#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sar s VAL 2 N 0.00 5.01 -1.36 2.53 1.01 -1.26 -4.63 120.40 121.71 2sar s VAL 2 Ca 0.00 1.56 0.11 0.00 0.00 0.00 0.00 61.98 63.65 2sar s VAL 2 Cb 0.00 -4.09 0.18 0.00 0.00 0.00 0.00 36.38 32.47 2sar s VAL 2 CO 0.00 0.23 1.28 -1.20 0.00 0.00 0.00 175.10 175.41 2sar n SER 3 N 3.82 0.00 0.00 3.32 7.64 0.21 -4.95 113.62 123.65 2sar n SER 3 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2sar n SER 3 Cb 0.51 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2sar n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2sar n GLY 4 N -0.33 0.71 3.64 0.23 0.00 -1.26 -5.03 105.19 103.14 2sar n GLY 4 Ca 0.05 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 2sar n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2sar s THR 5 N -1.34 3.72 -0.04 2.61 2.01 -1.26 -1.24 115.64 120.09 2sar s THR 5 Ca 0.00 -1.13 0.03 0.00 0.31 0.00 0.00 61.69 60.90 2sar s THR 5 Cb 0.00 -2.76 0.00 0.00 0.01 0.00 0.00 72.50 69.75 2sar s THR 5 CO 0.00 0.11 -0.14 0.54 -0.69 0.00 0.00 174.62 174.44 2sar s VAL 6 N -1.29 1.18 0.33 3.82 0.11 0.17 -4.91 120.40 119.81 2sar s VAL 6 Ca 0.24 -0.57 -0.29 0.00 -2.93 0.00 0.00 61.98 58.43 2sar s VAL 6 Cb -0.11 -1.03 -0.10 0.00 -1.53 0.00 0.00 36.38 33.60 2sar s VAL 6 CO 0.16 0.35 1.32 0.00 -3.33 0.00 0.00 175.10 173.61 2sar h LEU 8 N 3.50 0.56 -1.35 0.00 5.85 -0.97 -1.11 115.31 121.77 2sar h LEU 8 Ca -0.49 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 2sar h LEU 8 Cb 1.23 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2sar h LEU 8 CO 0.66 0.29 -0.32 0.77 -0.34 0.00 0.00 178.44 179.50 2sar h SER 9 N 0.59 0.00 1.37 1.25 4.64 -1.70 -2.50 113.55 117.20 2sar h SER 9 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2sar h SER 9 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2sar h SER 9 CO -0.16 0.32 -0.01 0.00 -0.87 0.00 0.00 176.83 176.10 2sar n ALA 10 N -2.44 2.31 -2.15 5.18 0.00 -0.43 -4.91 120.51 118.08 2sar n ALA 10 Ca -0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.12 2sar n ALA 10 Cb 0.38 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.39 2sar n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2sar s LEU 11 N -4.22 3.35 0.50 0.00 1.43 -0.94 -5.03 118.68 113.78 2sar s LEU 11 Ca 0.11 0.58 -0.22 0.00 -1.03 0.00 0.00 54.13 53.58 2sar s LEU 11 Cb 0.14 -3.43 -0.08 0.00 0.03 0.00 0.00 46.19 42.85 2sar s LEU 11 CO 0.59 -0.96 1.03 -2.65 0.23 0.00 0.00 176.35 174.58 2sar n PRO 12 N -2.43 1.24 0.14 1.29 -0.02 -1.26 -4.86 135.00 129.10 2sar n PRO 12 Ca 0.04 0.46 0.16 0.00 -2.02 0.00 0.00 63.50 62.14 2sar n PRO 12 Cb 0.58 -2.15 0.74 0.00 -0.02 0.00 0.00 33.50 32.64 2sar n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2sar h PRO 13 N 1.16 0.00 0.00 0.52 0.13 -1.95 -1.44 132.00 130.42 2sar h PRO 13 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2sar h PRO 13 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2sar h PRO 13 CO 0.55 0.00 -0.07 0.93 -0.23 0.00 0.00 178.00 179.18 2sar h GLU 14 N 0.00 0.00 -0.61 0.86 3.07 -1.89 -2.03 114.58 113.98 2sar h GLU 14 Ca 0.13 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 59.07 2sar h GLU 14 Cb 0.57 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.41 2sar h GLU 14 CO -0.00 0.07 0.26 0.00 -1.40 0.00 0.00 179.01 177.94 2sar h ALA 15 N 1.93 0.80 -0.53 3.43 0.00 -1.59 0.85 119.26 124.15 2sar h ALA 15 Ca -0.00 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2sar h ALA 15 Cb 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2sar h ALA 15 CO 0.01 -0.14 -0.01 1.15 0.00 0.00 0.00 179.25 180.26 2sar h THR 16 N 0.47 1.26 -0.54 0.00 2.02 -1.49 -1.48 112.91 113.14 2sar h THR 16 Ca 0.30 -1.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 2sar h THR 16 Cb 0.33 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2sar h THR 16 CO -0.27 0.39 0.15 0.44 0.37 0.00 0.00 175.52 176.60 2sar h ASP 17 N 0.84 0.80 -0.56 4.18 3.32 -1.27 -1.45 116.42 122.27 2sar h ASP 17 Ca 0.16 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 2sar h ASP 17 Cb 0.51 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2sar h ASP 17 CO 0.03 0.81 0.17 0.74 -1.72 0.00 0.00 179.24 179.26 2sar h THR 18 N 0.75 1.24 -0.83 0.35 2.02 -0.66 -0.73 112.91 115.06 2sar h THR 18 Ca 0.17 -0.81 0.07 0.00 0.77 0.00 0.00 66.41 66.61 2sar h THR 18 Cb 0.30 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 2sar h THR 18 CO -0.00 0.30 0.50 -0.07 0.37 0.00 0.00 175.52 176.62 2sar h LEU 19 N 0.78 0.76 -0.44 2.58 3.38 -1.06 0.15 115.31 121.46 2sar h LEU 19 Ca 0.18 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2sar h LEU 19 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2sar h LEU 19 CO -0.00 0.47 0.20 0.78 0.09 0.00 0.00 178.44 179.98 2sar h ASN 20 N 0.89 0.59 0.01 -0.43 2.35 -0.90 -1.68 115.58 116.40 2sar h ASN 20 Ca 0.37 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 2sar h ASN 20 Cb 0.23 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2sar h ASN 20 CO -0.20 0.57 -0.16 -0.07 -1.65 0.00 0.00 177.43 175.92 2sar h LEU 21 N 0.57 0.30 -0.24 1.61 3.38 -0.27 -2.95 115.31 117.71 2sar h LEU 21 Ca 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2sar h LEU 21 Cb 0.14 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2sar h LEU 21 CO -0.02 0.49 0.07 0.40 0.09 0.00 0.00 178.44 179.47 2sar h ILE 22 N 0.29 1.20 -0.64 1.22 2.04 -0.68 1.02 117.51 121.96 2sar h ILE 22 Ca 0.05 -0.64 0.09 0.00 1.00 0.00 0.00 64.86 65.36 2sar h ILE 22 Cb 0.46 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 2sar h ILE 22 CO 0.03 0.21 0.28 0.00 0.00 0.00 0.00 178.15 178.66 2sar h ALA 23 N 0.89 0.85 -0.01 1.87 0.00 -1.15 -1.74 119.26 119.97 2sar h ALA 23 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2sar h ALA 23 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2sar h ALA 23 CO -0.00 -0.13 -0.10 -1.13 0.00 0.00 0.00 179.25 177.89 2sar n SER 24 N -4.94 0.92 -3.20 0.00 3.41 -1.14 -4.91 113.62 103.77 2sar n SER 24 Ca 0.09 -1.02 -0.17 0.00 -0.26 0.00 0.00 58.87 57.51 2sar n SER 24 Cb 0.26 0.02 0.08 0.00 -0.26 0.00 0.00 64.21 64.31 2sar n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2sar n ASP 25 N -0.50 -3.15 0.00 4.04 2.03 -0.01 -4.77 116.55 114.20 2sar n ASP 25 Ca 0.16 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.94 2sar n ASP 25 Cb 0.31 -4.61 0.00 0.00 -0.72 0.00 0.00 41.12 36.10 2sar n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2sar n GLY 26 N -1.33 -1.83 3.77 0.27 0.00 0.33 -4.80 105.19 101.61 2sar n GLY 26 Ca -0.18 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 2sar n GLY 26 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2sar n PRO 27 N 0.00 2.56 -3.71 1.61 -0.02 -1.26 -4.95 135.00 129.22 2sar n PRO 27 Ca 0.00 0.90 -0.32 0.00 -2.02 0.00 0.00 63.50 62.06 2sar n PRO 27 Cb 0.00 -2.67 -0.05 0.00 -0.02 0.00 0.00 33.50 30.76 2sar n PRO 27 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2sar s PHE 28 N -1.14 3.51 0.16 6.00 0.08 -1.26 -5.01 117.98 120.32 2sar s PHE 28 Ca 0.56 0.55 -0.10 0.00 0.12 0.00 0.00 56.93 58.05 2sar s PHE 28 Cb -0.46 -1.99 0.01 0.00 -0.57 0.00 0.00 43.02 40.01 2sar s PHE 28 CO 0.62 0.50 1.56 -1.00 -0.10 0.00 0.00 175.22 176.80 2sar h PRO 29 N 3.19 1.01 -6.07 0.24 0.13 -1.98 -3.44 132.00 125.08 2sar h PRO 29 Ca -0.47 -0.41 -0.65 0.00 -0.87 0.00 0.00 66.00 63.60 2sar h PRO 29 Cb 1.17 -0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.15 2sar h PRO 29 CO 0.71 1.09 -0.59 0.71 -0.23 0.00 0.00 178.00 179.69 2sar s TYR 30 N -4.75 3.23 0.54 1.56 2.02 -1.26 -5.00 117.35 113.69 2sar s TYR 30 Ca -0.12 0.16 0.25 0.00 -0.37 0.00 0.00 57.07 56.99 2sar s TYR 30 Cb 0.12 -1.70 1.56 0.00 -0.40 0.00 0.00 41.96 41.54 2sar s TYR 30 CO 0.87 0.53 2.18 0.66 -1.57 0.00 0.00 175.55 178.22 2sar h SER 31 N 3.99 0.00 0.52 2.29 4.64 -2.05 -1.88 113.55 121.06 2sar h SER 31 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2sar h SER 31 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2sar h SER 31 CO 0.62 0.04 -0.06 0.00 -0.87 0.00 0.00 176.83 176.55 2sar n GLN 32 N -4.03 0.47 -2.28 4.77 1.13 -1.26 -4.88 117.38 111.30 2sar n GLN 32 Ca -0.03 -0.08 -0.42 0.00 -1.94 0.00 0.00 57.00 54.53 2sar n GLN 32 Cb 0.12 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.94 2sar n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2sar s ASP 33 N -2.59 6.93 0.00 1.08 1.01 -0.71 -3.37 116.67 119.02 2sar s ASP 33 Ca 0.27 2.15 0.00 0.00 0.71 0.00 0.00 52.55 55.68 2sar s ASP 33 Cb 0.20 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.55 2sar s ASP 33 CO 0.48 -0.60 0.00 0.61 0.21 0.00 0.00 175.17 175.87 2sar n GLY 34 N 3.42 0.69 3.87 0.21 0.00 0.28 -5.00 105.19 108.66 2sar n GLY 34 Ca 0.11 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 2sar n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2sar s VAL 35 N -2.00 4.71 0.31 1.61 -7.23 -1.19 -4.66 120.40 111.95 2sar s VAL 35 Ca 0.00 0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 60.68 2sar s VAL 35 Cb 0.00 -3.78 -0.10 0.00 0.56 0.00 0.00 36.38 33.05 2sar s VAL 35 CO 0.00 -0.78 1.35 -0.69 -0.31 0.00 0.00 175.10 174.67 2sar s VAL 36 N -2.71 2.68 -0.31 1.32 1.01 -1.26 0.14 120.40 121.27 2sar s VAL 36 Ca 0.54 0.65 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 2sar s VAL 36 Cb -0.10 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2sar s VAL 36 CO 0.39 0.14 0.39 0.12 0.00 0.00 0.00 175.10 176.14 2sar s PHE 37 N -0.82 3.22 -0.25 5.22 5.36 0.03 -4.71 117.98 126.03 2sar s PHE 37 Ca 0.52 0.21 0.28 0.00 -0.96 0.00 0.00 56.93 56.98 2sar s PHE 37 Cb -0.41 -2.66 0.90 0.00 -0.34 0.00 0.00 43.02 40.51 2sar s PHE 37 CO 0.51 -0.35 1.80 1.96 -1.46 0.00 0.00 175.22 177.67 2sar h GLN 38 N 8.33 0.00 -4.47 10.12 4.20 -1.94 -3.40 115.11 127.94 2sar h GLN 38 Ca -0.30 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.05 2sar h GLN 38 Cb 1.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 2sar h GLN 38 CO 0.68 0.00 -0.50 -1.71 -0.67 0.00 0.00 178.83 176.63 2sar n ASN 39 N -2.90 -4.70 -0.35 1.46 5.15 -1.26 -4.83 115.26 107.84 2sar n ASN 39 Ca 0.03 -0.16 0.17 0.00 -0.60 0.00 0.00 54.58 54.02 2sar n ASN 39 Cb 0.39 -3.88 0.38 0.00 -0.53 0.00 0.00 39.78 36.14 2sar n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2sar h ARG 40 N -0.73 0.57 -0.63 1.20 3.08 -1.98 -0.41 114.38 115.48 2sar h ARG 40 Ca -0.43 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 2sar h ARG 40 Cb 1.30 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2sar h ARG 40 CO 0.50 0.38 0.02 -0.85 -1.07 0.00 0.00 179.97 178.94 2sar n GLU 41 N -4.88 4.48 -4.31 0.04 0.00 -1.26 -4.94 120.64 109.77 2sar n GLU 41 Ca 0.27 -2.85 -0.34 0.00 0.00 0.00 0.00 57.16 54.23 2sar n GLU 41 Cb 0.73 -2.20 -0.07 0.00 0.00 0.00 0.00 31.44 29.91 2sar n GLU 41 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2sar n SER 42 N 0.53 -0.80 0.03 -1.84 7.64 -0.16 -4.85 113.62 114.16 2sar n SER 42 Ca 0.26 -1.18 -0.16 0.00 1.01 0.00 0.00 58.87 58.80 2sar n SER 42 Cb 1.12 -2.05 -0.06 0.00 -1.01 0.00 0.00 64.21 62.21 2sar n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2sar h VAL 43 N -1.49 1.32 -2.70 0.44 2.07 -1.92 -3.39 116.25 110.57 2sar h VAL 43 Ca -0.63 -2.18 -0.48 0.00 0.82 0.00 0.00 66.70 64.23 2sar h VAL 43 Cb 1.39 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 2sar h VAL 43 CO 0.76 0.67 -0.25 -0.76 0.02 0.00 0.00 177.57 178.01 2sar s LEU 44 N -8.11 4.10 0.17 2.57 1.43 -1.26 -0.54 118.68 117.04 2sar s LEU 44 Ca -0.09 0.38 -0.33 0.00 -1.03 0.00 0.00 54.13 53.07 2sar s LEU 44 Cb 0.08 -3.22 -0.16 0.00 0.03 0.00 0.00 46.19 42.93 2sar s LEU 44 CO 0.89 -0.22 1.20 -2.65 0.23 0.00 0.00 176.35 175.80 2sar n PRO 45 N -1.55 1.24 -1.81 1.29 -0.02 -1.26 -4.89 135.00 128.00 2sar n PRO 45 Ca -0.05 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 2sar n PRO 45 Cb 0.56 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 2sar n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2sar s THR 46 N -0.13 2.24 0.12 3.45 2.01 -1.26 -5.00 115.64 117.07 2sar s THR 46 Ca 0.74 0.18 -0.06 0.00 0.31 0.00 0.00 61.69 62.85 2sar s THR 46 Cb -0.84 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 2sar s THR 46 CO 0.51 0.02 0.17 -1.10 -0.69 0.00 0.00 174.62 173.53 2sar s GLN 47 N 0.94 0.93 0.78 4.92 -1.52 -1.26 -5.15 119.66 119.31 2sar s GLN 47 Ca 0.72 -1.16 -0.14 0.00 -1.95 0.00 0.00 55.36 52.82 2sar s GLN 47 Cb -0.47 0.32 0.07 0.00 -0.22 0.00 0.00 33.01 32.70 2sar s GLN 47 CO 0.34 -0.30 1.22 -1.12 -0.25 0.00 0.00 175.29 175.18 2sar s SER 48 N -2.94 3.75 0.17 5.90 0.01 -1.26 -4.92 113.70 114.41 2sar s SER 48 Ca 0.13 2.41 -0.32 0.00 1.31 0.00 0.00 55.95 59.49 2sar s SER 48 Cb 0.05 -2.59 -0.11 0.00 0.21 0.00 0.00 66.02 63.57 2sar s SER 48 CO -0.05 -2.56 1.78 0.00 0.41 0.00 0.00 173.24 172.82 2sar n TYR 49 N -3.07 2.69 0.00 2.43 4.19 -1.26 -2.43 117.16 119.71 2sar n TYR 49 Ca 0.14 -0.05 0.00 0.00 3.31 0.00 0.00 57.90 61.30 2sar n TYR 49 Cb 0.50 -2.70 0.00 0.00 0.49 0.00 0.00 39.34 37.63 2sar n TYR 49 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2sar n GLY 50 N 4.09 0.59 0.23 2.98 0.00 -1.26 -4.97 105.19 106.85 2sar n GLY 50 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 2sar n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2sar h TYR 51 N 0.00 0.74 -3.17 1.61 5.03 -1.81 -3.45 116.97 115.93 2sar h TYR 51 Ca 0.00 -0.22 -0.67 0.00 2.58 0.00 0.00 58.73 60.42 2sar h TYR 51 Cb 0.00 -0.16 -0.12 0.00 1.55 0.00 0.00 36.73 38.00 2sar h TYR 51 CO 0.00 0.93 -0.59 0.71 -1.32 0.00 0.00 178.16 177.89 2sar s TYR 52 N -4.25 3.25 0.05 -3.82 2.02 -1.26 -2.78 117.35 110.56 2sar s TYR 52 Ca -0.08 0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.88 2sar s TYR 52 Cb 0.12 -1.78 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 2sar s TYR 52 CO 0.83 0.53 -0.08 -1.01 -1.57 0.00 0.00 175.55 174.25 2sar s HIS 53 N -1.01 0.74 0.12 2.71 3.76 -0.94 -0.79 115.29 119.87 2sar s HIS 53 Ca 0.17 -0.50 0.10 0.00 -0.15 0.00 0.00 55.06 54.67 2sar s HIS 53 Cb -0.12 -0.44 -0.04 0.00 1.11 0.00 0.00 32.58 33.10 2sar s HIS 53 CO 0.07 -0.07 -0.25 -1.83 -0.85 0.00 0.00 174.74 171.81 2sar s GLU 54 N -1.64 1.29 0.00 1.40 -1.05 0.38 -0.87 118.70 118.22 2sar s GLU 54 Ca -0.09 -1.27 0.02 0.00 -0.15 0.00 0.00 54.97 53.48 2sar s GLU 54 Cb -0.10 -1.69 -0.01 0.00 -0.44 0.00 0.00 34.13 31.89 2sar s GLU 54 CO 0.01 0.40 -0.07 0.71 0.95 0.00 0.00 175.26 177.26 2sar s TYR 55 N -1.10 0.58 0.31 4.83 1.51 -0.09 0.98 117.35 124.38 2sar s TYR 55 Ca 0.11 -0.16 -0.28 0.00 -1.01 0.00 0.00 57.07 55.73 2sar s TYR 55 Cb -0.10 -0.37 -0.09 0.00 -0.11 0.00 0.00 41.96 41.28 2sar s TYR 55 CO 0.05 -0.02 1.11 0.99 -1.11 0.00 0.00 175.55 176.58 2sar s THR 56 N -0.31 3.43 -0.38 -0.71 2.01 -1.26 -0.86 115.64 117.56 2sar s THR 56 Ca 0.01 1.38 -0.08 0.00 0.31 0.00 0.00 61.69 63.30 2sar s THR 56 Cb -0.03 -3.85 0.06 0.00 0.01 0.00 0.00 72.50 68.69 2sar s THR 56 CO -0.00 0.28 0.19 -0.69 -0.69 0.00 0.00 174.62 173.71 2sar s VAL 57 N -1.25 4.08 0.37 3.82 1.01 -0.86 -4.79 120.40 122.78 2sar s VAL 57 Ca 0.48 -1.25 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 2sar s VAL 57 Cb -0.31 -3.41 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 2sar s VAL 57 CO 0.40 -0.36 1.39 -0.63 0.00 0.00 0.00 175.10 175.90 2sar s ILE 58 N 1.42 2.38 -0.39 2.22 1.01 -1.26 -4.32 121.20 122.26 2sar s ILE 58 Ca 0.01 0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.97 2sar s ILE 58 Cb -0.21 -3.23 0.07 0.00 0.01 0.00 0.00 42.46 39.10 2sar s ILE 58 CO 0.03 0.08 0.19 -0.89 0.00 0.00 0.00 174.94 174.35 2sar s THR 59 N -1.15 3.86 0.20 2.92 2.01 -1.26 -4.74 115.64 117.48 2sar s THR 59 Ca 0.52 -1.44 -0.33 0.00 0.31 0.00 0.00 61.69 60.76 2sar s THR 59 Cb -0.43 -3.35 -0.13 0.00 0.01 0.00 0.00 72.50 68.60 2sar s THR 59 CO 0.57 -0.42 1.54 -2.65 -0.69 0.00 0.00 174.62 172.97 2sar n PRO 60 N 4.81 2.21 0.00 4.92 -0.02 -1.26 -1.75 135.00 143.91 2sar n PRO 60 Ca -0.10 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2sar n PRO 60 Cb 0.43 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2sar n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2sar n GLY 61 N 2.96 2.26 3.85 -1.23 0.00 -1.26 -5.06 105.19 106.71 2sar n GLY 61 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2sar n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2sar s ALA 62 N -2.28 3.03 -1.19 4.61 0.00 -0.72 -4.96 121.76 120.24 2sar s ALA 62 Ca 0.00 0.10 0.24 0.00 0.00 0.00 0.00 51.96 52.30 2sar s ALA 62 Cb 0.00 -3.12 0.38 0.00 0.00 0.00 0.00 23.12 20.38 2sar s ALA 62 CO 0.00 -0.51 1.32 2.89 0.00 0.00 0.00 175.76 179.46 2sar n ARG 63 N -2.13 0.22 -3.47 0.00 1.85 -1.26 -4.93 116.66 106.94 2sar n ARG 63 Ca 0.07 -0.14 -0.18 0.00 -1.00 0.00 0.00 57.85 56.59 2sar n ARG 63 Cb 0.54 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.41 2sar n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2sar n THR 64 N -1.27 0.00 0.29 8.89 -2.24 -1.26 -5.01 114.28 113.68 2sar n THR 64 Ca 0.07 -1.32 0.12 0.00 -2.27 0.00 0.00 64.05 60.64 2sar n THR 64 Cb 0.34 0.26 0.54 0.00 -2.10 0.00 0.00 70.33 69.38 2sar n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2sar n ARG 65 N -0.69 0.17 0.00 -0.78 1.74 -1.26 -4.83 116.66 111.01 2sar n ARG 65 Ca -0.12 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 2sar n ARG 65 Cb 0.35 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 2sar n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2sar n GLY 66 N -0.59 0.03 0.15 -0.13 0.00 -1.26 -4.57 105.19 98.82 2sar n GLY 66 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 45.08 2sar n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2sar n THR 67 N 0.00 0.21 -3.47 2.61 -2.24 -1.26 -4.95 114.28 105.17 2sar n THR 67 Ca 0.00 -0.60 -0.37 0.00 -2.27 0.00 0.00 64.05 60.80 2sar n THR 67 Cb 0.00 0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 69.13 2sar n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2sar s ARG 68 N -0.44 3.94 0.06 -0.78 0.52 -1.26 -1.04 118.95 119.95 2sar s ARG 68 Ca 0.05 0.43 -0.17 0.00 -0.52 0.00 0.00 55.73 55.52 2sar s ARG 68 Cb 0.03 -3.17 0.03 0.00 0.52 0.00 0.00 34.95 32.36 2sar s ARG 68 CO 0.05 0.65 0.39 1.03 0.02 0.00 0.00 175.30 177.44 2sar s ARG 69 N -1.26 0.93 -0.07 3.54 1.81 0.11 -2.03 118.95 121.97 2sar s ARG 69 Ca 0.27 -0.46 0.05 0.00 -1.72 0.00 0.00 55.73 53.87 2sar s ARG 69 Cb -0.17 0.41 -0.00 0.00 -0.45 0.00 0.00 34.95 34.74 2sar s ARG 69 CO 0.15 -0.33 -0.23 0.42 -0.68 0.00 0.00 175.30 174.63 2sar s ILE 70 N -2.77 1.95 -0.17 1.52 1.01 -0.04 -1.16 121.20 121.54 2sar s ILE 70 Ca -0.03 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 2sar s ILE 70 Cb -0.00 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 2sar s ILE 70 CO -0.05 0.54 -0.07 -0.63 0.00 0.00 0.00 174.94 174.74 2sar s ILE 71 N 0.12 3.47 0.11 2.92 -1.09 0.14 -0.91 121.20 125.95 2sar s ILE 71 Ca -0.11 -0.49 0.03 0.00 -2.23 0.00 0.00 60.65 57.85 2sar s ILE 71 Cb -0.15 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.16 2sar s ILE 71 CO 0.06 0.48 0.13 0.00 -1.23 0.00 0.00 174.94 174.38 2sar s GLY 73 N -2.70 2.49 0.46 0.00 0.00 0.06 -2.20 107.32 105.42 2sar s GLY 73 Ca 0.31 -1.42 0.29 0.00 0.00 0.00 0.00 44.72 43.90 2sar s GLY 73 CO 0.24 -1.98 1.84 0.83 0.00 0.00 0.00 173.10 174.04 2sar h GLU 74 N 1.14 0.00 -7.39 2.90 5.08 -1.82 -3.44 114.58 111.05 2sar h GLU 74 Ca -0.41 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.50 2sar h GLU 74 Cb 1.28 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.69 2sar h GLU 74 CO 0.66 0.00 0.21 0.00 -1.00 0.00 0.00 179.01 178.88 2sar s ALA 75 N -3.47 1.05 0.12 3.43 0.00 -1.26 -4.98 121.76 116.65 2sar s ALA 75 Ca 0.04 -0.45 -0.31 0.00 0.00 0.00 0.00 51.96 51.24 2sar s ALA 75 Cb 0.08 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 20.04 2sar s ALA 75 CO 0.55 -2.80 1.38 0.95 0.00 0.00 0.00 175.76 175.84 2sar s THR 76 N -3.04 3.32 0.00 0.00 -4.23 -1.26 -2.91 115.64 107.52 2sar s THR 76 Ca 0.65 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 62.12 2sar s THR 76 Cb -0.17 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.06 2sar s THR 76 CO 0.57 0.08 0.00 0.00 -0.54 0.00 0.00 174.62 174.72 2sar n GLN 77 N 3.89 -1.29 -2.57 3.99 1.13 -1.26 -4.88 117.38 116.39 2sar n GLN 77 Ca 0.11 0.32 -0.42 0.00 -1.94 0.00 0.00 57.00 55.08 2sar n GLN 77 Cb 0.42 -4.36 -0.01 0.00 0.11 0.00 0.00 30.24 26.40 2sar n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2sar s GLU 78 N -1.34 3.79 -0.07 -1.09 2.12 -1.14 -4.81 118.70 116.16 2sar s GLU 78 Ca 0.00 -1.59 0.02 0.00 0.36 0.00 0.00 54.97 53.76 2sar s GLU 78 Cb 0.00 -5.45 0.02 0.00 0.26 0.00 0.00 34.13 28.95 2sar s GLU 78 CO 0.00 -2.25 -0.10 -0.51 -0.54 0.00 0.00 175.26 171.86 2sar s ASP 79 N 4.60 1.65 0.03 -1.70 1.01 -1.26 -0.76 116.67 120.24 2sar s ASP 79 Ca 0.51 -0.26 0.04 0.00 0.71 0.00 0.00 52.55 53.54 2sar s ASP 79 Cb 0.02 -0.75 -0.04 0.00 1.01 0.00 0.00 42.92 43.17 2sar s ASP 79 CO -0.00 -0.01 -0.06 -0.31 0.21 0.00 0.00 175.17 175.00 2sar s TYR 80 N 0.87 2.88 -0.04 4.23 2.02 0.22 -0.63 117.35 126.90 2sar s TYR 80 Ca -0.11 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.56 2sar s TYR 80 Cb -0.15 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 2sar s TYR 80 CO 0.01 0.40 -0.08 -0.47 -1.57 0.00 0.00 175.55 173.84 2sar s TYR 81 N -1.08 2.89 -0.05 2.71 5.04 0.87 -0.68 117.35 127.06 2sar s TYR 81 Ca 0.19 -0.02 0.02 0.00 -2.44 0.00 0.00 57.07 54.82 2sar s TYR 81 Cb -0.11 -1.67 0.02 0.00 0.35 0.00 0.00 41.96 40.55 2sar s TYR 81 CO 0.10 0.33 -0.09 -0.08 -1.34 0.00 0.00 175.55 174.47 2sar s THR 82 N -0.86 0.84 -1.29 4.34 -1.32 -0.31 -1.24 115.64 115.80 2sar s THR 82 Ca 0.14 -0.32 0.11 0.00 -1.21 0.00 0.00 61.69 60.41 2sar s THR 82 Cb -0.11 -0.80 0.14 0.00 -1.51 0.00 0.00 72.50 70.23 2sar s THR 82 CO 0.03 0.29 0.96 0.61 -2.21 0.00 0.00 174.62 174.30 2sar n GLY 83 N 3.82 0.45 0.77 6.08 0.00 -1.26 0.08 105.19 115.13 2sar n GLY 83 Ca -0.23 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.50 2sar n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2sar n ASP 84 N 0.61 1.55 -3.10 1.61 5.68 -1.22 -4.41 116.55 117.27 2sar n ASP 84 Ca 0.08 -3.39 -0.14 0.00 -0.50 0.00 0.00 54.79 50.84 2sar n ASP 84 Cb 0.32 -0.46 0.07 0.00 -1.14 0.00 0.00 41.12 39.91 2sar n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 2sar n HIS 85 N -0.75 -1.99 -1.60 2.11 -0.00 -0.21 -3.41 115.22 109.37 2sar n HIS 85 Ca 0.15 0.80 -0.13 0.00 -0.00 0.00 0.00 57.72 58.55 2sar n HIS 85 Cb 0.79 -4.48 -0.04 0.00 -0.00 0.00 0.00 29.99 26.25 2sar n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2sar n TYR 86 N -3.53 -0.16 0.04 1.57 4.01 -1.26 -4.91 117.16 112.92 2sar n TYR 86 Ca -0.20 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.33 2sar n TYR 86 Cb 0.64 -2.49 -0.14 0.00 -0.31 0.00 0.00 39.34 37.03 2sar n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2sar h ALA 87 N 0.16 -0.01 -2.86 -0.72 0.00 -1.97 -3.47 119.26 110.39 2sar h ALA 87 Ca -0.28 -0.83 -0.38 0.00 0.00 0.00 0.00 54.91 53.42 2sar h ALA 87 Cb 0.95 0.23 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 2sar h ALA 87 CO 0.39 0.54 -0.75 0.95 0.00 0.00 0.00 179.25 180.38 2sar s THR 88 N -2.46 1.17 0.02 0.00 -4.23 -1.26 -5.05 115.64 103.83 2sar s THR 88 Ca -0.15 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 58.70 2sar s THR 88 Cb 0.02 -1.44 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 2sar s THR 88 CO 0.82 -0.46 -0.05 -0.36 -0.54 0.00 0.00 174.62 174.03 2sar s PHE 89 N -2.20 0.39 -0.01 3.99 0.40 -1.26 -4.39 117.98 114.90 2sar s PHE 89 Ca 0.07 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 56.01 2sar s PHE 89 Cb -0.04 -0.25 -0.01 0.00 0.51 0.00 0.00 43.02 43.23 2sar s PHE 89 CO 0.02 -0.12 -0.10 -1.12 0.70 0.00 0.00 175.22 174.60 2sar s SER 90 N -1.23 1.23 -0.03 1.36 0.01 -0.37 -0.62 113.70 114.04 2sar s SER 90 Ca -0.11 -0.20 -0.29 0.00 1.31 0.00 0.00 55.95 56.67 2sar s SER 90 Cb -0.08 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2sar s SER 90 CO -0.00 0.12 0.94 -0.22 0.41 0.00 0.00 173.24 174.49 2sar s LEU 91 N -0.27 4.34 -0.03 2.44 2.96 -0.38 -0.09 118.68 127.65 2sar s LEU 91 Ca 0.04 1.56 -0.28 0.00 -0.22 0.00 0.00 54.13 55.23 2sar s LEU 91 Cb -0.04 -3.49 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 2sar s LEU 91 CO -0.00 -0.27 0.91 -0.63 -1.32 0.00 0.00 176.35 175.03 2sar s ILE 92 N 1.16 4.91 -0.44 6.68 1.01 0.20 -0.66 121.20 134.05 2sar s ILE 92 Ca 0.49 1.89 -0.11 0.00 0.00 0.00 0.00 60.65 62.92 2sar s ILE 92 Cb -0.20 -4.24 0.08 0.00 0.01 0.00 0.00 42.46 38.11 2sar s ILE 92 CO 0.25 0.16 0.31 -0.62 0.00 0.00 0.00 174.94 175.04 2sar s ASP 93 N 0.97 5.81 0.00 3.58 -1.08 -0.45 -4.71 116.67 120.78 2sar s ASP 93 Ca 0.47 -1.49 0.22 0.00 -0.52 0.00 0.00 52.55 51.23 2sar s ASP 93 Cb -0.20 -2.05 1.29 0.00 -1.46 0.00 0.00 42.92 40.50 2sar s ASP 93 CO 0.24 -0.59 1.73 0.00 0.52 0.00 0.00 175.17 177.07 2sar n GLN 94 N 5.01 0.84 -0.05 4.34 6.02 -1.26 -1.35 117.38 130.94 2sar n GLN 94 Ca -0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.00 2sar n GLN 94 Cb 0.43 -1.40 0.14 0.00 1.02 0.00 0.00 30.24 30.43 2sar n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2sar n THR 95 N -0.90 0.12 -0.99 5.09 -2.24 -1.26 -4.89 114.28 109.21 2sar n THR 95 Ca 0.16 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2sar n THR 95 Cb 0.07 1.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 2sar n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50