -1.99 -1.29 0.20 116.97 109.45 1dsx h TYR 92 Ca 0.14 -0.07 0.02 0.00 2.00 0.00 0.00 58.73 60.83 1dsx h TYR 92 Cb 0.25 -0.06 -0.05 0.00 2.00 0.00 0.00 36.73 38.87 1dsx h TYR 92 CO -0.30 0.58 0.57 1.96 -0.00 0.00 0.00 178.16 180.98 1dsx h GLN 93 N -0.10 1.09 -0.00 4.88 4.20 -1.13 -2.58 115.11 121.47 1dsx h GLN 93 Ca 0.03 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1dsx h GLN 93 Cb 0.50 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1dsx h GLN 93 CO 0.02 0.72 -0.03 -1.13 -0.67 0.00 0.00 178.83 177.74 1dsx n SER 94 N -4.43 0.04 0.00 1.46 3.41 -0.11 -4.93 113.62 109.06 1dsx n SER 94 Ca 0.11 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1dsx n SER 94 Cb 0.07 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 1.45 0.57 0.00 5.00 0.00 -0.97 -4.43 105.19 106.80 1dsx n GLY 95 Ca 0.09 -0.80 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 -1.34 1.60 3.51 -0.02 0.00 0.68 -5.04 105.19 104.58 1dsx n GLY 96 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.01 3.31 -0.41 1.61 1.81 -1.24 -5.01 118.95 119.00 1dsx s ARG 97 Ca 0.00 -0.35 -0.15 0.00 -1.72 0.00 0.00 55.73 53.51 1dsx s ARG 97 Cb 0.00 -4.04 0.02 0.00 -0.45 0.00 0.00 34.95 30.48 1dsx s ARG 97 CO 0.00 -1.38 0.30 -1.17 -0.68 0.00 0.00 175.30 172.37 1dsx s LEU 98 N 3.61 5.13 -0.08 2.53 2.96 -1.26 -3.78 118.68 127.78 1dsx s LEU 98 Ca 0.28 -0.94 0.03 0.00 -0.22 0.00 0.00 54.13 53.28 1dsx s LEU 98 Cb -0.14 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.40 1dsx s LEU 98 CO 0.18 -0.46 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.43 1dsx s ARG 99 N 1.67 2.43 0.01 1.98 0.52 -1.26 -5.11 118.95 119.19 1dsx s ARG 99 Ca 0.05 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.28 1dsx s ARG 99 Cb -0.19 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 1dsx s ARG 99 CO 0.10 0.13 1.13 0.50 0.02 0.00 0.00 175.30 177.17 1dsx s ARG 100 N 0.45 4.45 0.30 3.54 3.52 -1.26 -4.84 118.95 125.11 1dsx s ARG 100 Ca -0.16 1.63 -0.29 0.00 -0.13 0.00 0.00 55.73 56.78 1dsx s ARG 100 Cb -0.17 -3.43 -0.10 0.00 -1.56 0.00 0.00 34.95 29.69 1dsx s ARG 100 CO 0.06 -0.24 1.34 -1.25 -0.81 0.00 0.00 175.30 174.41 1dsx s PRO 101 N 1.31 4.33 0.33 5.12 0.04 -1.26 -4.92 135.00 139.95 1dsx s PRO 101 Ca 0.56 2.23 0.05 0.00 0.04 0.00 0.00 61.00 63.88 1dsx s PRO 101 Cb -0.26 -3.09 0.68 0.00 0.04 0.00 0.00 34.50 31.87 1dsx s PRO 101 CO 0.27 -0.26 1.89 0.28 0.04 0.00 0.00 177.00 179.22 1dsx h VAL 102 N 3.21 0.95 -0.00 -0.36 2.07 -2.00 -2.25 116.25 117.86 1dsx h VAL 102 Ca -0.48 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1dsx h VAL 102 Cb 1.22 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1dsx h VAL 102 CO 0.69 0.16 -0.01 -0.46 0.02 0.00 0.00 177.57 177.97 1dsx n ASN 103 N -4.54 0.15 -4.26 0.57 6.94 -1.26 -4.76 115.26 108.11 1dsx n ASN 103 Ca 0.16 -0.85 -0.34 0.00 -0.02 0.00 0.00 54.58 53.52 1dsx n ASN 103 Cb 0.33 -0.06 -0.15 0.00 -2.36 0.00 0.00 39.78 37.55 1dsx n ASN 103 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1dsx s VAL 104 N -2.14 2.91 0.49 3.53 1.01 -0.85 -5.10 120.40 120.25 1dsx s VAL 104 Ca 0.42 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 1dsx s VAL 104 Cb 0.21 -2.28 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 1dsx s VAL 104 CO 0.39 0.47 1.12 -2.65 0.00 0.00 0.00 175.10 174.44 1dsx n PRO 105 N 4.58 1.45 -0.20 2.72 -0.02 -1.26 -4.71 135.00 137.56 1dsx n PRO 105 Ca -0.19 0.53 0.05 0.00 -2.02 0.00 0.00 63.50 61.87 1dsx n PRO 105 Cb 0.51 -2.25 0.32 0.00 -0.02 0.00 0.00 33.50 32.05 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 1.40 0.73 -0.72 2.45 5.85 -1.97 -1.61 115.31 121.44 1dsx h LEU 106 Ca -0.47 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 1dsx h LEU 106 Cb 1.33 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1dsx h LEU 106 CO 0.56 0.48 0.04 -2.24 -0.34 0.00 0.00 178.44 176.95 1dsx h ASP 107 N 0.84 0.99 -0.09 1.25 2.03 -1.99 0.36 116.42 119.81 1dsx h ASP 107 Ca 0.31 -0.26 -0.03 0.00 -0.73 0.00 0.00 57.03 56.33 1dsx h ASP 107 Cb 0.18 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.41 1dsx h ASP 107 CO -0.10 1.02 -0.06 0.40 -1.03 0.00 0.00 179.24 179.47 1dsx h ILE 108 N 0.95 1.34 -0.73 4.15 2.04 -1.77 -3.03 117.51 120.46 1dsx h ILE 108 Ca 0.18 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1dsx h ILE 108 Cb 0.49 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 1dsx h ILE 108 CO 0.02 0.31 0.33 0.15 0.00 0.00 0.00 178.15 178.97 1dsx h PHE 109 N -0.19 1.07 -0.87 1.37 3.57 -1.22 -2.10 116.94 118.56 1dsx h PHE 109 Ca 0.02 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.50 1dsx h PHE 109 Cb 0.53 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1dsx h PHE 109 CO 0.07 0.80 0.56 0.77 -2.23 0.00 0.00 178.31 178.28 1dsx h SER 110 N 1.03 0.91 -0.77 0.41 0.02 -0.96 0.01 113.55 114.19 1dsx h SER 110 Ca 0.25 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1dsx h SER 110 Cb 0.15 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1dsx h SER 110 CO -0.03 0.61 0.27 -0.08 -1.14 0.00 0.00 176.83 176.46 1dsx h GLU 111 N 1.06 1.18 -0.26 3.45 4.57 -1.34 -1.29 114.58 121.95 1dsx h GLU 111 Ca 0.36 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 1dsx h GLU 111 Cb 0.06 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1dsx h GLU 111 CO -0.13 0.98 0.04 0.93 -1.18 0.00 0.00 179.01 179.64 1dsx h GLU 112 N 1.14 0.43 -0.75 1.92 4.39 -0.74 -1.03 114.58 119.94 1dsx h GLU 112 Ca 0.25 -0.12 0.13 0.00 0.34 0.00 0.00 59.36 59.97 1dsx h GLU 112 Cb 0.27 -0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 28.79 1dsx h GLU 112 CO -0.01 0.56 0.32 0.82 -1.16 0.00 0.00 179.01 179.54 1dsx h ILE 113 N 0.23 0.70 0.20 3.13 2.04 -0.71 -0.40 117.51 122.70 1dsx h ILE 113 Ca 0.08 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1dsx h ILE 113 Cb 0.34 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1dsx h ILE 113 CO 0.01 0.09 -0.20 -0.09 0.00 0.00 0.00 178.15 177.96 1dsx h ARG 114 N 0.49 -0.41 -0.54 2.37 2.43 -1.03 -2.22 114.38 115.46 1dsx h ARG 114 Ca 0.41 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1dsx h ARG 114 Cb 0.58 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1dsx h ARG 114 CO -0.37 -0.27 0.33 0.35 -1.51 0.00 0.00 179.97 178.50 1dsx h PHE 115 N -0.42 0.71 0.00 2.20 3.57 -0.72 -2.51 116.94 119.77 1dsx h PHE 115 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1dsx h PHE 115 Cb 0.40 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1dsx h PHE 115 CO -0.15 0.48 0.00 0.66 -2.23 0.00 0.00 178.31 177.07 1dsx n TYR 116 N -4.67 0.00 -3.52 0.41 4.02 -0.20 -4.85 117.16 108.35 1dsx n TYR 116 Ca 0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.71 1dsx n TYR 116 Cb 0.05 -0.11 0.08 0.00 -0.02 0.00 0.00 39.34 39.34 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 -1.11 -7.38 0.10 -0.72 1.02 -0.85 -2.19 120.64 109.51 1dsx n GLU 117 Ca 0.19 0.83 -0.02 0.00 -0.02 0.00 0.00 57.16 58.13 1dsx n GLU 117 Cb 0.15 -5.85 -0.05 0.00 -0.02 0.00 0.00 31.44 25.67 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 -2.37 0.00 0.00 -4.62 3.38 -1.79 -3.38 115.31 106.53 1dsx h LEU 118 Ca -0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.40 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 0.53 0.76 0.00 0.61 0.09 0.00 0.00 178.44 180.43