#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rge s VAL 2 N 0.00 5.01 -1.27 2.53 1.01 -1.26 -4.67 120.40 121.75 1rge s VAL 2 Ca 0.00 1.20 -0.09 0.00 0.00 0.00 0.00 61.98 63.08 1rge s VAL 2 Cb 0.00 -3.92 0.18 0.00 0.00 0.00 0.00 36.38 32.64 1rge s VAL 2 CO 0.00 0.37 1.84 -1.20 0.00 0.00 0.00 175.10 176.11 1rge n SER 3 N 3.11 5.17 -0.22 3.32 7.64 0.36 -4.99 113.62 128.02 1rge n SER 3 Ca -0.06 -3.12 0.02 0.00 1.01 0.00 0.00 58.87 56.71 1rge n SER 3 Cb 0.51 -1.47 -0.00 0.00 -1.01 0.00 0.00 64.21 62.24 1rge n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rge n GLY 4 N 2.76 -2.05 3.56 0.23 0.00 -1.26 -4.50 105.19 103.93 1rge n GLY 4 Ca 0.39 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 1rge n GLY 4 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rge s THR 5 N -0.62 3.62 -0.02 2.61 -1.32 -1.26 -0.71 115.64 117.94 1rge s THR 5 Ca 0.00 -0.51 0.04 0.00 -1.21 0.00 0.00 61.69 60.01 1rge s THR 5 Cb 0.00 -2.48 -0.01 0.00 -1.51 0.00 0.00 72.50 68.51 1rge s THR 5 CO 0.00 0.59 -0.14 -0.69 -2.21 0.00 0.00 174.62 172.17 1rge s VAL 6 N -0.69 1.11 0.44 5.08 1.01 0.28 -4.91 120.40 122.72 1rge s VAL 6 Ca 0.10 -0.58 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 1rge s VAL 6 Cb -0.11 -0.94 -0.08 0.00 0.00 0.00 0.00 36.38 35.25 1rge s VAL 6 CO 0.02 0.32 1.29 0.00 0.00 0.00 0.00 175.10 176.73 1rge h LEU 8 N 2.35 0.81 -1.36 0.00 5.85 -0.66 -0.52 115.31 121.78 1rge h LEU 8 Ca -0.50 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1rge h LEU 8 Cb 1.26 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1rge h LEU 8 CO 0.61 0.44 0.00 0.77 -0.34 0.00 0.00 178.44 179.93 1rge h SER 9 N 0.91 0.00 0.48 1.25 4.64 -1.71 -2.18 113.55 116.93 1rge h SER 9 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1rge h SER 9 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1rge h SER 9 CO -0.26 0.00 -0.53 0.00 -0.87 0.00 0.00 176.83 175.17 1rge n ALA 10 N -1.85 3.60 -2.20 5.18 0.00 -0.21 -4.92 120.51 120.12 1rge n ALA 10 Ca -0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 53.44 52.82 1rge n ALA 10 Cb 0.14 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.50 1rge n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rge s LEU 11 N -3.02 3.45 0.64 0.00 1.43 -0.82 -5.02 118.68 115.33 1rge s LEU 11 Ca 0.11 0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 53.61 1rge s LEU 11 Cb 0.17 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 1rge s LEU 11 CO 0.71 -0.86 1.04 -2.65 0.23 0.00 0.00 176.35 174.82 1rge n PRO 12 N -2.35 0.87 0.28 1.29 -0.02 -1.26 -4.85 135.00 128.96 1rge n PRO 12 Ca 0.03 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 1rge n PRO 12 Cb 0.57 -2.26 0.79 0.00 -0.02 0.00 0.00 33.50 32.58 1rge n PRO 12 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1rge h PRO 13 N 0.35 0.00 0.00 0.52 0.11 -1.94 -1.01 132.00 130.03 1rge h PRO 13 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1rge h PRO 13 Cb 1.36 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.46 1rge h PRO 13 CO 0.51 0.00 -0.08 0.93 -0.21 0.00 0.00 178.00 179.15 1rge h GLU 14 N 0.00 0.00 -0.38 1.05 3.07 -1.88 -1.37 114.58 115.07 1rge h GLU 14 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1rge h GLU 14 Cb 0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1rge h GLU 14 CO -0.00 0.08 -0.10 0.00 -1.40 0.00 0.00 179.01 177.59 1rge h ALA 15 N 1.92 1.12 -0.47 3.43 0.00 -1.52 -1.38 119.26 122.36 1rge h ALA 15 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1rge h ALA 15 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1rge h ALA 15 CO 0.01 0.55 0.18 1.15 0.00 0.00 0.00 179.25 181.14 1rge h THR 16 N 0.60 1.21 -0.32 0.00 2.02 -1.38 -1.65 112.91 113.39 1rge h THR 16 Ca 0.11 -0.66 0.04 0.00 0.77 0.00 0.00 66.41 66.67 1rge h THR 16 Cb 0.53 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1rge h THR 16 CO 0.03 0.24 0.09 0.44 0.37 0.00 0.00 175.52 176.70 1rge h ASP 17 N 0.62 0.08 -0.55 4.18 3.32 -1.25 -1.12 116.42 121.69 1rge h ASP 17 Ca 0.16 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1rge h ASP 17 Cb 0.21 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1rge h ASP 17 CO -0.01 0.08 0.21 0.74 -1.72 0.00 0.00 179.24 178.54 1rge h THR 18 N 0.22 1.22 -0.98 0.35 2.02 -1.03 -1.57 112.91 113.14 1rge h THR 18 Ca 0.15 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.63 1rge h THR 18 Cb 0.14 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1rge h THR 18 CO -0.17 0.27 0.65 -0.07 0.37 0.00 0.00 175.52 176.58 1rge h LEU 19 N 0.76 1.12 -0.92 2.58 3.38 -1.01 -0.36 115.31 120.87 1rge h LEU 19 Ca 0.18 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1rge h LEU 19 Cb 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1rge h LEU 19 CO -0.01 0.81 0.02 0.78 0.09 0.00 0.00 178.44 180.12 1rge h ASN 20 N 1.32 0.77 -0.61 -0.43 2.35 -0.70 -1.62 115.58 116.66 1rge h ASN 20 Ca 0.37 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 1rge h ASN 20 Cb -0.13 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 1rge h ASN 20 CO -0.09 0.83 0.04 -0.07 -1.65 0.00 0.00 177.43 176.49 1rge h LEU 21 N 0.76 1.02 -0.96 1.61 3.38 -0.66 -2.60 115.31 117.86 1rge h LEU 21 Ca 0.15 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1rge h LEU 21 Cb 0.43 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1rge h LEU 21 CO 0.02 1.06 0.59 0.40 0.09 0.00 0.00 178.44 180.60 1rge h ILE 22 N 0.95 1.26 0.00 1.22 2.04 -0.79 0.97 117.51 123.16 1rge h ILE 22 Ca 0.18 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 1rge h ILE 22 Cb 0.51 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1rge h ILE 22 CO 0.02 0.27 -0.26 0.00 0.00 0.00 0.00 178.15 178.18 1rge h ALA 23 N 1.33 1.51 -0.02 1.87 0.00 -1.02 -2.37 119.26 120.55 1rge h ALA 23 Ca 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1rge h ALA 23 Cb -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1rge h ALA 23 CO -0.07 0.33 -0.09 -1.13 0.00 0.00 0.00 179.25 178.29 1rge n SER 24 N -4.14 2.04 -3.33 0.00 3.41 -1.00 -4.94 113.62 105.65 1rge n SER 24 Ca -0.02 -1.60 -0.21 0.00 -0.26 0.00 0.00 58.87 56.77 1rge n SER 24 Cb 0.32 0.07 0.07 0.00 -0.26 0.00 0.00 64.21 64.42 1rge n SER 24 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1rge n ASP 25 N 0.46 -5.71 0.00 4.04 8.00 -0.66 -4.75 116.55 117.93 1rge n ASP 25 Ca 0.15 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1rge n ASP 25 Cb 0.46 -4.66 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 1rge n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rge n GLY 26 N -1.83 -1.78 3.78 0.44 0.00 0.25 -4.84 105.19 101.21 1rge n GLY 26 Ca -0.01 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 1rge n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rge s PRO 27 N 0.00 3.05 0.07 1.61 0.04 -1.26 -4.93 135.00 133.58 1rge s PRO 27 Ca 0.00 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.39 1rge s PRO 27 Cb 0.00 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1rge s PRO 27 CO 0.00 -1.04 0.10 -0.06 0.04 0.00 0.00 177.00 176.04 1rge s PHE 28 N -2.35 3.25 -0.00 0.56 0.08 -1.26 -4.98 117.98 113.28 1rge s PHE 28 Ca 0.66 0.12 0.20 0.00 0.12 0.00 0.00 56.93 58.02 1rge s PHE 28 Cb -0.19 -1.65 0.52 0.00 -0.57 0.00 0.00 43.02 41.13 1rge s PHE 28 CO 0.39 0.53 1.65 -1.00 -0.10 0.00 0.00 175.22 176.69 1rge h PRO 29 N 3.36 0.00 -6.63 0.24 0.13 -1.99 -3.45 132.00 123.67 1rge h PRO 29 Ca -0.47 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.98 1rge h PRO 29 Cb 1.16 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.07 1rge h PRO 29 CO 0.67 0.34 -0.82 0.71 -0.23 0.00 0.00 178.00 178.67 1rge s TYR 30 N -3.35 2.50 0.35 1.56 2.02 -1.26 -5.02 117.35 114.14 1rge s TYR 30 Ca 0.02 -0.30 0.30 0.00 -0.37 0.00 0.00 57.07 56.72 1rge s TYR 30 Cb 0.09 -1.44 1.46 0.00 -0.40 0.00 0.00 41.96 41.67 1rge s TYR 30 CO 0.69 0.23 2.05 0.66 -1.57 0.00 0.00 175.55 177.61 1rge h SER 31 N 4.55 0.00 1.12 2.29 4.64 -2.04 -2.05 113.55 122.05 1rge h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1rge h SER 31 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1rge h SER 31 CO 0.46 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.53 1rge n GLN 32 N -3.46 0.15 -2.01 4.77 3.00 -1.26 -4.82 117.38 113.75 1rge n GLN 32 Ca -0.01 0.19 -0.42 0.00 -0.01 0.00 0.00 57.00 56.74 1rge n GLN 32 Cb 0.26 -1.69 -0.03 0.00 0.00 0.00 0.00 30.24 28.78 1rge n GLN 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1rge s ASP 33 N -3.87 6.67 0.00 1.08 1.01 -0.77 -2.16 116.67 118.63 1rge s ASP 33 Ca 0.10 2.39 0.00 0.00 0.71 0.00 0.00 52.55 55.75 1rge s ASP 33 Cb 0.14 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1rge s ASP 33 CO 0.51 -0.84 0.00 0.61 0.21 0.00 0.00 175.17 175.66 1rge n GLY 34 N 3.88 0.27 3.74 0.21 0.00 0.42 -5.00 105.19 108.72 1rge n GLY 34 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1rge n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rge s VAL 35 N -2.03 2.95 0.29 1.61 -7.23 -0.92 -4.67 120.40 110.41 1rge s VAL 35 Ca 0.00 0.31 -0.29 0.00 -1.81 0.00 0.00 61.98 60.19 1rge s VAL 35 Cb 0.00 -2.67 -0.10 0.00 0.56 0.00 0.00 36.38 34.17 1rge s VAL 35 CO 0.00 -0.40 1.32 -0.69 -0.31 0.00 0.00 175.10 175.01 1rge s VAL 36 N -2.84 2.83 -0.25 1.32 1.01 -1.26 -1.17 120.40 120.04 1rge s VAL 36 Ca 0.63 0.78 -0.12 0.00 0.00 0.00 0.00 61.98 63.27 1rge s VAL 36 Cb -0.19 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1rge s VAL 36 CO 0.57 0.17 0.23 0.12 0.00 0.00 0.00 175.10 176.19 1rge s PHE 37 N -0.76 3.29 -0.12 5.22 5.36 -0.38 -4.74 117.98 125.85 1rge s PHE 37 Ca 0.51 0.28 0.27 0.00 -0.96 0.00 0.00 56.93 57.03 1rge s PHE 37 Cb -0.39 -2.38 0.81 0.00 -0.34 0.00 0.00 43.02 40.72 1rge s PHE 37 CO 0.48 -0.05 1.78 1.96 -1.46 0.00 0.00 175.22 177.93 1rge h GLN 38 N 7.82 0.00 -6.14 10.12 4.20 -1.95 -3.40 115.11 125.76 1rge h GLN 38 Ca -0.36 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 57.90 1rge h GLN 38 Cb 1.17 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.98 1rge h GLN 38 CO 0.63 0.08 -0.75 -1.71 -0.67 0.00 0.00 178.83 176.41 1rge n ASN 39 N -3.15 -4.64 -0.06 1.46 5.15 -1.26 -4.87 115.26 107.89 1rge n ASN 39 Ca 0.02 -0.72 -0.02 0.00 -0.60 0.00 0.00 54.58 53.26 1rge n ASN 39 Cb 0.44 -4.23 0.24 0.00 -0.53 0.00 0.00 39.78 35.70 1rge n ASN 39 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1rge h ARG 40 N -2.21 0.66 -0.00 1.20 2.43 -1.99 -1.72 114.38 112.75 1rge h ARG 40 Ca -0.58 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.44 1rge h ARG 40 Cb 1.37 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1rge h ARG 40 CO 0.63 0.65 -0.04 0.39 -1.51 0.00 0.00 179.97 180.08 1rge n GLU 41 N -4.27 0.85 -2.65 0.20 4.71 -1.26 -4.93 120.64 113.29 1rge n GLU 41 Ca 0.02 -0.20 -0.22 0.00 -0.01 0.00 0.00 57.16 56.76 1rge n GLU 41 Cb 0.24 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.19 1rge n GLU 41 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1rge n SER 42 N -0.90 -6.05 0.03 1.62 7.64 -0.65 -4.90 113.62 110.41 1rge n SER 42 Ca 0.18 -0.13 -0.18 0.00 1.01 0.00 0.00 58.87 59.75 1rge n SER 42 Cb 0.23 -4.98 -0.08 0.00 -1.01 0.00 0.00 64.21 58.38 1rge n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1rge h VAL 43 N -0.57 1.31 -2.91 0.44 2.07 -1.92 -3.40 116.25 111.26 1rge h VAL 43 Ca -0.51 -2.21 -0.46 0.00 0.82 0.00 0.00 66.70 64.34 1rge h VAL 43 Cb 1.37 2.27 0.04 0.00 -1.52 0.00 0.00 31.29 33.45 1rge h VAL 43 CO 0.58 0.68 -0.02 -0.76 0.02 0.00 0.00 177.57 178.08 1rge s LEU 44 N -8.10 3.45 0.47 2.57 1.43 -1.26 -0.46 118.68 116.78 1rge s LEU 44 Ca -0.09 0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 53.08 1rge s LEU 44 Cb 0.08 -3.17 -0.08 0.00 0.03 0.00 0.00 46.19 43.05 1rge s LEU 44 CO 0.90 -0.91 1.42 -2.84 0.23 0.00 0.00 176.35 175.15 1rge s PRO 45 N -4.71 3.59 0.17 1.29 0.02 -1.26 -4.88 135.00 129.21 1rge s PRO 45 Ca 0.52 2.39 -0.32 0.00 0.02 0.00 0.00 61.00 63.61 1rge s PRO 45 Cb -0.10 -2.59 -0.11 0.00 0.02 0.00 0.00 34.50 31.72 1rge s PRO 45 CO 0.40 -0.88 1.75 0.99 -0.33 0.00 0.00 177.00 178.93 1rge s THR 46 N -1.22 2.27 0.23 0.99 2.01 -1.26 -4.99 115.64 113.66 1rge s THR 46 Ca 0.63 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.62 1rge s THR 46 Cb -0.43 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 1rge s THR 46 CO 0.55 0.00 0.31 -1.10 -0.69 0.00 0.00 174.62 173.69 1rge s GLN 47 N 1.79 1.39 0.77 4.92 -1.52 -1.26 -5.16 119.66 120.59 1rge s GLN 47 Ca 0.77 -1.45 -0.14 0.00 -1.95 0.00 0.00 55.36 52.59 1rge s GLN 47 Cb -0.48 0.37 0.06 0.00 -0.22 0.00 0.00 33.01 32.74 1rge s GLN 47 CO 0.34 -0.52 1.21 -1.54 -0.25 0.00 0.00 175.29 174.52 1rge s SER 48 N -3.09 3.89 0.09 5.90 1.04 -1.26 -4.92 113.70 115.35 1rge s SER 48 Ca 0.31 2.37 -0.31 0.00 0.48 0.00 0.00 55.95 58.80 1rge s SER 48 Cb 0.03 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 1rge s SER 48 CO 0.11 -2.47 1.72 -0.47 0.98 0.00 0.00 173.24 173.11 1rge s TYR 49 N -2.04 2.34 0.00 5.02 5.04 -1.26 -1.94 117.35 124.51 1rge s TYR 49 Ca 0.74 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1rge s TYR 49 Cb -0.29 -4.04 0.00 0.00 0.35 0.00 0.00 41.96 37.97 1rge s TYR 49 CO 0.48 -4.23 0.00 0.41 -1.34 0.00 0.00 175.55 170.87 1rge n GLY 50 N 4.08 0.54 0.26 8.97 0.00 -1.26 -4.94 105.19 112.84 1rge n GLY 50 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1rge n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rge h TYR 51 N 0.00 0.68 -3.44 1.61 5.03 -1.72 -3.44 116.97 115.69 1rge h TYR 51 Ca 0.00 -0.13 -0.68 0.00 2.58 0.00 0.00 58.73 60.51 1rge h TYR 51 Cb 0.00 -0.18 -0.16 0.00 1.55 0.00 0.00 36.73 37.95 1rge h TYR 51 CO 0.00 0.75 -0.65 0.71 -1.32 0.00 0.00 178.16 177.64 1rge s TYR 52 N -4.69 3.05 0.08 -3.82 2.02 -1.26 -2.69 117.35 110.05 1rge s TYR 52 Ca -0.08 0.09 0.05 0.00 -0.37 0.00 0.00 57.07 56.76 1rge s TYR 52 Cb 0.14 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.95 1rge s TYR 52 CO 0.80 0.43 -0.13 -1.01 -1.57 0.00 0.00 175.55 174.07 1rge s HIS 53 N -0.95 1.16 0.02 2.71 3.76 -0.77 -1.25 115.29 119.97 1rge s HIS 53 Ca 0.16 -0.53 0.05 0.00 -0.15 0.00 0.00 55.06 54.59 1rge s HIS 53 Cb -0.11 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.90 1rge s HIS 53 CO 0.05 0.05 -0.13 -1.83 -0.85 0.00 0.00 174.74 172.03 1rge s GLU 54 N -2.16 2.32 -0.00 1.40 -1.05 -0.32 -0.73 118.70 118.16 1rge s GLU 54 Ca 0.01 -0.84 0.01 0.00 -0.15 0.00 0.00 54.97 54.00 1rge s GLU 54 Cb -0.07 -2.34 -0.00 0.00 -0.44 0.00 0.00 34.13 31.28 1rge s GLU 54 CO 0.02 0.57 -0.03 0.71 0.95 0.00 0.00 175.26 177.48 1rge s TYR 55 N -0.93 0.28 0.27 4.83 1.51 -0.13 -0.43 117.35 122.75 1rge s TYR 55 Ca 0.15 -0.05 -0.29 0.00 -1.01 0.00 0.00 57.07 55.87 1rge s TYR 55 Cb -0.11 -0.19 -0.09 0.00 -0.11 0.00 0.00 41.96 41.46 1rge s TYR 55 CO 0.06 -0.01 1.20 0.99 -1.11 0.00 0.00 175.55 176.68 1rge s THR 56 N -0.06 3.25 -0.29 -0.71 2.01 -1.26 -0.89 115.64 117.68 1rge s THR 56 Ca 0.01 1.19 -0.09 0.00 0.31 0.00 0.00 61.69 63.12 1rge s THR 56 Cb -0.01 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 1rge s THR 56 CO -0.00 0.26 0.12 -0.69 -0.69 0.00 0.00 174.62 173.62 1rge s VAL 57 N -0.82 4.44 0.32 3.82 1.01 -0.83 -4.78 120.40 123.56 1rge s VAL 57 Ca 0.48 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1rge s VAL 57 Cb -0.35 -3.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 1rge s VAL 57 CO 0.43 0.14 1.33 -0.63 0.00 0.00 0.00 175.10 176.37 1rge s ILE 58 N 1.60 2.70 -0.28 2.22 1.01 -1.26 -4.41 121.20 122.78 1rge s ILE 58 Ca 0.05 0.69 -0.11 0.00 0.00 0.00 0.00 60.65 61.27 1rge s ILE 58 Cb -0.17 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 1rge s ILE 58 CO 0.05 0.16 0.20 -0.89 0.00 0.00 0.00 174.94 174.46 1rge s THR 59 N -0.96 5.30 0.25 2.92 2.01 -1.26 -4.83 115.64 119.08 1rge s THR 59 Ca 0.50 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 62.38 1rge s THR 59 Cb -0.40 -3.54 -0.12 0.00 0.01 0.00 0.00 72.50 68.44 1rge s THR 59 CO 0.52 0.24 1.56 -2.65 -0.69 0.00 0.00 174.62 173.60 1rge n PRO 60 N 5.07 2.48 0.00 4.92 -0.02 -1.26 -2.00 135.00 144.18 1rge n PRO 60 Ca -0.14 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1rge n PRO 60 Cb 0.52 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1rge n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rge n GLY 61 N 2.55 2.76 3.77 -1.23 0.00 -1.26 -5.02 105.19 106.76 1rge n GLY 61 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1rge n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rge s ALA 62 N -2.03 3.28 -0.21 4.61 0.00 -0.85 -4.94 121.76 121.62 1rge s ALA 62 Ca 0.00 1.00 0.17 0.00 0.00 0.00 0.00 51.96 53.13 1rge s ALA 62 Cb 0.00 -3.38 0.09 0.00 0.00 0.00 0.00 23.12 19.82 1rge s ALA 62 CO 0.00 -0.46 1.36 0.00 0.00 0.00 0.00 175.76 176.67 1rge h ARG 63 N 3.05 0.00 0.00 0.00 3.08 -1.95 -3.47 114.38 115.08 1rge h ARG 63 Ca -0.48 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.19 1rge h ARG 63 Cb 1.23 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 1rge h ARG 63 CO 0.64 0.34 -0.18 0.25 -1.07 0.00 0.00 179.97 179.95 1rge n THR 64 N -3.12 0.00 0.68 2.04 -2.24 -1.26 -5.02 114.28 105.37 1rge n THR 64 Ca 0.01 -1.44 0.10 0.00 -2.27 0.00 0.00 64.05 60.44 1rge n THR 64 Cb 0.70 -0.18 0.42 0.00 -2.10 0.00 0.00 70.33 69.17 1rge n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rge n ARG 65 N -1.34 0.00 0.00 -0.78 1.74 -1.26 -4.87 116.66 110.15 1rge n ARG 65 Ca -0.02 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1rge n ARG 65 Cb 0.41 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1rge n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rge n GLY 66 N 0.55 0.20 0.14 -0.13 0.00 -1.26 -4.38 105.19 100.32 1rge n GLY 66 Ca 0.05 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 45.12 1rge n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rge n THR 67 N 0.00 0.33 -3.83 2.61 -2.24 -1.26 -4.94 114.28 104.95 1rge n THR 67 Ca 0.00 -0.67 -0.37 0.00 -2.27 0.00 0.00 64.05 60.75 1rge n THR 67 Cb 0.00 0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 1rge n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1rge s ARG 68 N -0.50 3.64 0.05 -0.78 0.52 -1.26 -1.02 118.95 119.59 1rge s ARG 68 Ca 0.05 -0.13 -0.13 0.00 -0.52 0.00 0.00 55.73 55.00 1rge s ARG 68 Cb 0.03 -3.25 0.02 0.00 0.52 0.00 0.00 34.95 32.27 1rge s ARG 68 CO 0.04 0.66 0.28 1.03 0.02 0.00 0.00 175.30 177.33 1rge s ARG 69 N -0.69 0.81 -0.12 3.54 1.81 -0.43 -1.96 118.95 121.91 1rge s ARG 69 Ca 0.14 -0.58 -0.00 0.00 -1.72 0.00 0.00 55.73 53.56 1rge s ARG 69 Cb -0.12 0.35 -0.02 0.00 -0.45 0.00 0.00 34.95 34.70 1rge s ARG 69 CO 0.03 -0.26 -0.10 0.42 -0.68 0.00 0.00 175.30 174.71 1rge s ILE 70 N -2.75 3.38 -0.23 1.52 1.01 -0.07 -1.62 121.20 122.44 1rge s ILE 70 Ca -0.04 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 1rge s ILE 70 Cb -0.00 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1rge s ILE 70 CO -0.05 0.54 0.03 -0.63 0.00 0.00 0.00 174.94 174.83 1rge s ILE 71 N 0.03 4.06 0.15 2.92 -1.09 0.15 -0.95 121.20 126.47 1rge s ILE 71 Ca -0.03 -0.26 -0.13 0.00 -2.23 0.00 0.00 60.65 58.00 1rge s ILE 71 Cb -0.14 -2.87 -0.07 0.00 -1.58 0.00 0.00 42.46 37.80 1rge s ILE 71 CO 0.04 0.39 0.54 0.42 -1.23 0.00 0.00 174.94 175.09 1rge s THR 72 N 1.35 4.88 0.37 2.92 -4.23 0.09 -0.46 115.64 120.56 1rge s THR 72 Ca 0.05 0.76 0.08 0.00 -1.18 0.00 0.00 61.69 61.40 1rge s THR 72 Cb -0.15 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 1rge s THR 72 CO 0.02 0.22 0.27 -0.83 -0.54 0.00 0.00 174.62 173.76 1rge s GLY 73 N -1.78 1.97 0.46 3.99 0.00 -0.06 -1.86 107.32 110.04 1rge s GLY 73 Ca 0.38 -1.80 0.25 0.00 0.00 0.00 0.00 44.72 43.55 1rge s GLY 73 CO 0.19 -1.68 1.85 0.83 0.00 0.00 0.00 173.10 174.29 1rge h GLU 74 N 1.27 0.00 -7.24 2.90 4.39 -1.80 -3.42 114.58 110.68 1rge h GLU 74 Ca -0.43 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 58.76 1rge h GLU 74 Cb 1.26 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 30.02 1rge h GLU 74 CO 0.60 0.20 0.36 0.00 -1.16 0.00 0.00 179.01 179.00 1rge s ALA 75 N -3.68 2.41 0.16 3.43 0.00 -1.26 -4.93 121.76 117.89 1rge s ALA 75 Ca 0.00 0.43 -0.32 0.00 0.00 0.00 0.00 51.96 52.08 1rge s ALA 75 Cb 0.10 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.81 1rge s ALA 75 CO 0.62 -1.42 1.75 2.41 0.00 0.00 0.00 175.76 179.13 1rge n THR 76 N -2.80 0.16 -1.14 0.00 -1.04 -1.26 -1.90 114.28 106.31 1rge n THR 76 Ca 0.10 -0.03 -0.05 0.00 -2.04 0.00 0.00 64.05 62.03 1rge n THR 76 Cb 0.52 -1.97 -0.02 0.00 -1.82 0.00 0.00 70.33 67.04 1rge n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rge n GLN 77 N 4.63 -1.19 -2.96 -2.82 1.13 -1.26 -4.94 117.38 109.96 1rge n GLN 77 Ca 0.17 0.56 -0.44 0.00 -1.94 0.00 0.00 57.00 55.35 1rge n GLN 77 Cb 0.35 -4.57 -0.04 0.00 0.11 0.00 0.00 30.24 26.08 1rge n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1rge s GLU 78 N -1.96 3.09 -0.04 -1.09 2.12 -0.80 -4.87 118.70 115.16 1rge s GLU 78 Ca 0.00 -1.06 -0.02 0.00 0.36 0.00 0.00 54.97 54.25 1rge s GLU 78 Cb 0.00 -4.26 0.03 0.00 0.26 0.00 0.00 34.13 30.16 1rge s GLU 78 CO 0.00 -1.70 0.09 -0.51 -0.54 0.00 0.00 175.26 172.59 1rge s ASP 79 N 3.66 -0.05 -0.03 -1.70 1.01 -1.26 -0.88 116.67 117.41 1rge s ASP 79 Ca 0.18 0.17 0.07 0.00 0.71 0.00 0.00 52.55 53.68 1rge s ASP 79 Cb -0.20 0.10 -0.02 0.00 1.01 0.00 0.00 42.92 43.81 1rge s ASP 79 CO 0.08 -0.10 -0.23 -0.31 0.21 0.00 0.00 175.17 174.82 1rge s TYR 80 N 0.76 2.43 -0.11 4.23 2.02 0.39 -0.88 117.35 126.19 1rge s TYR 80 Ca -0.06 -0.42 -0.04 0.00 -0.37 0.00 0.00 57.07 56.18 1rge s TYR 80 Cb -0.08 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.89 1rge s TYR 80 CO -0.03 -0.02 0.04 -0.47 -1.57 0.00 0.00 175.55 173.50 1rge s TYR 81 N -0.56 3.25 -0.02 2.71 5.04 0.48 -0.67 117.35 127.58 1rge s TYR 81 Ca 0.08 0.22 0.05 0.00 -2.44 0.00 0.00 57.07 54.97 1rge s TYR 81 Cb -0.11 -1.87 -0.01 0.00 0.35 0.00 0.00 41.96 40.33 1rge s TYR 81 CO 0.00 0.45 -0.16 -0.08 -1.34 0.00 0.00 175.55 174.43 1rge s THR 82 N -0.67 1.28 -1.55 4.34 -1.32 -0.64 -1.22 115.64 115.86 1rge s THR 82 Ca 0.11 -0.67 0.13 0.00 -1.21 0.00 0.00 61.69 60.05 1rge s THR 82 Cb -0.12 -1.08 0.14 0.00 -1.51 0.00 0.00 72.50 69.93 1rge s THR 82 CO 0.02 0.37 0.97 0.61 -2.21 0.00 0.00 174.62 174.38 1rge n GLY 83 N 2.88 0.28 1.93 6.08 0.00 -1.26 -1.31 105.19 113.79 1rge n GLY 83 Ca -0.16 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 1rge n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rge n ASP 84 N 0.73 2.52 -3.73 1.61 5.68 -1.20 -4.45 116.55 117.70 1rge n ASP 84 Ca 0.08 -2.89 -0.25 0.00 -0.50 0.00 0.00 54.79 51.24 1rge n ASP 84 Cb 0.34 -0.41 0.02 0.00 -1.14 0.00 0.00 41.12 39.94 1rge n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1rge n HIS 85 N -0.52 -1.87 -0.99 2.11 -0.00 -0.19 -3.09 115.22 110.67 1rge n HIS 85 Ca 0.20 0.72 0.00 0.00 -0.00 0.00 0.00 57.72 58.64 1rge n HIS 85 Cb 0.90 -3.97 0.00 0.00 -0.00 0.00 0.00 29.99 26.92 1rge n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1rge n TYR 86 N -4.22 0.00 0.03 1.57 4.01 -1.26 -4.93 117.16 112.36 1rge n TYR 86 Ca -0.24 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.31 1rge n TYR 86 Cb 0.66 -0.04 -0.12 0.00 -0.31 0.00 0.00 39.34 39.53 1rge n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rge h ALA 87 N 0.00 0.03 -2.94 -0.72 0.00 -1.96 -3.47 119.26 110.21 1rge h ALA 87 Ca 0.00 -0.65 -0.28 0.00 0.00 0.00 0.00 54.91 53.98 1rge h ALA 87 Cb 0.00 0.06 -0.19 0.00 0.00 0.00 0.00 17.79 17.66 1rge h ALA 87 CO 0.00 0.46 -0.73 0.95 0.00 0.00 0.00 179.25 179.92 1rge s THR 88 N -3.03 0.69 0.04 0.00 -4.23 -1.26 -5.05 115.64 102.80 1rge s THR 88 Ca -0.12 -1.36 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 1rge s THR 88 Cb 0.04 -0.98 -0.02 0.00 1.34 0.00 0.00 72.50 72.87 1rge s THR 88 CO 0.86 -0.49 -0.07 -0.36 -0.54 0.00 0.00 174.62 174.01 1rge s PHE 89 N -1.98 0.65 0.04 3.99 0.40 -1.26 -4.39 117.98 115.44 1rge s PHE 89 Ca -0.02 -0.53 0.06 0.00 -0.60 0.00 0.00 56.93 55.83 1rge s PHE 89 Cb -0.06 -0.39 -0.02 0.00 0.51 0.00 0.00 43.02 43.05 1rge s PHE 89 CO -0.01 -0.10 -0.16 -1.12 0.70 0.00 0.00 175.22 174.54 1rge s SER 90 N -1.66 1.91 0.21 1.36 0.01 -0.36 -0.49 113.70 114.68 1rge s SER 90 Ca -0.09 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 1rge s SER 90 Cb -0.09 -0.13 -0.08 0.00 0.21 0.00 0.00 66.02 65.93 1rge s SER 90 CO -0.00 0.06 1.08 -0.76 0.41 0.00 0.00 173.24 174.03 1rge s LEU 91 N -1.19 4.53 -0.09 2.44 1.43 0.11 -0.39 118.68 125.52 1rge s LEU 91 Ca 0.03 2.11 -0.21 0.00 -1.03 0.00 0.00 54.13 55.04 1rge s LEU 91 Cb -0.08 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1rge s LEU 91 CO 0.02 -0.15 0.59 -0.63 0.23 0.00 0.00 176.35 176.41 1rge s ILE 92 N -0.61 5.11 -0.41 -0.59 1.01 -0.06 -0.55 121.20 125.09 1rge s ILE 92 Ca 0.47 1.20 -0.10 0.00 0.00 0.00 0.00 60.65 62.22 1rge s ILE 92 Cb -0.29 -3.93 0.07 0.00 0.01 0.00 0.00 42.46 38.31 1rge s ILE 92 CO 0.36 0.29 0.26 -0.62 0.00 0.00 0.00 174.94 175.23 1rge s ASP 93 N 0.67 5.70 0.00 3.58 -1.08 -0.06 -4.70 116.67 120.77 1rge s ASP 93 Ca 0.32 -1.38 0.23 0.00 -0.52 0.00 0.00 52.55 51.19 1rge s ASP 93 Cb -0.16 -2.01 1.16 0.00 -1.46 0.00 0.00 42.92 40.45 1rge s ASP 93 CO 0.14 -0.51 1.74 0.00 0.52 0.00 0.00 175.17 177.06 1rge n GLN 94 N 4.96 0.35 0.00 4.34 6.02 -1.26 -1.02 117.38 130.77 1rge n GLN 94 Ca -0.11 0.07 0.13 0.00 -0.01 0.00 0.00 57.00 57.09 1rge n GLN 94 Cb 0.44 -1.50 0.49 0.00 1.02 0.00 0.00 30.24 30.68 1rge n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1rge n THR 95 N -1.27 0.00 -1.28 5.09 -2.24 -1.26 -4.89 114.28 108.43 1rge n THR 95 Ca 0.11 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1rge n THR 95 Cb 0.17 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1rge n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50