#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sar s VAL 2 N 0.00 5.01 0.02 2.53 1.01 -1.26 -4.68 120.40 123.02 1sar s VAL 2 Ca 0.00 1.03 0.32 0.00 0.00 0.00 0.00 61.98 63.33 1sar s VAL 2 Cb 0.00 -3.83 0.35 0.00 0.00 0.00 0.00 36.38 32.90 1sar s VAL 2 CO 0.00 0.45 1.95 0.28 0.00 0.00 0.00 175.10 177.78 1sar h SER 3 N 5.60 0.00 -0.96 3.32 0.02 -0.48 -3.49 113.55 117.57 1sar h SER 3 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1sar h SER 3 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1sar h SER 3 CO 0.69 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.99 1sar n GLY 4 N -0.25 -0.43 3.54 -3.77 0.00 -1.26 -5.02 105.19 98.00 1sar n GLY 4 Ca 0.00 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 1sar n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sar s THR 5 N -2.76 3.39 -0.05 2.61 2.01 -1.26 -0.66 115.64 118.92 1sar s THR 5 Ca 0.00 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.33 1sar s THR 5 Cb 0.00 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 70.12 1sar s THR 5 CO 0.00 0.51 -0.15 0.54 -0.69 0.00 0.00 174.62 174.84 1sar s VAL 6 N -0.85 1.25 0.34 3.82 0.11 0.13 -4.89 120.40 120.31 1sar s VAL 6 Ca 0.14 -0.60 -0.28 0.00 -2.93 0.00 0.00 61.98 58.30 1sar s VAL 6 Cb -0.11 -1.09 -0.10 0.00 -1.53 0.00 0.00 36.38 33.55 1sar s VAL 6 CO 0.03 0.37 1.29 0.00 -3.33 0.00 0.00 175.10 173.46 1sar h LEU 8 N 3.28 0.32 -1.75 0.00 5.85 -0.83 -1.41 115.31 120.77 1sar h LEU 8 Ca -0.49 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1sar h LEU 8 Cb 1.23 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1sar h LEU 8 CO 0.65 0.21 -0.06 0.77 -0.34 0.00 0.00 178.44 179.67 1sar h SER 9 N 0.37 0.00 0.56 1.25 4.64 -1.77 -1.89 113.55 116.72 1sar h SER 9 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1sar h SER 9 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1sar h SER 9 CO -0.06 0.06 -0.35 0.00 -0.87 0.00 0.00 176.83 175.61 1sar n ALA 10 N -2.14 3.20 -2.37 5.18 0.00 -0.54 -4.93 120.51 118.91 1sar n ALA 10 Ca -0.01 -0.30 -0.24 0.00 0.00 0.00 0.00 53.44 52.89 1sar n ALA 10 Cb 0.27 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.52 1sar n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sar s LEU 11 N -2.91 3.69 0.61 0.00 1.43 -0.71 -5.02 118.68 115.77 1sar s LEU 11 Ca 0.14 0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 53.53 1sar s LEU 11 Cb 0.18 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 43.00 1sar s LEU 11 CO 0.63 -0.62 0.81 -2.65 0.23 0.00 0.00 176.35 174.75 1sar n PRO 12 N -2.08 0.72 0.19 1.29 -0.02 -1.26 -4.84 135.00 129.00 1sar n PRO 12 Ca 0.00 0.28 0.12 0.00 -2.02 0.00 0.00 63.50 61.89 1sar n PRO 12 Cb 0.57 -2.01 0.69 0.00 -0.02 0.00 0.00 33.50 32.73 1sar n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1sar h PRO 13 N 0.31 0.00 0.00 0.52 0.13 -1.96 -1.35 132.00 129.65 1sar h PRO 13 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1sar h PRO 13 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1sar h PRO 13 CO 0.49 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.19 1sar h GLU 14 N 0.00 0.00 -0.68 0.86 3.07 -1.88 -1.86 114.58 114.08 1sar h GLU 14 Ca 0.07 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1sar h GLU 14 Cb 0.30 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 1sar h GLU 14 CO -0.00 0.00 0.45 0.00 -1.40 0.00 0.00 179.01 178.06 1sar h ALA 15 N 2.01 0.87 -0.86 3.43 0.00 -1.58 -0.41 119.26 122.72 1sar h ALA 15 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1sar h ALA 15 Cb 0.23 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1sar h ALA 15 CO 0.00 0.29 0.44 1.15 0.00 0.00 0.00 179.25 181.13 1sar h THR 16 N 0.93 1.26 -0.50 0.00 2.02 -1.48 0.95 112.91 116.09 1sar h THR 16 Ca 0.25 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 1sar h THR 16 Cb -0.11 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.41 1sar h THR 16 CO -0.05 0.30 0.17 0.44 0.37 0.00 0.00 175.52 176.75 1sar h ASP 17 N 1.22 0.72 -0.56 4.18 3.32 -1.34 -2.02 116.42 121.94 1sar h ASP 17 Ca 0.30 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1sar h ASP 17 Cb 0.08 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1sar h ASP 17 CO -0.04 0.72 -0.03 0.74 -1.72 0.00 0.00 179.24 178.91 1sar h THR 18 N 0.68 1.27 -0.96 0.35 2.02 -0.66 0.30 112.91 115.90 1sar h THR 18 Ca 0.16 -1.16 0.06 0.00 0.77 0.00 0.00 66.41 66.24 1sar h THR 18 Cb 0.25 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 1sar h THR 18 CO -0.01 0.41 0.62 -0.07 0.37 0.00 0.00 175.52 176.85 1sar h LEU 19 N 0.88 0.99 -0.30 2.58 3.38 -0.57 0.17 115.31 122.44 1sar h LEU 19 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1sar h LEU 19 Cb 0.58 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1sar h LEU 19 CO 0.03 0.64 0.06 0.78 0.09 0.00 0.00 178.44 180.05 1sar h ASN 20 N 1.13 0.47 -0.04 -0.43 2.35 -0.83 -0.44 115.58 117.79 1sar h ASN 20 Ca 0.41 -0.25 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1sar h ASN 20 Cb 0.15 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1sar h ASN 20 CO -0.15 0.60 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.04 1sar h LEU 21 N 0.33 0.32 -0.64 1.61 3.38 -0.25 -1.86 115.31 118.20 1sar h LEU 21 Ca 0.09 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1sar h LEU 21 Cb 0.32 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1sar h LEU 21 CO 0.00 0.48 0.04 0.40 0.09 0.00 0.00 178.44 179.45 1sar h ILE 22 N 0.32 1.27 -0.48 1.22 2.04 -0.25 1.14 117.51 122.77 1sar h ILE 22 Ca 0.06 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.84 1sar h ILE 22 Cb 0.41 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1sar h ILE 22 CO 0.02 0.41 0.24 0.00 0.00 0.00 0.00 178.15 178.83 1sar h ALA 23 N 1.01 0.60 -0.01 1.87 0.00 -0.24 -2.06 119.26 120.43 1sar h ALA 23 Ca 0.19 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1sar h ALA 23 Cb 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1sar h ALA 23 CO 0.03 -0.11 -0.08 -1.13 0.00 0.00 0.00 179.25 177.96 1sar n SER 24 N -4.89 0.95 -3.13 0.00 3.41 -1.07 -4.91 113.62 103.97 1sar n SER 24 Ca 0.04 -1.08 -0.21 0.00 -0.26 0.00 0.00 58.87 57.36 1sar n SER 24 Cb 0.12 0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.15 1sar n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1sar n ASP 25 N -0.43 -5.83 0.00 4.04 2.03 -0.34 -4.71 116.55 111.30 1sar n ASP 25 Ca 0.17 -0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.04 1sar n ASP 25 Cb 0.30 -4.48 0.00 0.00 -0.72 0.00 0.00 41.12 36.22 1sar n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sar n GLY 26 N -1.77 -1.71 3.77 0.27 0.00 0.38 -4.75 105.19 101.38 1sar n GLY 26 Ca -0.01 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 1sar n GLY 26 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sar s PRO 27 N 0.00 4.37 0.13 1.61 0.02 -1.26 -4.93 135.00 134.94 1sar s PRO 27 Ca 0.00 2.06 -0.16 0.00 0.02 0.00 0.00 61.00 62.92 1sar s PRO 27 Cb 0.00 -3.04 -0.07 0.00 0.02 0.00 0.00 34.50 31.41 1sar s PRO 27 CO 0.00 -0.12 0.57 -0.06 -0.33 0.00 0.00 177.00 177.07 1sar s PHE 28 N -1.19 3.66 0.28 6.54 0.08 -1.26 -5.02 117.98 121.08 1sar s PHE 28 Ca 0.49 1.15 -0.01 0.00 0.12 0.00 0.00 56.93 58.68 1sar s PHE 28 Cb -0.37 -2.43 0.41 0.00 -0.57 0.00 0.00 43.02 40.06 1sar s PHE 28 CO 0.48 0.46 1.83 -1.00 -0.10 0.00 0.00 175.22 176.89 1sar h PRO 29 N 3.81 0.82 -6.46 0.24 0.13 -1.99 -3.44 132.00 125.10 1sar h PRO 29 Ca -0.49 -0.17 -0.67 0.00 -0.87 0.00 0.00 66.00 63.80 1sar h PRO 29 Cb 1.20 -0.12 -0.18 0.00 0.13 0.00 0.00 31.00 32.03 1sar h PRO 29 CO 0.65 0.74 -0.74 0.71 -0.23 0.00 0.00 178.00 179.13 1sar s TYR 30 N -5.20 2.75 0.38 1.56 2.02 -1.26 -5.01 117.35 112.60 1sar s TYR 30 Ca -0.10 -0.14 0.34 0.00 -0.37 0.00 0.00 57.07 56.81 1sar s TYR 30 Cb 0.15 -1.50 1.70 0.00 -0.40 0.00 0.00 41.96 41.91 1sar s TYR 30 CO 0.80 0.37 2.13 0.66 -1.57 0.00 0.00 175.55 177.94 1sar h SER 31 N 4.13 0.00 0.15 2.29 4.64 -2.05 -1.01 113.55 121.70 1sar h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1sar h SER 31 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1sar h SER 31 CO 0.52 0.05 -0.06 0.00 -0.87 0.00 0.00 176.83 176.47 1sar n GLN 32 N -3.30 1.06 -2.31 4.77 1.13 -1.26 -4.85 117.38 112.62 1sar n GLN 32 Ca -0.01 -0.41 -0.41 0.00 -1.94 0.00 0.00 57.00 54.24 1sar n GLN 32 Cb 0.22 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.04 1sar n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1sar s ASP 33 N -2.22 7.04 0.00 1.08 1.01 -0.39 -3.34 116.67 119.86 1sar s ASP 33 Ca 0.36 2.43 0.00 0.00 0.71 0.00 0.00 52.55 56.05 1sar s ASP 33 Cb 0.21 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1sar s ASP 33 CO 0.41 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 176.06 1sar n GLY 34 N 1.25 0.71 3.79 0.21 0.00 0.16 -5.00 105.19 106.32 1sar n GLY 34 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1sar n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sar s VAL 35 N -2.47 3.62 0.32 1.61 -7.23 -1.21 -4.66 120.40 110.38 1sar s VAL 35 Ca 0.00 0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 60.76 1sar s VAL 35 Cb 0.00 -3.36 -0.11 0.00 0.56 0.00 0.00 36.38 33.47 1sar s VAL 35 CO 0.00 -0.34 1.56 -0.69 -0.31 0.00 0.00 175.10 175.32 1sar s VAL 36 N -2.16 2.06 -0.31 1.32 1.01 -1.26 0.56 120.40 121.62 1sar s VAL 36 Ca 0.67 0.05 -0.20 0.00 0.00 0.00 0.00 61.98 62.50 1sar s VAL 36 Cb -0.18 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1sar s VAL 36 CO 0.30 0.01 0.63 0.12 0.00 0.00 0.00 175.10 176.16 1sar s PHE 37 N -0.36 3.21 -0.12 5.22 5.36 -0.56 -4.73 117.98 126.00 1sar s PHE 37 Ca 0.60 0.57 0.24 0.00 -0.96 0.00 0.00 56.93 57.38 1sar s PHE 37 Cb -0.47 -3.00 0.65 0.00 -0.34 0.00 0.00 43.02 39.86 1sar s PHE 37 CO 0.53 -0.49 1.71 1.96 -1.46 0.00 0.00 175.22 177.47 1sar h GLN 38 N 8.20 0.00 -5.06 10.12 4.20 -1.94 -3.41 115.11 127.23 1sar h GLN 38 Ca -0.27 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.04 1sar h GLN 38 Cb 1.12 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.91 1sar h GLN 38 CO 0.81 0.16 -0.61 -1.71 -0.67 0.00 0.00 178.83 176.80 1sar n ASN 39 N -3.20 -5.28 0.11 1.46 5.15 -1.26 -4.85 115.26 107.39 1sar n ASN 39 Ca 0.02 -0.38 0.16 0.00 -0.60 0.00 0.00 54.58 53.78 1sar n ASN 39 Cb 0.50 -4.27 0.69 0.00 -0.53 0.00 0.00 39.78 36.16 1sar n ASN 39 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1sar h ARG 40 N -1.43 0.00 -0.62 1.20 0.11 -1.99 0.13 114.38 111.79 1sar h ARG 40 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 1sar h ARG 40 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.42 1sar h ARG 40 CO 0.57 0.00 0.00 0.39 0.10 0.00 0.00 179.97 181.03 1sar n GLU 41 N -4.35 4.45 -3.68 0.08 -0.58 -1.26 -4.92 120.64 110.38 1sar n GLU 41 Ca 0.05 -3.05 -0.28 0.00 -0.42 0.00 0.00 57.16 53.46 1sar n GLU 41 Cb 0.41 -2.13 0.01 0.00 -0.57 0.00 0.00 31.44 29.16 1sar n GLU 41 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1sar n SER 42 N 0.84 -4.56 -0.05 1.62 7.64 0.47 -4.87 113.62 114.72 1sar n SER 42 Ca 0.27 -0.63 -0.16 0.00 1.01 0.00 0.00 58.87 59.37 1sar n SER 42 Cb 1.08 -3.68 -0.06 0.00 -1.01 0.00 0.00 64.21 60.54 1sar n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1sar h VAL 43 N -1.64 1.30 -3.22 0.44 2.07 -1.91 -3.40 116.25 109.88 1sar h VAL 43 Ca -0.53 -1.80 -0.49 0.00 0.82 0.00 0.00 66.70 64.70 1sar h VAL 43 Cb 1.35 1.86 0.02 0.00 -1.52 0.00 0.00 31.29 33.00 1sar h VAL 43 CO 0.63 0.57 -0.03 -0.76 0.02 0.00 0.00 177.57 178.00 1sar s LEU 44 N -8.61 3.82 0.33 2.57 1.43 -1.26 -0.92 118.68 116.04 1sar s LEU 44 Ca -0.11 0.71 -0.27 0.00 -1.03 0.00 0.00 54.13 53.43 1sar s LEU 44 Cb 0.08 -3.62 -0.13 0.00 0.03 0.00 0.00 46.19 42.56 1sar s LEU 44 CO 0.88 -0.43 1.09 -2.65 0.23 0.00 0.00 176.35 175.47 1sar n PRO 45 N -1.95 1.58 -1.77 1.29 -0.02 -1.26 -4.87 135.00 127.98 1sar n PRO 45 Ca -0.02 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1sar n PRO 45 Cb 0.55 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1sar n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1sar s THR 46 N -1.11 2.11 0.08 3.45 2.01 -1.26 -4.99 115.64 115.93 1sar s THR 46 Ca 0.58 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.57 1sar s THR 46 Cb -0.63 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1sar s THR 46 CO 0.60 0.01 0.22 -1.10 -0.69 0.00 0.00 174.62 173.66 1sar s GLN 47 N 0.45 0.83 0.82 4.92 -1.52 -1.26 -5.13 119.66 118.77 1sar s GLN 47 Ca 0.69 -0.84 -0.13 0.00 -1.95 0.00 0.00 55.36 53.13 1sar s GLN 47 Cb -0.48 0.34 0.09 0.00 -0.22 0.00 0.00 33.01 32.74 1sar s GLN 47 CO 0.39 -0.26 1.19 0.43 -0.25 0.00 0.00 175.29 176.78 1sar n SER 48 N 0.12 0.92 -4.63 5.90 7.64 -1.26 -4.88 113.62 117.44 1sar n SER 48 Ca -0.16 0.57 -0.44 0.00 1.01 0.00 0.00 58.87 59.84 1sar n SER 48 Cb 0.62 -1.50 -0.04 0.00 -1.01 0.00 0.00 64.21 62.28 1sar n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sar n TYR 49 N -3.39 2.21 0.00 1.43 4.19 -1.26 -2.21 117.16 118.13 1sar n TYR 49 Ca 0.13 -0.17 0.00 0.00 3.31 0.00 0.00 57.90 61.18 1sar n TYR 49 Cb 0.51 -2.73 0.00 0.00 0.49 0.00 0.00 39.34 37.61 1sar n TYR 49 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1sar n GLY 50 N 5.12 1.16 0.18 2.98 0.00 -1.26 -4.97 105.19 108.41 1sar n GLY 50 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 1sar n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1sar h TYR 51 N 0.00 0.58 -3.28 1.61 5.03 -1.78 -3.45 116.97 115.68 1sar h TYR 51 Ca 0.00 -0.25 -0.65 0.00 2.58 0.00 0.00 58.73 60.41 1sar h TYR 51 Cb 0.00 -0.09 -0.12 0.00 1.55 0.00 0.00 36.73 38.07 1sar h TYR 51 CO 0.00 1.00 -0.63 0.71 -1.32 0.00 0.00 178.16 177.92 1sar s TYR 52 N -3.68 3.11 0.07 -3.82 2.02 -1.26 -2.88 117.35 110.90 1sar s TYR 52 Ca -0.06 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 1sar s TYR 52 Cb 0.11 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.99 1sar s TYR 52 CO 0.84 0.49 -0.08 -1.01 -1.57 0.00 0.00 175.55 174.22 1sar s HIS 53 N -1.22 0.81 0.14 2.71 3.76 -0.79 -1.50 115.29 119.20 1sar s HIS 53 Ca 0.24 -0.64 0.08 0.00 -0.15 0.00 0.00 55.06 54.59 1sar s HIS 53 Cb -0.12 -0.47 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 1sar s HIS 53 CO 0.15 -0.09 -0.18 -1.83 -0.85 0.00 0.00 174.74 171.94 1sar s GLU 54 N -2.39 1.18 0.03 1.40 -1.05 0.19 -0.80 118.70 117.27 1sar s GLU 54 Ca -0.01 -1.29 0.03 0.00 -0.15 0.00 0.00 54.97 53.55 1sar s GLU 54 Cb -0.05 -1.28 -0.02 0.00 -0.44 0.00 0.00 34.13 32.34 1sar s GLU 54 CO -0.01 0.27 -0.11 0.71 0.95 0.00 0.00 175.26 177.08 1sar s TYR 55 N -1.74 0.93 0.28 4.83 1.51 0.15 0.38 117.35 123.68 1sar s TYR 55 Ca 0.11 -0.34 -0.29 0.00 -1.01 0.00 0.00 57.07 55.54 1sar s TYR 55 Cb -0.07 -0.56 -0.10 0.00 -0.11 0.00 0.00 41.96 41.13 1sar s TYR 55 CO 0.05 -0.01 1.12 0.99 -1.11 0.00 0.00 175.55 176.60 1sar s THR 56 N -0.83 3.40 -0.41 -0.71 2.01 -1.26 -1.50 115.64 116.34 1sar s THR 56 Ca -0.01 1.41 -0.10 0.00 0.31 0.00 0.00 61.69 63.30 1sar s THR 56 Cb -0.07 -3.90 0.07 0.00 0.01 0.00 0.00 72.50 68.61 1sar s THR 56 CO 0.01 0.33 0.25 -0.69 -0.69 0.00 0.00 174.62 173.83 1sar s VAL 57 N -1.13 4.33 0.29 3.82 1.01 -0.79 -4.79 120.40 123.15 1sar s VAL 57 Ca 0.45 -1.25 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1sar s VAL 57 Cb -0.33 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 1sar s VAL 57 CO 0.42 -0.44 1.44 -0.63 0.00 0.00 0.00 175.10 175.89 1sar s ILE 58 N 1.46 2.49 -0.41 2.22 1.01 -1.26 -4.28 121.20 122.44 1sar s ILE 58 Ca 0.03 0.44 -0.05 0.00 0.00 0.00 0.00 60.65 61.07 1sar s ILE 58 Cb -0.22 -3.28 0.10 0.00 0.01 0.00 0.00 42.46 39.07 1sar s ILE 58 CO 0.03 0.08 0.21 -0.89 0.00 0.00 0.00 174.94 174.38 1sar s THR 59 N -0.44 3.55 0.32 2.92 2.01 -1.26 -4.70 115.64 118.03 1sar s THR 59 Ca 0.56 -1.83 -0.29 0.00 0.31 0.00 0.00 61.69 60.44 1sar s THR 59 Cb -0.43 -3.33 -0.11 0.00 0.01 0.00 0.00 72.50 68.64 1sar s THR 59 CO 0.49 -0.60 1.58 -2.84 -0.69 0.00 0.00 174.62 172.56 1sar s PRO 60 N 1.23 4.10 0.00 4.92 0.02 -1.26 -2.42 135.00 141.59 1sar s PRO 60 Ca 0.05 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.68 1sar s PRO 60 Cb -0.23 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1sar s PRO 60 CO -0.02 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 1sar n GLY 61 N 1.75 3.36 3.77 0.52 0.00 -1.26 -5.06 105.19 108.27 1sar n GLY 61 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1sar n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sar s ALA 62 N -2.47 3.23 -1.07 4.61 0.00 -1.02 -4.96 121.76 120.09 1sar s ALA 62 Ca 0.00 0.62 0.26 0.00 0.00 0.00 0.00 51.96 52.84 1sar s ALA 62 Cb 0.00 -3.22 0.72 0.00 0.00 0.00 0.00 23.12 20.62 1sar s ALA 62 CO 0.00 0.07 1.56 2.89 0.00 0.00 0.00 175.76 180.29 1sar n ARG 63 N 0.69 0.08 -2.69 0.00 1.85 -1.26 -4.90 116.66 110.41 1sar n ARG 63 Ca 0.01 -0.04 -0.10 0.00 -1.00 0.00 0.00 57.85 56.73 1sar n ARG 63 Cb 0.49 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.38 1sar n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1sar n THR 64 N -1.43 0.00 0.33 8.89 -2.24 -1.26 -5.01 114.28 113.57 1sar n THR 64 Ca 0.07 -0.76 0.13 0.00 -2.27 0.00 0.00 64.05 61.21 1sar n THR 64 Cb 0.33 0.01 0.57 0.00 -2.10 0.00 0.00 70.33 69.14 1sar n THR 64 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1sar h ARG 65 N 0.00 0.00 0.00 -0.78 3.08 -1.97 -3.46 114.38 111.25 1sar h ARG 65 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1sar h ARG 65 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1sar h ARG 65 CO 0.21 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.52 1sar n GLY 66 N -0.28 -0.52 0.16 0.04 0.00 -1.26 -4.56 105.19 98.78 1sar n GLY 66 Ca 0.01 -1.10 0.02 0.00 0.00 0.00 0.00 46.02 44.95 1sar n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sar n THR 67 N 0.00 0.52 -3.45 2.61 -2.24 -1.26 -4.94 114.28 105.52 1sar n THR 67 Ca 0.00 -0.76 -0.37 0.00 -2.27 0.00 0.00 64.05 60.65 1sar n THR 67 Cb 0.00 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 1sar n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sar s ARG 68 N -0.65 4.16 0.09 -0.78 0.52 -1.26 -1.16 118.95 119.87 1sar s ARG 68 Ca 0.06 0.32 -0.07 0.00 -0.52 0.00 0.00 55.73 55.52 1sar s ARG 68 Cb 0.03 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 1sar s ARG 68 CO 0.04 0.37 0.16 1.03 0.02 0.00 0.00 175.30 176.92 1sar s ARG 69 N -0.01 0.85 -0.13 3.54 1.81 0.14 -1.88 118.95 123.26 1sar s ARG 69 Ca 0.22 -1.07 0.02 0.00 -1.72 0.00 0.00 55.73 53.19 1sar s ARG 69 Cb -0.15 0.32 0.00 0.00 -0.45 0.00 0.00 34.95 34.67 1sar s ARG 69 CO 0.09 -0.26 -0.19 0.42 -0.68 0.00 0.00 175.30 174.68 1sar s ILE 70 N -3.90 2.38 -0.13 1.52 1.01 -0.56 -1.24 121.20 120.28 1sar s ILE 70 Ca 0.08 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 1sar s ILE 70 Cb 0.05 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 1sar s ILE 70 CO -0.09 0.54 -0.12 -0.63 0.00 0.00 0.00 174.94 174.64 1sar s ILE 71 N 0.64 3.11 0.24 2.92 1.09 0.59 -0.68 121.20 129.11 1sar s ILE 71 Ca -0.10 -0.64 0.10 0.00 -1.10 0.00 0.00 60.65 58.91 1sar s ILE 71 Cb -0.16 -2.31 -0.04 0.00 -1.06 0.00 0.00 42.46 38.88 1sar s ILE 71 CO 0.02 0.52 -0.07 0.00 -0.10 0.00 0.00 174.94 175.31 1sar s GLY 73 N -3.37 2.68 0.50 0.00 0.00 0.41 -1.89 107.32 105.64 1sar s GLY 73 Ca 0.29 -0.81 0.27 0.00 0.00 0.00 0.00 44.72 44.47 1sar s GLY 73 CO 0.17 -2.06 1.97 0.83 0.00 0.00 0.00 173.10 174.01 1sar h GLU 74 N 1.01 0.00 -7.15 2.90 5.08 -1.83 -3.43 114.58 111.16 1sar h GLU 74 Ca -0.40 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.44 1sar h GLU 74 Cb 1.31 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.67 1sar h GLU 74 CO 0.65 0.15 0.41 0.00 -1.00 0.00 0.00 179.01 179.21 1sar s ALA 75 N -3.89 2.43 0.20 3.43 0.00 -1.26 -4.96 121.76 117.71 1sar s ALA 75 Ca -0.01 0.77 -0.31 0.00 0.00 0.00 0.00 51.96 52.41 1sar s ALA 75 Cb 0.11 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 1sar s ALA 75 CO 0.59 -1.32 1.46 0.95 0.00 0.00 0.00 175.76 177.45 1sar s THR 76 N -2.01 2.76 -0.42 0.00 -4.23 -1.26 -1.90 115.64 108.58 1sar s THR 76 Ca 0.72 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 61.82 1sar s THR 76 Cb -0.25 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1sar s THR 76 CO 0.38 0.07 0.00 0.00 -0.54 0.00 0.00 174.62 174.54 1sar n GLN 77 N 3.03 -1.39 -2.80 3.99 1.13 -1.26 -4.86 117.38 115.22 1sar n GLN 77 Ca 0.09 0.54 -0.43 0.00 -1.94 0.00 0.00 57.00 55.26 1sar n GLN 77 Cb 0.40 -4.67 -0.01 0.00 0.11 0.00 0.00 30.24 26.06 1sar n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1sar s GLU 78 N -1.95 3.86 -0.06 -1.09 2.12 -0.80 -4.83 118.70 115.94 1sar s GLU 78 Ca 0.00 -2.00 0.01 0.00 0.36 0.00 0.00 54.97 53.34 1sar s GLU 78 Cb 0.00 -5.18 0.02 0.00 0.26 0.00 0.00 34.13 29.23 1sar s GLU 78 CO 0.00 -1.95 -0.09 -0.51 -0.54 0.00 0.00 175.26 172.18 1sar s ASP 79 N 3.70 1.52 -0.06 -1.70 1.01 -1.26 -0.44 116.67 119.44 1sar s ASP 79 Ca 0.43 -0.23 0.03 0.00 0.71 0.00 0.00 52.55 53.49 1sar s ASP 79 Cb -0.01 -0.68 -0.03 0.00 1.01 0.00 0.00 42.92 43.21 1sar s ASP 79 CO -0.02 -0.02 -0.13 -0.31 0.21 0.00 0.00 175.17 174.90 1sar s TYR 80 N 0.91 2.76 -0.12 4.23 2.02 0.30 -0.47 117.35 126.98 1sar s TYR 80 Ca -0.11 -0.13 -0.05 0.00 -0.37 0.00 0.00 57.07 56.42 1sar s TYR 80 Cb -0.15 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 1sar s TYR 80 CO 0.01 0.21 0.06 -0.47 -1.57 0.00 0.00 175.55 173.79 1sar s TYR 81 N -0.72 3.33 -0.07 2.71 5.04 0.16 -0.30 117.35 127.49 1sar s TYR 81 Ca 0.11 0.28 0.02 0.00 -2.44 0.00 0.00 57.07 55.04 1sar s TYR 81 Cb -0.11 -1.90 0.01 0.00 0.35 0.00 0.00 41.96 40.31 1sar s TYR 81 CO 0.01 0.49 -0.13 -0.08 -1.34 0.00 0.00 175.55 174.50 1sar s THR 82 N -0.67 1.20 -1.34 4.34 -1.32 -0.37 -0.74 115.64 116.75 1sar s THR 82 Ca 0.12 -0.51 0.12 0.00 -1.21 0.00 0.00 61.69 60.21 1sar s THR 82 Cb -0.12 -1.10 0.05 0.00 -1.51 0.00 0.00 72.50 69.82 1sar s THR 82 CO 0.02 0.37 0.80 0.61 -2.21 0.00 0.00 174.62 174.22 1sar n GLY 83 N 3.83 -0.14 2.27 6.08 0.00 -1.26 0.23 105.19 116.20 1sar n GLY 83 Ca -0.22 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 1sar n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sar n ASP 84 N 0.22 2.82 -3.28 1.61 5.68 -1.20 -4.38 116.55 118.02 1sar n ASP 84 Ca 0.06 -2.81 -0.16 0.00 -0.50 0.00 0.00 54.79 51.39 1sar n ASP 84 Cb 0.29 -0.42 0.08 0.00 -1.14 0.00 0.00 41.12 39.93 1sar n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1sar n HIS 85 N -0.59 -2.25 -1.25 2.11 -0.00 -0.31 -3.04 115.22 109.89 1sar n HIS 85 Ca 0.22 0.88 -0.09 0.00 -0.00 0.00 0.00 57.72 58.73 1sar n HIS 85 Cb 0.89 -4.58 -0.04 0.00 -0.00 0.00 0.00 29.99 26.26 1sar n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1sar n TYR 86 N -3.65 0.00 -0.02 1.57 4.01 -1.26 -4.90 117.16 112.91 1sar n TYR 86 Ca -0.18 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.39 1sar n TYR 86 Cb 0.64 -1.82 -0.14 0.00 -0.31 0.00 0.00 39.34 37.72 1sar n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sar h ALA 87 N 0.00 -0.03 -2.92 -0.72 0.00 -1.94 -3.47 119.26 110.18 1sar h ALA 87 Ca -0.18 -0.60 -0.41 0.00 0.00 0.00 0.00 54.91 53.71 1sar h ALA 87 Cb 0.65 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.31 1sar h ALA 87 CO 0.26 0.18 -0.76 0.95 0.00 0.00 0.00 179.25 179.88 1sar s THR 88 N -2.31 1.32 0.01 0.00 -4.23 -1.26 -5.04 115.64 104.12 1sar s THR 88 Ca -0.17 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 58.65 1sar s THR 88 Cb -0.01 -1.51 -0.01 0.00 1.34 0.00 0.00 72.50 72.31 1sar s THR 88 CO 0.75 -0.41 -0.04 -0.36 -0.54 0.00 0.00 174.62 174.02 1sar s PHE 89 N -2.10 0.33 0.05 3.99 0.08 -1.26 -4.32 117.98 114.75 1sar s PHE 89 Ca 0.08 -0.20 0.08 0.00 0.12 0.00 0.00 56.93 57.02 1sar s PHE 89 Cb -0.05 -0.21 -0.03 0.00 -0.57 0.00 0.00 43.02 42.16 1sar s PHE 89 CO 0.03 -0.04 -0.22 -1.12 -0.10 0.00 0.00 175.22 173.77 1sar s SER 90 N -0.53 2.60 -0.07 1.36 0.01 0.08 0.37 113.70 117.53 1sar s SER 90 Ca -0.03 -0.54 -0.28 0.00 1.31 0.00 0.00 55.95 56.41 1sar s SER 90 Cb -0.04 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 1sar s SER 90 CO -0.00 0.17 0.90 -0.22 0.41 0.00 0.00 173.24 174.50 1sar s LEU 91 N -1.23 4.29 -0.06 2.44 2.96 0.16 0.35 118.68 127.60 1sar s LEU 91 Ca 0.08 1.44 -0.25 0.00 -0.22 0.00 0.00 54.13 55.18 1sar s LEU 91 Cb -0.09 -3.40 -0.03 0.00 0.50 0.00 0.00 46.19 43.17 1sar s LEU 91 CO 0.02 -0.30 0.79 -0.63 -1.32 0.00 0.00 176.35 174.91 1sar s ILE 92 N 1.43 4.98 -0.40 6.68 1.01 0.38 0.20 121.20 135.48 1sar s ILE 92 Ca 0.45 1.63 -0.09 0.00 0.00 0.00 0.00 60.65 62.65 1sar s ILE 92 Cb -0.19 -4.13 0.07 0.00 0.01 0.00 0.00 42.46 38.22 1sar s ILE 92 CO 0.20 0.19 0.22 -0.62 0.00 0.00 0.00 174.94 174.94 1sar s ASP 93 N 0.91 5.57 0.00 3.58 -1.08 0.63 -4.73 116.67 121.54 1sar s ASP 93 Ca 0.41 -1.40 0.25 0.00 -0.52 0.00 0.00 52.55 51.29 1sar s ASP 93 Cb -0.18 -1.96 1.48 0.00 -1.46 0.00 0.00 42.92 40.79 1sar s ASP 93 CO 0.20 -0.48 1.84 0.00 0.52 0.00 0.00 175.17 177.25 1sar n GLN 94 N 4.89 0.78 0.00 4.34 6.02 -1.26 -0.89 117.38 131.26 1sar n GLN 94 Ca -0.10 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.00 1sar n GLN 94 Cb 0.44 -1.49 0.03 0.00 1.02 0.00 0.00 30.24 30.23 1sar n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1sar n THR 95 N -0.99 0.00 -0.89 5.09 -2.24 -1.26 -4.88 114.28 109.11 1sar n THR 95 Ca 0.19 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1sar n THR 95 Cb 0.08 1.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1sar n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50