#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i70 s VAL 2 N 0.00 4.14 -1.55 2.53 1.01 -1.26 -4.70 120.40 120.57 1i70 s VAL 2 Ca 0.00 2.00 0.29 0.00 0.00 0.00 0.00 61.98 64.27 1i70 s VAL 2 Cb 0.00 -4.28 0.48 0.00 0.00 0.00 0.00 36.38 32.58 1i70 s VAL 2 CO 0.00 0.50 1.93 -1.54 0.00 0.00 0.00 175.10 175.99 1i70 n SER 3 N 1.51 0.29 0.00 3.32 3.41 0.66 -4.98 113.62 117.82 1i70 n SER 3 Ca -0.03 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 1i70 n SER 3 Cb 0.47 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1i70 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i70 n GLY 4 N 1.28 0.20 3.69 5.00 0.00 -1.26 -5.03 105.19 109.07 1i70 n GLY 4 Ca 0.14 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1i70 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i70 s THR 5 N -2.51 4.04 -0.02 2.61 2.01 -1.26 -1.23 115.64 119.28 1i70 s THR 5 Ca 0.00 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 60.99 1i70 s THR 5 Cb 0.00 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.58 1i70 s THR 5 CO 0.00 0.09 -0.04 0.54 -0.69 0.00 0.00 174.62 174.52 1i70 s VAL 6 N -1.37 0.39 0.51 3.82 0.11 0.23 -4.88 120.40 119.20 1i70 s VAL 6 Ca 0.26 -0.13 -0.21 0.00 -2.93 0.00 0.00 61.98 58.97 1i70 s VAL 6 Cb -0.11 -0.38 -0.06 0.00 -1.53 0.00 0.00 36.38 34.29 1i70 s VAL 6 CO 0.19 0.15 1.18 0.00 -3.33 0.00 0.00 175.10 173.28 1i70 h LEU 8 N 1.61 0.09 -0.46 0.00 5.85 -0.91 -1.66 115.31 119.83 1i70 h LEU 8 Ca -0.50 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1i70 h LEU 8 Cb 1.26 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1i70 h LEU 8 CO 0.58 0.32 0.00 -1.54 -0.34 0.00 0.00 178.44 177.46 1i70 n SER 9 N -4.24 0.76 0.09 1.25 3.41 -0.85 -1.97 113.62 112.06 1i70 n SER 9 Ca -0.02 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 1i70 n SER 9 Cb 0.30 -0.82 0.18 0.00 -0.26 0.00 0.00 64.21 63.62 1i70 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i70 h ALA 10 N 2.35 0.69 -2.24 7.33 0.00 -1.59 -3.47 119.26 122.33 1i70 h ALA 10 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1i70 h ALA 10 Cb 0.51 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.37 1i70 h ALA 10 CO 0.00 0.00 0.18 -0.51 0.00 0.00 0.00 179.25 178.92 1i70 s LEU 11 N -4.70 3.02 0.60 0.00 1.43 -0.83 -5.03 118.68 113.16 1i70 s LEU 11 Ca 0.06 0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 53.45 1i70 s LEU 11 Cb 0.12 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 1i70 s LEU 11 CO 0.71 -1.36 1.10 -2.65 0.23 0.00 0.00 176.35 174.37 1i70 n PRO 12 N -2.73 1.06 0.27 1.29 -0.02 -1.26 -4.83 135.00 128.77 1i70 n PRO 12 Ca 0.07 0.41 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 1i70 n PRO 12 Cb 0.59 -2.31 0.76 0.00 -0.02 0.00 0.00 33.50 32.53 1i70 n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1i70 h PRO 13 N 0.64 0.00 0.00 0.52 0.13 -1.95 -1.21 132.00 130.13 1i70 h PRO 13 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1i70 h PRO 13 Cb 1.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 1i70 h PRO 13 CO 0.52 0.02 -0.16 0.93 -0.23 0.00 0.00 178.00 179.09 1i70 h GLU 14 N 0.00 0.00 -0.48 0.86 3.07 -1.88 -2.02 114.58 114.12 1i70 h GLU 14 Ca -0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1i70 h GLU 14 Cb 0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1i70 h GLU 14 CO 0.00 0.16 0.18 0.00 -1.40 0.00 0.00 179.01 177.94 1i70 h ALA 15 N 1.84 1.40 -0.35 3.43 0.00 -1.55 -0.85 119.26 123.18 1i70 h ALA 15 Ca -0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1i70 h ALA 15 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1i70 h ALA 15 CO 0.02 0.45 -0.25 1.15 0.00 0.00 0.00 179.25 180.62 1i70 h THR 16 N 0.69 1.27 -0.39 0.00 2.02 -1.51 -1.09 112.91 113.90 1i70 h THR 16 Ca 0.17 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 66.00 1i70 h THR 16 Cb 0.17 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1i70 h THR 16 CO -0.01 0.44 0.25 0.44 0.37 0.00 0.00 175.52 177.01 1i70 h ASP 17 N 0.62 0.45 -0.51 4.18 3.32 -1.30 -1.26 116.42 121.91 1i70 h ASP 17 Ca 0.08 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1i70 h ASP 17 Cb 0.74 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1i70 h ASP 17 CO 0.06 0.34 0.15 0.74 -1.72 0.00 0.00 179.24 178.80 1i70 h THR 18 N 0.52 1.23 -0.67 0.35 2.02 -0.91 -1.67 112.91 113.78 1i70 h THR 18 Ca 0.14 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1i70 h THR 18 Cb -0.05 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1i70 h THR 18 CO -0.03 0.29 0.39 -0.07 0.37 0.00 0.00 175.52 176.47 1i70 h LEU 19 N 0.69 0.81 -1.12 2.58 3.38 -0.89 0.35 115.31 121.11 1i70 h LEU 19 Ca 0.16 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1i70 h LEU 19 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1i70 h LEU 19 CO -0.00 0.64 -0.32 0.78 0.09 0.00 0.00 178.44 179.62 1i70 h ASN 20 N 0.93 0.20 0.21 -0.43 2.35 -0.91 -2.10 115.58 115.83 1i70 h ASN 20 Ca 0.24 -0.07 -0.18 0.00 -0.55 0.00 0.00 56.30 55.74 1i70 h ASN 20 Cb -0.01 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1i70 h ASN 20 CO -0.04 0.52 -0.72 -0.07 -1.65 0.00 0.00 177.43 175.47 1i70 h LEU 21 N 0.17 0.53 -0.79 1.61 3.38 -0.54 -2.45 115.31 117.22 1i70 h LEU 21 Ca 0.02 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1i70 h LEU 21 Cb 0.66 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1i70 h LEU 21 CO 0.05 1.08 0.37 0.40 0.09 0.00 0.00 178.44 180.43 1i70 h ILE 22 N 0.31 1.25 -0.69 1.22 2.04 -0.75 0.12 117.51 121.01 1i70 h ILE 22 Ca -0.03 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 1i70 h ILE 22 Cb 1.29 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1i70 h ILE 22 CO 0.13 0.30 0.32 0.00 0.00 0.00 0.00 178.15 178.90 1i70 h ALA 23 N 1.19 1.27 -0.01 1.87 0.00 -1.18 -2.05 119.26 120.35 1i70 h ALA 23 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1i70 h ALA 23 Cb 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1i70 h ALA 23 CO -0.03 0.56 -0.09 -1.13 0.00 0.00 0.00 179.25 178.55 1i70 n SER 24 N -4.33 1.30 -3.58 0.00 3.41 -0.94 -4.94 113.62 104.54 1i70 n SER 24 Ca 0.06 -1.26 -0.22 0.00 -0.26 0.00 0.00 58.87 57.20 1i70 n SER 24 Cb 0.14 0.05 0.07 0.00 -0.26 0.00 0.00 64.21 64.21 1i70 n SER 24 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1i70 n ASP 25 N -0.15 -3.96 0.00 4.04 9.92 -0.12 -4.74 116.55 121.54 1i70 n ASP 25 Ca 0.16 -0.63 0.00 0.00 -0.53 0.00 0.00 54.79 53.80 1i70 n ASP 25 Cb 0.35 -4.85 0.00 0.00 -0.64 0.00 0.00 41.12 35.98 1i70 n ASP 25 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i70 n GLY 26 N -1.59 -1.37 3.77 0.44 0.00 0.23 -4.79 105.19 101.88 1i70 n GLY 26 Ca -0.14 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 1i70 n GLY 26 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1i70 s PRO 27 N 0.00 3.86 0.28 1.61 0.02 -1.26 -4.97 135.00 134.54 1i70 s PRO 27 Ca 0.00 2.39 0.04 0.00 0.02 0.00 0.00 61.00 63.44 1i70 s PRO 27 Cb 0.00 -2.76 -0.03 0.00 0.02 0.00 0.00 34.50 31.73 1i70 s PRO 27 CO 0.00 -0.67 0.43 -0.06 -0.33 0.00 0.00 177.00 176.37 1i70 s PHE 28 N -1.20 3.44 0.18 6.54 0.08 -1.26 -5.03 117.98 120.74 1i70 s PHE 28 Ca 0.58 0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.72 1i70 s PHE 28 Cb -0.43 -1.71 0.06 0.00 -0.57 0.00 0.00 43.02 40.37 1i70 s PHE 28 CO 0.56 0.30 1.43 -1.00 -0.10 0.00 0.00 175.22 176.41 1i70 h PRO 29 N 1.01 0.32 -6.41 0.24 0.13 -1.98 -3.45 132.00 121.85 1i70 h PRO 29 Ca -0.51 -0.28 -0.68 0.00 -0.87 0.00 0.00 66.00 63.66 1i70 h PRO 29 Cb 1.23 0.07 -0.19 0.00 0.13 0.00 0.00 31.00 32.23 1i70 h PRO 29 CO 0.61 0.94 -0.75 0.71 -0.23 0.00 0.00 178.00 179.28 1i70 s TYR 30 N -3.50 2.74 -0.05 1.56 2.02 -1.26 -5.01 117.35 113.86 1i70 s TYR 30 Ca -0.05 -0.14 0.31 0.00 -0.37 0.00 0.00 57.07 56.83 1i70 s TYR 30 Cb 0.10 -1.55 1.16 0.00 -0.40 0.00 0.00 41.96 41.28 1i70 s TYR 30 CO 0.83 0.31 1.90 0.66 -1.57 0.00 0.00 175.55 177.68 1i70 h SER 31 N 4.55 0.00 0.46 2.29 4.64 -2.05 -1.65 113.55 121.79 1i70 h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1i70 h SER 31 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1i70 h SER 31 CO 0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 176.45 1i70 n GLN 32 N -3.02 0.55 -1.89 4.77 1.13 -1.26 -4.84 117.38 112.82 1i70 n GLN 32 Ca 0.01 -0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.61 1i70 n GLN 32 Cb 0.34 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 1i70 n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1i70 s ASP 33 N -2.48 6.54 0.00 1.08 1.01 -0.62 -2.93 116.67 119.27 1i70 s ASP 33 Ca 0.31 2.66 0.00 0.00 0.71 0.00 0.00 52.55 56.23 1i70 s ASP 33 Cb 0.20 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1i70 s ASP 33 CO 0.45 -0.86 0.00 0.61 0.21 0.00 0.00 175.17 175.58 1i70 n GLY 34 N 3.82 0.71 3.78 0.21 0.00 0.86 -5.01 105.19 109.56 1i70 n GLY 34 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1i70 n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i70 s VAL 35 N -2.49 3.44 0.30 1.61 -7.23 -1.15 -4.67 120.40 110.21 1i70 s VAL 35 Ca 0.00 0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 60.45 1i70 s VAL 35 Cb 0.00 -3.11 -0.10 0.00 0.56 0.00 0.00 36.38 33.73 1i70 s VAL 35 CO 0.00 -0.51 1.23 -0.69 -0.31 0.00 0.00 175.10 174.82 1i70 s VAL 36 N -2.63 3.05 -0.26 1.32 1.01 -1.26 -0.73 120.40 120.90 1i70 s VAL 36 Ca 0.63 1.04 -0.15 0.00 0.00 0.00 0.00 61.98 63.50 1i70 s VAL 36 Cb -0.18 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1i70 s VAL 36 CO 0.47 0.24 0.38 0.12 0.00 0.00 0.00 175.10 176.32 1i70 s PHE 37 N -1.02 3.27 -0.57 5.22 5.36 -0.38 -4.76 117.98 125.10 1i70 s PHE 37 Ca 0.48 0.45 0.25 0.00 -0.96 0.00 0.00 56.93 57.16 1i70 s PHE 37 Cb -0.37 -2.57 0.67 0.00 -0.34 0.00 0.00 43.02 40.41 1i70 s PHE 37 CO 0.47 -0.19 1.72 1.96 -1.46 0.00 0.00 175.22 177.72 1i70 h GLN 38 N 8.02 0.00 -6.20 10.12 4.20 -1.94 -3.40 115.11 125.90 1i70 h GLN 38 Ca -0.32 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 57.94 1i70 h GLN 38 Cb 1.16 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.95 1i70 h GLN 38 CO 0.66 0.00 -0.80 -1.71 -0.67 0.00 0.00 178.83 176.31 1i70 n ASN 39 N -2.61 -2.65 0.06 1.46 5.15 -1.26 -4.86 115.26 110.56 1i70 n ASN 39 Ca 0.05 -0.81 0.04 0.00 -0.60 0.00 0.00 54.58 53.25 1i70 n ASN 39 Cb 0.45 -3.92 0.45 0.00 -0.53 0.00 0.00 39.78 36.23 1i70 n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1i70 h ARG 40 N -1.96 0.40 -0.30 1.20 3.08 -1.99 -1.47 114.38 113.33 1i70 h ARG 40 Ca -0.60 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.41 1i70 h ARG 40 Cb 1.37 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1i70 h ARG 40 CO 0.61 0.31 0.00 0.39 -1.07 0.00 0.00 179.97 180.21 1i70 n GLU 41 N -4.44 2.09 -2.96 0.04 1.02 -1.26 -4.94 120.64 110.18 1i70 n GLU 41 Ca 0.01 -1.65 -0.22 0.00 -0.02 0.00 0.00 57.16 55.28 1i70 n GLU 41 Cb 0.11 -1.44 0.03 0.00 -0.02 0.00 0.00 31.44 30.12 1i70 n GLU 41 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1i70 n SER 42 N 0.87 -6.10 0.02 1.62 7.64 -0.55 -4.88 113.62 112.23 1i70 n SER 42 Ca 0.17 -0.26 -0.15 0.00 1.01 0.00 0.00 58.87 59.64 1i70 n SER 42 Cb 0.45 -4.93 -0.04 0.00 -1.01 0.00 0.00 64.21 58.68 1i70 n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1i70 h VAL 43 N -1.28 1.33 -3.09 0.44 2.07 -1.92 -3.41 116.25 110.39 1i70 h VAL 43 Ca -0.53 -2.13 -0.48 0.00 0.82 0.00 0.00 66.70 64.38 1i70 h VAL 43 Cb 1.36 2.14 0.02 0.00 -1.52 0.00 0.00 31.29 33.29 1i70 h VAL 43 CO 0.57 0.66 -0.08 -0.76 0.02 0.00 0.00 177.57 177.97 1i70 s LEU 44 N -8.12 3.87 0.47 2.57 1.43 -1.26 -0.91 118.68 116.72 1i70 s LEU 44 Ca -0.08 0.63 -0.23 0.00 -1.03 0.00 0.00 54.13 53.42 1i70 s LEU 44 Cb 0.09 -3.52 -0.09 0.00 0.03 0.00 0.00 46.19 42.69 1i70 s LEU 44 CO 0.88 -0.40 0.98 -2.65 0.23 0.00 0.00 176.35 175.39 1i70 n PRO 45 N -1.96 1.24 -2.11 1.29 -0.02 -1.26 -4.91 135.00 127.27 1i70 n PRO 45 Ca -0.03 0.45 -0.41 0.00 -2.02 0.00 0.00 63.50 61.49 1i70 n PRO 45 Cb 0.56 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1i70 n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1i70 s THR 46 N -1.35 2.90 0.19 3.45 2.01 -1.26 -5.00 115.64 116.58 1i70 s THR 46 Ca 0.66 0.75 -0.11 0.00 0.31 0.00 0.00 61.69 63.31 1i70 s THR 46 Cb -0.52 -3.48 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 1i70 s THR 46 CO 0.55 0.12 0.35 -1.10 -0.69 0.00 0.00 174.62 173.85 1i70 s GLN 47 N -0.29 1.27 0.68 4.92 -1.52 -1.26 -5.14 119.66 118.32 1i70 s GLN 47 Ca 0.58 -1.16 -0.16 0.00 -1.95 0.00 0.00 55.36 52.67 1i70 s GLN 47 Cb -0.39 0.41 0.01 0.00 -0.22 0.00 0.00 33.01 32.82 1i70 s GLN 47 CO 0.41 -0.49 1.19 -1.12 -0.25 0.00 0.00 175.29 175.03 1i70 s SER 48 N -2.97 4.59 0.26 5.90 0.01 -1.26 -4.92 113.70 115.31 1i70 s SER 48 Ca 0.18 2.31 -0.31 0.00 1.31 0.00 0.00 55.95 59.44 1i70 s SER 48 Cb 0.02 -2.59 -0.13 0.00 0.21 0.00 0.00 66.02 63.54 1i70 s SER 48 CO 0.02 -1.99 1.47 0.00 0.41 0.00 0.00 173.24 173.14 1i70 n TYR 49 N -2.39 2.40 0.00 2.43 4.19 -1.26 -2.18 117.16 120.36 1i70 n TYR 49 Ca 0.13 0.37 0.00 0.00 3.31 0.00 0.00 57.90 61.71 1i70 n TYR 49 Cb 0.50 -2.51 0.00 0.00 0.49 0.00 0.00 39.34 37.83 1i70 n TYR 49 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1i70 n GLY 50 N 2.12 0.57 0.20 2.98 0.00 -1.26 -4.95 105.19 104.85 1i70 n GLY 50 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1i70 n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1i70 h TYR 51 N 0.00 0.54 -3.39 1.61 5.03 -1.77 -3.44 116.97 115.55 1i70 h TYR 51 Ca 0.00 -0.18 -0.67 0.00 2.58 0.00 0.00 58.73 60.46 1i70 h TYR 51 Cb 0.00 -0.11 -0.14 0.00 1.55 0.00 0.00 36.73 38.03 1i70 h TYR 51 CO 0.00 0.85 -0.65 0.71 -1.32 0.00 0.00 178.16 177.75 1i70 s TYR 52 N -4.04 3.06 0.09 -3.82 2.02 -1.26 -3.46 117.35 109.94 1i70 s TYR 52 Ca -0.06 0.08 0.05 0.00 -0.37 0.00 0.00 57.07 56.76 1i70 s TYR 52 Cb 0.12 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 1i70 s TYR 52 CO 0.82 0.45 -0.13 -1.01 -1.57 0.00 0.00 175.55 174.11 1i70 s HIS 53 N -1.05 1.22 0.05 2.71 3.76 -0.63 -1.24 115.29 120.10 1i70 s HIS 53 Ca 0.19 -0.54 0.08 0.00 -0.15 0.00 0.00 55.06 54.64 1i70 s HIS 53 Cb -0.11 -0.66 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 1i70 s HIS 53 CO 0.09 0.07 -0.21 -2.00 -0.85 0.00 0.00 174.74 171.84 1i70 s GLU 54 N -2.27 1.94 0.01 1.40 2.12 0.09 -0.53 118.70 121.46 1i70 s GLU 54 Ca 0.03 -1.05 0.01 0.00 0.36 0.00 0.00 54.97 54.32 1i70 s GLU 54 Cb -0.07 -2.11 -0.01 0.00 0.26 0.00 0.00 34.13 32.20 1i70 s GLU 54 CO 0.02 0.52 -0.03 0.71 -0.54 0.00 0.00 175.26 175.95 1i70 s TYR 55 N -0.92 0.24 0.28 5.30 1.51 -0.16 -0.10 117.35 123.50 1i70 s TYR 55 Ca 0.14 -0.16 -0.28 0.00 -1.01 0.00 0.00 57.07 55.76 1i70 s TYR 55 Cb -0.10 -0.16 -0.09 0.00 -0.11 0.00 0.00 41.96 41.50 1i70 s TYR 55 CO 0.05 -0.04 0.96 0.99 -1.11 0.00 0.00 175.55 176.39 1i70 s THR 56 N -0.39 4.07 -0.34 -0.71 2.01 -1.26 -1.11 115.64 117.90 1i70 s THR 56 Ca -0.03 1.93 -0.09 0.00 0.31 0.00 0.00 61.69 63.81 1i70 s THR 56 Cb -0.03 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.33 1i70 s THR 56 CO -0.00 0.34 0.15 -0.69 -0.69 0.00 0.00 174.62 173.74 1i70 s VAL 57 N -1.35 4.29 0.46 3.82 1.01 -0.66 -4.80 120.40 123.17 1i70 s VAL 57 Ca 0.45 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 1i70 s VAL 57 Cb -0.24 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 1i70 s VAL 57 CO 0.29 -0.13 1.40 -0.63 0.00 0.00 0.00 175.10 176.04 1i70 s ILE 58 N 1.52 2.12 -0.38 2.22 1.01 -1.26 -4.43 121.20 121.99 1i70 s ILE 58 Ca 0.01 0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.72 1i70 s ILE 58 Cb -0.19 -3.06 0.08 0.00 0.01 0.00 0.00 42.46 39.30 1i70 s ILE 58 CO 0.05 0.01 0.17 -0.89 0.00 0.00 0.00 174.94 174.28 1i70 s THR 59 N -1.23 3.59 0.29 2.92 2.01 -1.26 -4.79 115.64 117.17 1i70 s THR 59 Ca 0.62 -1.58 -0.29 0.00 0.31 0.00 0.00 61.69 60.75 1i70 s THR 59 Cb -0.43 -3.24 -0.13 0.00 0.01 0.00 0.00 72.50 68.72 1i70 s THR 59 CO 0.54 -0.44 1.31 -2.65 -0.69 0.00 0.00 174.62 172.69 1i70 n PRO 60 N 4.73 2.02 0.00 4.92 -0.02 -1.26 -2.17 135.00 143.22 1i70 n PRO 60 Ca -0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1i70 n PRO 60 Cb 0.43 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1i70 n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i70 n GLY 61 N 1.40 2.53 3.84 -1.23 0.00 -1.26 -5.04 105.19 105.43 1i70 n GLY 61 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1i70 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i70 s ALA 62 N -2.28 3.14 -0.95 4.61 0.00 -0.92 -4.96 121.76 120.41 1i70 s ALA 62 Ca 0.00 0.21 0.24 0.00 0.00 0.00 0.00 51.96 52.41 1i70 s ALA 62 Cb 0.00 -3.01 0.36 0.00 0.00 0.00 0.00 23.12 20.47 1i70 s ALA 62 CO 0.00 0.10 1.31 2.89 0.00 0.00 0.00 175.76 180.06 1i70 n ARG 63 N -0.82 0.04 -2.49 0.00 1.85 -1.26 -4.91 116.66 109.07 1i70 n ARG 63 Ca 0.06 0.01 -0.08 0.00 -1.00 0.00 0.00 57.85 56.83 1i70 n ARG 63 Cb 0.54 -1.52 -0.01 0.00 -1.05 0.00 0.00 32.46 30.42 1i70 n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1i70 n THR 64 N -1.58 0.00 0.43 8.89 -2.24 -1.26 -5.00 114.28 113.53 1i70 n THR 64 Ca 0.05 -0.64 0.09 0.00 -2.27 0.00 0.00 64.05 61.28 1i70 n THR 64 Cb 0.35 -0.08 0.38 0.00 -2.10 0.00 0.00 70.33 68.88 1i70 n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1i70 n ARG 65 N -0.57 0.09 0.00 -0.78 1.74 -1.26 -4.86 116.66 111.02 1i70 n ARG 65 Ca -0.04 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1i70 n ARG 65 Cb 0.18 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1i70 n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i70 n GLY 66 N -0.08 -1.27 0.06 -0.13 0.00 -1.26 -4.56 105.19 97.95 1i70 n GLY 66 Ca 0.03 -1.26 0.01 0.00 0.00 0.00 0.00 46.02 44.79 1i70 n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i70 n THR 67 N -0.02 0.07 -3.33 2.61 -2.24 -1.26 -4.95 114.28 105.15 1i70 n THR 67 Ca 0.00 -0.54 -0.38 0.00 -2.27 0.00 0.00 64.05 60.87 1i70 n THR 67 Cb 0.00 0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 69.16 1i70 n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1i70 s ARG 68 N -0.19 4.32 0.06 -0.78 0.52 -1.26 -0.72 118.95 120.91 1i70 s ARG 68 Ca 0.02 0.40 -0.06 0.00 -0.52 0.00 0.00 55.73 55.57 1i70 s ARG 68 Cb 0.01 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.02 1i70 s ARG 68 CO 0.02 0.14 0.11 1.03 0.02 0.00 0.00 175.30 176.62 1i70 s ARG 69 N 0.69 0.71 -0.17 3.54 1.81 -0.41 -1.65 118.95 123.47 1i70 s ARG 69 Ca 0.25 -0.94 -0.04 0.00 -1.72 0.00 0.00 55.73 53.28 1i70 s ARG 69 Cb -0.15 0.28 -0.02 0.00 -0.45 0.00 0.00 34.95 34.60 1i70 s ARG 69 CO 0.09 -0.19 -0.04 0.42 -0.68 0.00 0.00 175.30 174.90 1i70 s ILE 70 N -3.44 3.76 -0.16 1.52 1.01 -0.26 -1.74 121.20 121.88 1i70 s ILE 70 Ca 0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 1i70 s ILE 70 Cb 0.04 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1i70 s ILE 70 CO -0.09 0.47 -0.01 -0.63 0.00 0.00 0.00 174.94 174.68 1i70 s ILE 71 N 0.64 4.12 -0.03 2.92 -1.09 0.65 -0.99 121.20 127.42 1i70 s ILE 71 Ca -0.02 -0.28 -0.02 0.00 -2.23 0.00 0.00 60.65 58.10 1i70 s ILE 71 Cb -0.14 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 1i70 s ILE 71 CO 0.02 0.49 0.10 0.42 -1.23 0.00 0.00 174.94 174.74 1i70 s THR 72 N 0.31 4.90 0.52 2.92 -4.23 0.31 -0.51 115.64 119.85 1i70 s THR 72 Ca -0.02 -0.27 0.06 0.00 -1.18 0.00 0.00 61.69 60.28 1i70 s THR 72 Cb -0.14 -3.21 0.02 0.00 1.34 0.00 0.00 72.50 70.51 1i70 s THR 72 CO 0.02 0.41 0.38 -0.83 -0.54 0.00 0.00 174.62 174.07 1i70 s GLY 73 N -1.58 2.33 0.48 3.99 0.00 0.84 -1.61 107.32 111.77 1i70 s GLY 73 Ca 0.21 -1.43 0.28 0.00 0.00 0.00 0.00 44.72 43.79 1i70 s GLY 73 CO 0.12 -1.90 1.78 0.83 0.00 0.00 0.00 173.10 173.93 1i70 h GLU 74 N 0.84 0.00 -7.33 2.90 5.08 -1.85 -3.43 114.58 110.80 1i70 h GLU 74 Ca -0.38 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.47 1i70 h GLU 74 Cb 1.29 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.67 1i70 h GLU 74 CO 0.58 0.00 0.32 0.00 -1.00 0.00 0.00 179.01 178.91 1i70 s ALA 75 N -3.42 2.27 0.16 3.43 0.00 -1.26 -4.94 121.76 118.00 1i70 s ALA 75 Ca 0.04 0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.86 1i70 s ALA 75 Cb 0.07 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.85 1i70 s ALA 75 CO 0.61 -1.71 1.70 0.95 0.00 0.00 0.00 175.76 177.31 1i70 s THR 76 N -2.95 2.44 -2.15 0.00 -4.23 -1.26 -2.09 115.64 105.40 1i70 s THR 76 Ca 0.61 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 1i70 s THR 76 Cb -0.16 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1i70 s THR 76 CO 0.56 0.01 0.00 0.00 -0.54 0.00 0.00 174.62 174.65 1i70 n GLN 77 N 4.61 -1.47 -2.86 3.99 6.02 -1.26 -4.89 117.38 121.52 1i70 n GLN 77 Ca 0.16 1.20 -0.43 0.00 -0.01 0.00 0.00 57.00 57.91 1i70 n GLN 77 Cb 0.37 -5.60 -0.02 0.00 1.02 0.00 0.00 30.24 26.02 1i70 n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1i70 s GLU 78 N -3.82 3.65 -0.07 -1.09 2.12 -0.89 -4.86 118.70 113.74 1i70 s GLU 78 Ca 0.00 -1.74 0.02 0.00 0.36 0.00 0.00 54.97 53.61 1i70 s GLU 78 Cb 0.00 -5.01 0.01 0.00 0.26 0.00 0.00 34.13 29.39 1i70 s GLU 78 CO 0.00 -1.85 -0.12 -0.51 -0.54 0.00 0.00 175.26 172.24 1i70 s ASP 79 N 3.78 1.86 -0.01 -1.70 1.01 -1.26 -0.12 116.67 120.24 1i70 s ASP 79 Ca 0.36 -0.31 0.05 0.00 0.71 0.00 0.00 52.55 53.37 1i70 s ASP 79 Cb -0.04 -0.85 -0.03 0.00 1.01 0.00 0.00 42.92 43.02 1i70 s ASP 79 CO -0.08 0.01 -0.16 -0.31 0.21 0.00 0.00 175.17 174.84 1i70 s TYR 80 N 0.80 2.64 -0.04 4.23 2.02 0.34 -0.51 117.35 126.84 1i70 s TYR 80 Ca -0.12 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1i70 s TYR 80 Cb -0.15 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 1i70 s TYR 80 CO 0.02 0.22 0.00 -0.47 -1.57 0.00 0.00 175.55 173.75 1i70 s TYR 81 N -0.83 3.11 -0.02 2.71 5.04 0.13 -0.26 117.35 127.23 1i70 s TYR 81 Ca 0.13 0.12 0.02 0.00 -2.44 0.00 0.00 57.07 54.91 1i70 s TYR 81 Cb -0.11 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.49 1i70 s TYR 81 CO 0.03 0.46 -0.08 -0.08 -1.34 0.00 0.00 175.55 174.54 1i70 s THR 82 N -1.00 0.72 -1.30 4.34 -1.32 -0.71 -1.02 115.64 115.34 1i70 s THR 82 Ca 0.17 -0.33 0.11 0.00 -1.21 0.00 0.00 61.69 60.43 1i70 s THR 82 Cb -0.11 -0.64 0.14 0.00 -1.51 0.00 0.00 72.50 70.37 1i70 s THR 82 CO 0.07 0.23 0.95 0.61 -2.21 0.00 0.00 174.62 174.27 1i70 n GLY 83 N 3.27 0.40 1.53 6.08 0.00 -1.26 -1.29 105.19 113.91 1i70 n GLY 83 Ca -0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.50 1i70 n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i70 n ASP 84 N 0.61 1.92 -3.47 1.61 5.68 -1.18 -4.41 116.55 117.32 1i70 n ASP 84 Ca 0.08 -2.87 -0.18 0.00 -0.50 0.00 0.00 54.79 51.32 1i70 n ASP 84 Cb 0.32 -0.41 0.08 0.00 -1.14 0.00 0.00 41.12 39.96 1i70 n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1i70 n HIS 85 N -0.39 -2.16 -1.12 2.11 -0.00 0.10 -2.90 115.22 110.87 1i70 n HIS 85 Ca 0.16 0.90 -0.04 0.00 -0.00 0.00 0.00 57.72 58.74 1i70 n HIS 85 Cb 0.92 -4.79 -0.02 0.00 -0.00 0.00 0.00 29.99 26.10 1i70 n HIS 85 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1i70 n PHE 86 N -4.04 0.00 -0.02 1.57 3.72 -1.26 -4.91 117.46 112.51 1i70 n PHE 86 Ca -0.26 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 56.98 1i70 n PHE 86 Cb 0.66 -1.09 -0.12 0.00 -0.94 0.00 0.00 39.48 37.99 1i70 n PHE 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i70 h ALA 87 N 0.00 0.02 -3.22 4.37 0.00 -1.94 -3.47 119.26 115.02 1i70 h ALA 87 Ca -0.08 -0.50 -0.39 0.00 0.00 0.00 0.00 54.91 53.94 1i70 h ALA 87 Cb 0.35 0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.96 1i70 h ALA 87 CO 0.12 0.11 -0.77 0.95 0.00 0.00 0.00 179.25 179.67 1i70 s THR 88 N -2.94 1.07 0.01 0.00 -4.23 -1.26 -5.06 115.64 103.22 1i70 s THR 88 Ca -0.16 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 1i70 s THR 88 Cb 0.00 -1.13 -0.01 0.00 1.34 0.00 0.00 72.50 72.70 1i70 s THR 88 CO 0.75 -0.31 -0.07 -0.36 -0.54 0.00 0.00 174.62 174.08 1i70 s PHE 89 N -1.57 0.65 0.07 3.99 0.40 -1.26 -4.40 117.98 115.85 1i70 s PHE 89 Ca -0.00 -0.21 0.09 0.00 -0.60 0.00 0.00 56.93 56.21 1i70 s PHE 89 Cb -0.08 -0.41 -0.03 0.00 0.51 0.00 0.00 43.02 43.01 1i70 s PHE 89 CO 0.02 -0.02 -0.24 -1.12 0.70 0.00 0.00 175.22 174.55 1i70 s SER 90 N -0.52 2.93 0.08 1.36 0.01 -0.19 -0.25 113.70 117.12 1i70 s SER 90 Ca -0.00 -0.61 -0.30 0.00 1.31 0.00 0.00 55.95 56.35 1i70 s SER 90 Cb -0.04 -0.24 -0.06 0.00 0.21 0.00 0.00 66.02 65.89 1i70 s SER 90 CO 0.00 0.20 1.09 -0.22 0.41 0.00 0.00 173.24 174.72 1i70 s LEU 91 N -1.43 4.42 -0.07 2.44 2.96 -0.36 -0.69 118.68 125.94 1i70 s LEU 91 Ca 0.10 1.92 -0.24 0.00 -0.22 0.00 0.00 54.13 55.70 1i70 s LEU 91 Cb -0.10 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1i70 s LEU 91 CO 0.03 -0.31 0.72 -0.63 -1.32 0.00 0.00 176.35 174.84 1i70 s ILE 92 N 0.57 5.03 -0.36 6.68 1.01 0.33 -0.60 121.20 133.87 1i70 s ILE 92 Ca 0.53 1.48 -0.14 0.00 0.00 0.00 0.00 60.65 62.53 1i70 s ILE 92 Cb -0.27 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1i70 s ILE 92 CO 0.31 0.24 0.26 -0.62 0.00 0.00 0.00 174.94 175.13 1i70 s ASP 93 N 0.83 6.08 0.00 3.58 -1.08 0.50 -4.78 116.67 121.80 1i70 s ASP 93 Ca 0.38 -0.54 0.21 0.00 -0.52 0.00 0.00 52.55 52.09 1i70 s ASP 93 Cb -0.18 -2.15 1.14 0.00 -1.46 0.00 0.00 42.92 40.28 1i70 s ASP 93 CO 0.18 -0.30 1.75 0.00 0.52 0.00 0.00 175.17 177.33 1i70 n GLN 94 N 5.14 1.19 0.00 4.34 6.02 -1.26 -1.60 117.38 131.21 1i70 n GLN 94 Ca -0.12 -0.28 0.12 0.00 -0.01 0.00 0.00 57.00 56.71 1i70 n GLN 94 Cb 0.49 -1.35 0.06 0.00 1.02 0.00 0.00 30.24 30.46 1i70 n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1i70 n THR 95 N -0.54 0.00 -0.78 5.09 -2.24 -1.26 -4.87 114.28 109.68 1i70 n THR 95 Ca 0.16 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1i70 n THR 95 Cb 0.14 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1i70 n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50