#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2i s VAL 2 N 0.00 3.56 0.23 5.18 1.01 -1.23 -4.75 120.40 124.40 1t2i s VAL 2 Ca 0.00 1.56 -0.06 0.00 0.00 0.00 0.00 61.98 63.49 1t2i s VAL 2 Cb 0.00 -3.99 0.15 0.00 0.00 0.00 0.00 36.38 32.54 1t2i s VAL 2 CO 0.00 0.37 1.78 0.28 0.00 0.00 0.00 175.10 177.53 1t2i h SER 3 N 3.82 1.00 0.00 3.32 0.02 -1.13 -3.49 113.55 117.09 1t2i h SER 3 Ca -0.47 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 1t2i h SER 3 Cb 1.21 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1t2i h SER 3 CO 0.67 0.92 0.00 0.61 -1.14 0.00 0.00 176.83 177.89 1t2i n GLY 4 N -0.84 -1.78 3.17 -3.77 0.00 -1.26 -5.06 105.19 95.65 1t2i n GLY 4 Ca 0.06 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 1t2i n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t2i s THR 5 N -2.61 2.52 -0.11 2.61 2.01 -1.26 -1.27 115.64 117.54 1t2i s THR 5 Ca 0.00 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 60.98 1t2i s THR 5 Cb 0.00 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1t2i s THR 5 CO 0.00 0.35 0.06 0.54 -0.69 0.00 0.00 174.62 174.88 1t2i s VAL 6 N 1.31 4.79 0.28 3.82 0.11 0.20 -4.88 120.40 126.03 1t2i s VAL 6 Ca 0.02 -0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 1t2i s VAL 6 Cb -0.15 -3.07 -0.10 0.00 -1.53 0.00 0.00 36.38 31.53 1t2i s VAL 6 CO -0.08 0.58 1.41 0.00 -3.33 0.00 0.00 175.10 173.68 1t2i h LEU 8 N 4.44 0.65 -1.57 0.00 5.85 -0.69 -0.29 115.31 123.71 1t2i h LEU 8 Ca -0.47 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1t2i h LEU 8 Cb 1.22 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1t2i h LEU 8 CO 0.73 0.38 0.00 0.77 -0.34 0.00 0.00 178.44 179.98 1t2i h SER 9 N 0.72 0.00 0.30 1.25 4.64 -1.62 -1.82 113.55 117.02 1t2i h SER 9 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1t2i h SER 9 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1t2i h SER 9 CO -0.15 0.00 -0.27 0.00 -0.87 0.00 0.00 176.83 175.54 1t2i n ALA 10 N -1.99 3.09 -2.37 5.18 0.00 -0.12 -4.89 120.51 119.41 1t2i n ALA 10 Ca 0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.84 1t2i n ALA 10 Cb 0.22 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.51 1t2i n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t2i s LEU 11 N -2.58 3.69 0.57 0.00 1.43 -0.68 -5.01 118.68 116.11 1t2i s LEU 11 Ca 0.23 0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 53.48 1t2i s LEU 11 Cb 0.19 -3.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 1t2i s LEU 11 CO 0.54 -0.64 1.14 -2.65 0.23 0.00 0.00 176.35 174.97 1t2i n PRO 12 N -2.05 1.23 0.30 1.29 -0.02 -1.26 -4.85 135.00 129.63 1t2i n PRO 12 Ca 0.00 0.46 0.17 0.00 -2.02 0.00 0.00 63.50 62.12 1t2i n PRO 12 Cb 0.57 -2.34 0.99 0.00 -0.02 0.00 0.00 33.50 32.70 1t2i n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1t2i h PRO 13 N 0.90 0.00 0.00 0.52 0.13 -1.94 -0.77 132.00 130.84 1t2i h PRO 13 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1t2i h PRO 13 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1t2i h PRO 13 CO 0.54 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.21 1t2i h GLU 14 N 0.00 0.00 -0.60 0.86 3.07 -1.89 -1.76 114.58 114.27 1t2i h GLU 14 Ca 0.01 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1t2i h GLU 14 Cb 0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1t2i h GLU 14 CO -0.00 0.03 0.12 0.00 -1.40 0.00 0.00 179.01 177.75 1t2i h ALA 15 N 1.97 1.08 -0.62 3.43 0.00 -1.48 -1.27 119.26 122.37 1t2i h ALA 15 Ca -0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1t2i h ALA 15 Cb 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1t2i h ALA 15 CO 0.00 0.60 0.10 1.15 0.00 0.00 0.00 179.25 181.10 1t2i h THR 16 N 0.90 1.26 -0.70 0.00 2.02 -1.48 -1.52 112.91 113.39 1t2i h THR 16 Ca 0.19 -1.00 0.03 0.00 0.77 0.00 0.00 66.41 66.40 1t2i h THR 16 Cb 0.37 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1t2i h THR 16 CO 0.01 0.37 0.44 0.44 0.37 0.00 0.00 175.52 177.15 1t2i h ASP 17 N 0.95 0.73 -0.50 4.18 3.32 -1.33 -1.07 116.42 122.70 1t2i h ASP 17 Ca 0.19 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1t2i h ASP 17 Cb 0.42 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1t2i h ASP 17 CO 0.01 0.51 0.19 0.74 -1.72 0.00 0.00 179.24 178.97 1t2i h THR 18 N 0.87 1.22 -0.99 0.35 2.02 -0.93 -1.55 112.91 113.90 1t2i h THR 18 Ca 0.28 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.80 1t2i h THR 18 Cb 0.01 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 1t2i h THR 18 CO -0.11 0.26 0.65 -0.07 0.37 0.00 0.00 175.52 176.62 1t2i h LEU 19 N 0.68 1.11 -0.47 2.58 3.38 -0.83 0.48 115.31 122.22 1t2i h LEU 19 Ca 0.17 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1t2i h LEU 19 Cb 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1t2i h LEU 19 CO -0.01 0.78 0.30 0.78 0.09 0.00 0.00 178.44 180.38 1t2i h ASN 20 N 1.30 0.56 0.26 -0.43 2.35 -0.71 -2.05 115.58 116.86 1t2i h ASN 20 Ca 0.38 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.95 1t2i h ASN 20 Cb -0.09 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1t2i h ASN 20 CO -0.10 0.44 -0.52 -0.07 -1.65 0.00 0.00 177.43 175.53 1t2i h LEU 21 N 0.64 0.32 -0.55 1.61 3.38 -0.65 -1.92 115.31 118.14 1t2i h LEU 21 Ca 0.17 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1t2i h LEU 21 Cb -0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1t2i h LEU 21 CO -0.03 0.79 0.34 0.40 0.09 0.00 0.00 178.44 180.03 1t2i h ILE 22 N 0.23 1.09 -0.20 1.22 2.04 -0.72 0.69 117.51 121.87 1t2i h ILE 22 Ca 0.01 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 1t2i h ILE 22 Cb 1.00 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1t2i h ILE 22 CO 0.08 0.13 -0.13 0.00 0.00 0.00 0.00 178.15 178.23 1t2i h ALA 23 N 1.22 1.41 -0.14 1.87 0.00 -0.83 -2.36 119.26 120.44 1t2i h ALA 23 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1t2i h ALA 23 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1t2i h ALA 23 CO -0.07 0.41 0.00 -1.13 0.00 0.00 0.00 179.25 178.46 1t2i n SER 24 N -4.24 2.32 -3.99 0.00 3.41 -0.77 -4.94 113.62 105.40 1t2i n SER 24 Ca -0.00 -1.78 -0.27 0.00 -0.26 0.00 0.00 58.87 56.55 1t2i n SER 24 Cb 0.29 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 1t2i n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1t2i n ASP 25 N 0.78 -0.99 0.00 4.04 4.64 -0.28 -4.77 116.55 119.97 1t2i n ASP 25 Ca 0.17 -0.99 0.00 0.00 -1.38 0.00 0.00 54.79 52.59 1t2i n ASP 25 Cb 0.46 -3.06 0.00 0.00 -1.04 0.00 0.00 41.12 37.48 1t2i n ASP 25 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1t2i n GLY 26 N -1.87 -1.12 3.77 0.27 0.00 0.08 -4.82 105.19 101.49 1t2i n GLY 26 Ca -0.23 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.30 1t2i n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1t2i s PRO 27 N 0.00 3.64 -0.05 1.61 0.04 -1.26 -4.88 135.00 134.10 1t2i s PRO 27 Ca 0.00 1.67 -0.03 0.00 0.04 0.00 0.00 61.00 62.68 1t2i s PRO 27 Cb 0.00 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1t2i s PRO 27 CO 0.00 -0.63 0.12 -0.06 0.04 0.00 0.00 177.00 176.47 1t2i s PHE 28 N -1.66 3.44 -0.00 0.56 0.08 -1.26 -5.00 117.98 114.13 1t2i s PHE 28 Ca 0.67 0.34 0.26 0.00 0.12 0.00 0.00 56.93 58.33 1t2i s PHE 28 Cb -0.26 -1.83 0.90 0.00 -0.57 0.00 0.00 43.02 41.26 1t2i s PHE 28 CO 0.30 0.63 1.81 -1.00 -0.10 0.00 0.00 175.22 176.86 1t2i h PRO 29 N 4.38 0.00 -5.49 0.24 0.13 -1.99 -3.45 132.00 125.82 1t2i h PRO 29 Ca -0.51 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.16 1t2i h PRO 29 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 1t2i h PRO 29 CO 0.62 0.13 -0.80 0.71 -0.23 0.00 0.00 178.00 178.43 1t2i s TYR 30 N -3.52 1.34 0.40 1.56 2.02 -1.26 -5.04 117.35 112.85 1t2i s TYR 30 Ca 0.02 -0.38 0.07 0.00 -0.37 0.00 0.00 57.07 56.41 1t2i s TYR 30 Cb 0.09 -0.78 0.83 0.00 -0.40 0.00 0.00 41.96 41.69 1t2i s TYR 30 CO 0.62 0.06 2.01 0.66 -1.57 0.00 0.00 175.55 177.33 1t2i h SER 31 N 4.72 0.41 0.20 2.29 4.64 -2.04 -1.70 113.55 122.08 1t2i h SER 31 Ca -0.40 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1t2i h SER 31 Cb 1.18 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1t2i h SER 31 CO 0.43 0.37 -0.00 0.00 -0.87 0.00 0.00 176.83 176.75 1t2i n GLN 32 N -4.42 0.80 -2.10 4.77 6.02 -1.26 -4.81 117.38 116.38 1t2i n GLN 32 Ca 0.02 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 1t2i n GLN 32 Cb 0.12 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 1t2i n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1t2i s ASP 33 N -2.20 6.76 0.00 1.08 1.01 -0.64 -2.64 116.67 120.03 1t2i s ASP 33 Ca 0.41 2.38 0.00 0.00 0.71 0.00 0.00 52.55 56.05 1t2i s ASP 33 Cb 0.21 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1t2i s ASP 33 CO 0.40 -0.72 0.00 0.61 0.21 0.00 0.00 175.17 175.68 1t2i n GLY 34 N 3.61 0.83 3.78 0.21 0.00 0.64 -5.00 105.19 109.26 1t2i n GLY 34 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1t2i n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1t2i s VAL 35 N -2.68 3.46 0.25 1.61 -7.23 -1.08 -4.70 120.40 110.02 1t2i s VAL 35 Ca 0.00 0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 60.43 1t2i s VAL 35 Cb 0.00 -3.10 -0.10 0.00 0.56 0.00 0.00 36.38 33.74 1t2i s VAL 35 CO 0.00 -0.53 1.40 -0.69 -0.31 0.00 0.00 175.10 174.97 1t2i s VAL 36 N -2.69 2.75 -0.21 1.32 1.01 -1.26 -1.36 120.40 119.95 1t2i s VAL 36 Ca 0.63 0.64 -0.15 0.00 0.00 0.00 0.00 61.98 63.10 1t2i s VAL 36 Cb -0.18 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1t2i s VAL 36 CO 0.49 0.11 0.35 0.12 0.00 0.00 0.00 175.10 176.17 1t2i s PHE 37 N -0.12 3.35 -0.42 5.22 5.36 -0.24 -4.78 117.98 126.35 1t2i s PHE 37 Ca 0.58 0.53 0.23 0.00 -0.96 0.00 0.00 56.93 57.30 1t2i s PHE 37 Cb -0.41 -2.48 0.32 0.00 -0.34 0.00 0.00 43.02 40.11 1t2i s PHE 37 CO 0.44 -0.02 1.58 1.96 -1.46 0.00 0.00 175.22 177.72 1t2i h GLN 38 N 7.47 0.00 -6.24 10.12 4.20 -1.95 -3.41 115.11 125.30 1t2i h GLN 38 Ca -0.36 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 57.89 1t2i h GLN 38 Cb 1.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 1t2i h GLN 38 CO 0.70 0.01 -0.80 -1.71 -0.67 0.00 0.00 178.83 176.36 1t2i n ASN 39 N -3.08 -3.03 0.28 1.46 5.15 -1.26 -4.85 115.26 109.93 1t2i n ASN 39 Ca 0.04 -0.82 0.17 0.00 -0.60 0.00 0.00 54.58 53.37 1t2i n ASN 39 Cb 0.53 -3.87 0.78 0.00 -0.53 0.00 0.00 39.78 36.70 1t2i n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1t2i h ARG 40 N -1.98 0.00 -0.25 1.20 3.08 -1.99 -2.32 114.38 112.12 1t2i h ARG 40 Ca -0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1t2i h ARG 40 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1t2i h ARG 40 CO 0.63 0.05 0.00 0.39 -1.07 0.00 0.00 179.97 179.97 1t2i n GLU 41 N -3.23 2.07 -2.49 0.04 1.02 -1.26 -4.95 120.64 111.84 1t2i n GLU 41 Ca -0.01 -1.61 -0.19 0.00 -0.02 0.00 0.00 57.16 55.34 1t2i n GLU 41 Cb 0.26 -1.44 -0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1t2i n GLU 41 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1t2i n SER 42 N 0.84 -5.33 -0.06 1.62 7.64 -0.87 -4.88 113.62 112.57 1t2i n SER 42 Ca 0.17 0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.93 1t2i n SER 42 Cb 0.45 -4.45 -0.06 0.00 -1.01 0.00 0.00 64.21 59.14 1t2i n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1t2i h VAL 43 N -0.14 1.33 -3.51 0.44 2.07 -1.91 -3.22 116.25 111.30 1t2i h VAL 43 Ca -0.44 -1.26 -0.49 0.00 0.82 0.00 0.00 66.70 65.33 1t2i h VAL 43 Cb 1.32 1.76 0.03 0.00 -1.52 0.00 0.00 31.29 32.89 1t2i h VAL 43 CO 0.52 0.38 0.09 -0.76 0.02 0.00 0.00 177.57 177.81 1t2i s LEU 44 N -9.14 3.65 0.36 2.57 1.43 -1.26 0.07 118.68 116.35 1t2i s LEU 44 Ca -0.14 0.88 -0.27 0.00 -1.03 0.00 0.00 54.13 53.58 1t2i s LEU 44 Cb 0.06 -3.83 -0.12 0.00 0.03 0.00 0.00 46.19 42.33 1t2i s LEU 44 CO 0.76 -0.57 1.18 -2.65 0.23 0.00 0.00 176.35 175.30 1t2i n PRO 45 N -2.23 1.80 -1.94 1.29 -0.02 -1.26 -4.85 135.00 127.79 1t2i n PRO 45 Ca 0.00 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 1t2i n PRO 45 Cb 0.55 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1t2i n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t2i s THR 46 N -1.14 2.56 0.23 3.45 2.01 -1.26 -4.99 115.64 116.49 1t2i s THR 46 Ca 0.58 0.43 -0.05 0.00 0.31 0.00 0.00 61.69 62.97 1t2i s THR 46 Cb -0.58 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1t2i s THR 46 CO 0.60 0.05 0.28 -1.10 -0.69 0.00 0.00 174.62 173.76 1t2i s GLN 47 N 0.40 1.39 0.57 4.92 -1.52 -1.26 -5.14 119.66 119.02 1t2i s GLN 47 Ca 0.65 -1.53 -0.19 0.00 -1.95 0.00 0.00 55.36 52.34 1t2i s GLN 47 Cb -0.44 0.35 -0.06 0.00 -0.22 0.00 0.00 33.01 32.64 1t2i s GLN 47 CO 0.38 -0.52 0.87 -1.13 -0.25 0.00 0.00 175.29 174.64 1t2i n SER 48 N -0.45 0.41 -4.65 5.90 3.41 -1.26 -4.88 113.62 112.10 1t2i n SER 48 Ca 0.01 0.82 -0.47 0.00 -0.26 0.00 0.00 58.87 58.96 1t2i n SER 48 Cb 0.64 -1.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.21 1t2i n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t2i n TYR 49 N -1.58 2.10 0.00 7.33 9.36 -1.26 -1.46 117.16 131.65 1t2i n TYR 49 Ca 0.13 0.35 0.00 0.00 3.32 0.00 0.00 57.90 61.70 1t2i n TYR 49 Cb 0.46 -2.50 0.00 0.00 -0.63 0.00 0.00 39.34 36.68 1t2i n TYR 49 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1t2i n GLY 50 N 3.24 0.48 0.30 2.98 0.00 -1.26 -4.93 105.19 106.00 1t2i n GLY 50 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1t2i n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1t2i h TYR 51 N 0.00 0.93 -3.40 1.61 5.03 -1.59 -3.44 116.97 116.12 1t2i h TYR 51 Ca 0.00 -0.11 -0.68 0.00 2.58 0.00 0.00 58.73 60.52 1t2i h TYR 51 Cb 0.00 -0.26 -0.16 0.00 1.55 0.00 0.00 36.73 37.85 1t2i h TYR 51 CO 0.00 0.81 -0.64 0.71 -1.32 0.00 0.00 178.16 177.72 1t2i s TYR 52 N -5.13 3.10 0.15 -3.82 2.02 -1.26 -3.84 117.35 108.57 1t2i s TYR 52 Ca -0.10 0.11 0.06 0.00 -0.37 0.00 0.00 57.07 56.77 1t2i s TYR 52 Cb 0.15 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 1t2i s TYR 52 CO 0.82 0.39 -0.14 -1.01 -1.57 0.00 0.00 175.55 174.03 1t2i s HIS 53 N -0.73 1.50 0.10 2.71 3.76 -0.93 -1.08 115.29 120.62 1t2i s HIS 53 Ca 0.11 -0.57 0.10 0.00 -0.15 0.00 0.00 55.06 54.55 1t2i s HIS 53 Cb -0.11 -0.76 -0.04 0.00 1.11 0.00 0.00 32.58 32.78 1t2i s HIS 53 CO 0.02 0.20 -0.25 -1.83 -0.85 0.00 0.00 174.74 172.03 1t2i s GLU 54 N -3.01 1.59 -0.05 1.40 -1.05 -0.46 -0.90 118.70 116.23 1t2i s GLU 54 Ca 0.13 -1.24 -0.05 0.00 -0.15 0.00 0.00 54.97 53.66 1t2i s GLU 54 Cb -0.03 -1.96 0.01 0.00 -0.44 0.00 0.00 34.13 31.71 1t2i s GLU 54 CO 0.04 0.48 0.13 0.71 0.95 0.00 0.00 175.26 177.57 1t2i s TYR 55 N -0.99 -0.13 0.27 4.83 1.51 -0.15 -0.26 117.35 122.44 1t2i s TYR 55 Ca 0.14 0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 56.22 1t2i s TYR 55 Cb -0.10 0.04 -0.10 0.00 -0.11 0.00 0.00 41.96 41.69 1t2i s TYR 55 CO 0.05 -0.09 1.28 0.99 -1.11 0.00 0.00 175.55 176.67 1t2i s THR 56 N -0.05 3.04 -0.38 -0.71 2.01 -1.26 -0.90 115.64 117.40 1t2i s THR 56 Ca -0.01 0.96 -0.13 0.00 0.31 0.00 0.00 61.69 62.82 1t2i s THR 56 Cb -0.02 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1t2i s THR 56 CO 0.00 0.19 0.24 -0.69 -0.69 0.00 0.00 174.62 173.68 1t2i s VAL 57 N -0.61 4.93 0.30 3.82 1.01 -0.63 -4.76 120.40 124.46 1t2i s VAL 57 Ca 0.52 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 1t2i s VAL 57 Cb -0.37 -3.70 -0.12 0.00 0.00 0.00 0.00 36.38 32.20 1t2i s VAL 57 CO 0.45 -0.21 1.58 -0.38 0.00 0.00 0.00 175.10 176.54 1t2i n ILE 58 N 5.07 1.16 -3.28 2.22 5.41 -1.26 -4.37 119.36 124.31 1t2i n ILE 58 Ca -0.12 -0.29 -0.43 0.00 1.00 0.00 0.00 62.75 62.91 1t2i n ILE 58 Cb 0.47 -1.96 -0.08 0.00 -0.71 0.00 0.00 39.64 37.36 1t2i n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1t2i s THR 59 N -0.16 5.03 0.30 1.39 2.01 -1.26 -4.79 115.64 118.16 1t2i s THR 59 Ca 0.63 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 1t2i s THR 59 Cb -0.50 -4.08 -0.12 0.00 0.01 0.00 0.00 72.50 67.81 1t2i s THR 59 CO 0.51 -0.47 1.44 -2.65 -0.69 0.00 0.00 174.62 172.76 1t2i n PRO 60 N 5.74 2.32 -0.17 4.92 -0.02 -1.26 -1.89 135.00 144.64 1t2i n PRO 60 Ca -0.06 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1t2i n PRO 60 Cb 0.47 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1t2i n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t2i n GLY 61 N 1.63 2.42 3.73 -1.23 0.00 -1.26 -5.00 105.19 105.48 1t2i n GLY 61 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1t2i n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t2i s ALA 62 N -3.08 3.35 0.10 4.61 0.00 -0.79 -4.95 121.76 121.00 1t2i s ALA 62 Ca 0.00 0.77 -0.09 0.00 0.00 0.00 0.00 51.96 52.65 1t2i s ALA 62 Cb 0.00 -3.35 -0.17 0.00 0.00 0.00 0.00 23.12 19.60 1t2i s ALA 62 CO 0.00 -0.20 1.24 0.00 0.00 0.00 0.00 175.76 176.80 1t2i h ARG 63 N 5.33 0.54 0.00 0.00 3.08 -1.95 -3.47 114.38 117.91 1t2i h ARG 63 Ca -0.44 -0.60 -0.11 0.00 0.07 0.00 0.00 59.98 58.90 1t2i h ARG 63 Cb 1.21 0.17 0.01 0.00 0.08 0.00 0.00 29.97 31.45 1t2i h ARG 63 CO 0.73 1.22 -0.00 0.25 -1.07 0.00 0.00 179.97 181.10 1t2i n THR 64 N -3.78 0.00 -0.19 2.04 -2.24 -1.26 -5.01 114.28 103.83 1t2i n THR 64 Ca -0.09 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.19 1t2i n THR 64 Cb 0.87 -1.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.12 1t2i n THR 64 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1t2i h ARG 65 N 0.00 0.80 0.00 -0.78 2.43 -1.98 -3.46 114.38 111.40 1t2i h ARG 65 Ca -0.07 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1t2i h ARG 65 Cb 0.29 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1t2i h ARG 65 CO 0.09 0.71 0.00 0.41 -1.51 0.00 0.00 179.97 179.66 1t2i n GLY 66 N -0.80 -1.81 0.33 2.80 0.00 -1.26 -4.22 105.19 100.24 1t2i n GLY 66 Ca 0.02 -1.78 0.04 0.00 0.00 0.00 0.00 46.02 44.30 1t2i n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t2i n THR 67 N 0.00 0.41 -3.85 2.61 -2.24 -1.26 -4.97 114.28 104.97 1t2i n THR 67 Ca 0.00 -0.70 -0.36 0.00 -2.27 0.00 0.00 64.05 60.72 1t2i n THR 67 Cb 0.00 0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 1t2i n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1t2i s ARG 68 N -0.75 3.75 0.06 -0.78 0.52 -1.26 -1.09 118.95 119.40 1t2i s ARG 68 Ca 0.11 -0.19 -0.09 0.00 -0.52 0.00 0.00 55.73 55.04 1t2i s ARG 68 Cb 0.07 -3.27 -0.00 0.00 0.52 0.00 0.00 34.95 32.27 1t2i s ARG 68 CO 0.09 0.55 0.18 1.03 0.02 0.00 0.00 175.30 177.18 1t2i s ARG 69 N -0.38 0.75 -0.12 3.54 1.81 -0.03 -1.61 118.95 122.92 1t2i s ARG 69 Ca 0.11 -0.79 0.00 0.00 -1.72 0.00 0.00 55.73 53.33 1t2i s ARG 69 Cb -0.12 0.31 -0.02 0.00 -0.45 0.00 0.00 34.95 34.67 1t2i s ARG 69 CO 0.01 -0.23 -0.12 0.42 -0.68 0.00 0.00 175.30 174.71 1t2i s ILE 70 N -3.17 3.16 -0.19 1.52 1.01 -0.08 -1.21 121.20 122.23 1t2i s ILE 70 Ca -0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 1t2i s ILE 70 Cb 0.02 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1t2i s ILE 70 CO -0.07 0.53 0.05 -0.63 0.00 0.00 0.00 174.94 174.82 1t2i s ILE 71 N 0.17 4.53 0.03 2.92 1.09 0.05 -0.97 121.20 129.01 1t2i s ILE 71 Ca -0.07 -0.12 -0.17 0.00 -1.10 0.00 0.00 60.65 59.20 1t2i s ILE 71 Cb -0.15 -3.05 -0.06 0.00 -1.06 0.00 0.00 42.46 38.14 1t2i s ILE 71 CO 0.05 0.44 0.47 0.42 -0.10 0.00 0.00 174.94 176.22 1t2i s THR 72 N 0.64 4.91 0.59 2.92 -4.23 -0.07 -0.56 115.64 119.83 1t2i s THR 72 Ca 0.02 1.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.61 1t2i s THR 72 Cb -0.13 -3.79 0.08 0.00 1.34 0.00 0.00 72.50 70.00 1t2i s THR 72 CO 0.02 0.57 0.69 -0.83 -0.54 0.00 0.00 174.62 174.52 1t2i s GLY 73 N -1.09 1.94 0.26 3.99 0.00 -0.01 -2.19 107.32 110.21 1t2i s GLY 73 Ca 0.26 -1.85 0.18 0.00 0.00 0.00 0.00 44.72 43.31 1t2i s GLY 73 CO 0.16 -1.80 1.30 0.83 0.00 0.00 0.00 173.10 173.58 1t2i h GLU 74 N 0.31 0.00 -7.55 2.90 5.08 -1.81 -3.43 114.58 110.07 1t2i h GLU 74 Ca -0.31 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.58 1t2i h GLU 74 Cb 1.30 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.65 1t2i h GLU 74 CO 0.46 0.30 0.39 0.00 -1.00 0.00 0.00 179.01 179.15 1t2i s ALA 75 N -3.05 2.54 -0.11 3.43 0.00 -1.26 -4.92 121.76 118.38 1t2i s ALA 75 Ca 0.03 -0.53 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 1t2i s ALA 75 Cb 0.08 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 1t2i s ALA 75 CO 0.75 -1.65 1.79 -0.46 0.00 0.00 0.00 175.76 176.19 1t2i s TRP 76 N -3.45 1.75 -0.77 0.00 -0.11 -1.26 -1.36 118.94 113.74 1t2i s TRP 76 Ca 0.61 0.22 0.00 0.00 1.22 0.00 0.00 56.10 58.15 1t2i s TRP 76 Cb -0.12 -4.01 0.00 0.00 -1.50 0.00 0.00 33.47 27.84 1t2i s TRP 76 CO 0.51 -3.95 0.00 1.04 -4.62 0.00 0.00 176.95 169.92 1t2i n GLN 77 N 7.63 -0.97 -2.69 5.86 6.02 -1.26 -4.95 117.38 127.03 1t2i n GLN 77 Ca 0.20 0.67 -0.42 0.00 -0.01 0.00 0.00 57.00 57.44 1t2i n GLN 77 Cb 0.44 -4.62 -0.03 0.00 1.02 0.00 0.00 30.24 27.04 1t2i n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1t2i s GLU 78 N -2.27 3.51 -0.00 -1.09 2.12 -0.47 -4.82 118.70 115.68 1t2i s GLU 78 Ca 0.00 -1.18 0.01 0.00 0.36 0.00 0.00 54.97 54.15 1t2i s GLU 78 Cb 0.00 -5.02 -0.00 0.00 0.26 0.00 0.00 34.13 29.37 1t2i s GLU 78 CO 0.00 -2.05 -0.03 -0.51 -0.54 0.00 0.00 175.26 172.13 1t2i s ASP 79 N 4.36 0.32 -0.03 -1.70 1.01 -1.26 -0.83 116.67 118.55 1t2i s ASP 79 Ca 0.39 -0.07 0.06 0.00 0.71 0.00 0.00 52.55 53.65 1t2i s ASP 79 Cb -0.04 -0.03 -0.01 0.00 1.01 0.00 0.00 42.92 43.85 1t2i s ASP 79 CO -0.06 0.02 -0.21 -0.31 0.21 0.00 0.00 175.17 174.83 1t2i s TYR 80 N -0.11 1.94 -0.11 4.23 2.02 0.28 -0.99 117.35 124.61 1t2i s TYR 80 Ca 0.01 -0.43 -0.04 0.00 -0.37 0.00 0.00 57.07 56.24 1t2i s TYR 80 Cb -0.01 -1.26 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 1t2i s TYR 80 CO -0.00 -0.08 0.04 -0.47 -1.57 0.00 0.00 175.55 173.47 1t2i s TYR 81 N -0.36 3.28 -0.04 2.71 5.04 0.30 -0.77 117.35 127.51 1t2i s TYR 81 Ca 0.05 0.25 0.04 0.00 -2.44 0.00 0.00 57.07 54.96 1t2i s TYR 81 Cb -0.09 -1.87 -0.00 0.00 0.35 0.00 0.00 41.96 40.35 1t2i s TYR 81 CO 0.00 0.48 -0.15 -0.08 -1.34 0.00 0.00 175.55 174.46 1t2i s THR 82 N -0.72 1.29 -0.65 4.34 -1.32 -0.35 -1.46 115.64 116.77 1t2i s THR 82 Ca 0.12 -0.64 0.19 0.00 -1.21 0.00 0.00 61.69 60.15 1t2i s THR 82 Cb -0.12 -1.12 -0.23 0.00 -1.51 0.00 0.00 72.50 69.52 1t2i s THR 82 CO 0.02 0.38 0.70 0.61 -2.21 0.00 0.00 174.62 174.13 1t2i n GLY 83 N 3.22 -0.82 1.97 6.08 0.00 -1.26 -0.85 105.19 113.52 1t2i n GLY 83 Ca -0.18 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 1t2i n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t2i n ASP 84 N -1.65 5.10 -3.57 1.61 5.68 -1.23 -4.22 116.55 118.25 1t2i n ASP 84 Ca 0.02 -3.77 -0.21 0.00 -0.50 0.00 0.00 54.79 50.33 1t2i n ASP 84 Cb 0.36 -0.45 0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1t2i n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1t2i n HIS 85 N -0.78 -2.05 -0.75 2.11 -0.00 -0.25 -2.72 115.22 110.78 1t2i n HIS 85 Ca 0.45 0.81 0.00 0.00 -0.00 0.00 0.00 57.72 58.98 1t2i n HIS 85 Cb 0.91 -4.34 0.00 0.00 -0.00 0.00 0.00 29.99 26.56 1t2i n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1t2i n TYR 86 N -4.06 0.00 -0.07 1.57 4.01 -1.26 -4.88 117.16 112.47 1t2i n TYR 86 Ca -0.23 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.42 1t2i n TYR 86 Cb 0.66 -0.19 0.06 0.00 -0.31 0.00 0.00 39.34 39.55 1t2i n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1t2i h ALA 87 N 0.00 0.77 -2.73 -0.72 0.00 -1.93 -3.44 119.26 111.22 1t2i h ALA 87 Ca 0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 1t2i h ALA 87 Cb 0.00 -0.13 -0.19 0.00 0.00 0.00 0.00 17.79 17.47 1t2i h ALA 87 CO 0.00 0.65 -0.65 0.95 0.00 0.00 0.00 179.25 180.21 1t2i s THR 88 N -4.42 0.14 0.02 0.00 -4.23 -1.26 -5.04 115.64 100.85 1t2i s THR 88 Ca -0.09 -1.13 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 1t2i s THR 88 Cb 0.12 -0.67 -0.01 0.00 1.34 0.00 0.00 72.50 73.28 1t2i s THR 88 CO 0.85 -0.62 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.85 1t2i s PHE 89 N -2.22 0.87 0.03 3.99 0.08 -1.26 -4.34 117.98 115.14 1t2i s PHE 89 Ca -0.09 -0.27 0.09 0.00 0.12 0.00 0.00 56.93 56.78 1t2i s PHE 89 Cb -0.04 -0.54 -0.03 0.00 -0.57 0.00 0.00 43.02 41.85 1t2i s PHE 89 CO -0.03 -0.01 -0.25 -1.12 -0.10 0.00 0.00 175.22 173.70 1t2i s SER 90 N -0.74 2.97 0.34 1.36 0.01 -0.53 -0.42 113.70 116.70 1t2i s SER 90 Ca 0.00 -0.54 -0.28 0.00 1.31 0.00 0.00 55.95 56.44 1t2i s SER 90 Cb -0.06 -0.28 -0.10 0.00 0.21 0.00 0.00 66.02 65.79 1t2i s SER 90 CO 0.00 0.25 1.29 -0.76 0.41 0.00 0.00 173.24 174.43 1t2i s LEU 91 N -1.07 4.39 -0.27 2.44 1.43 -0.39 -0.53 118.68 124.66 1t2i s LEU 91 Ca 0.10 2.64 -0.18 0.00 -1.03 0.00 0.00 54.13 55.67 1t2i s LEU 91 Cb -0.10 -3.71 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 1t2i s LEU 91 CO 0.01 -0.57 0.52 -0.63 0.23 0.00 0.00 176.35 175.91 1t2i s ILE 92 N -1.18 5.05 -0.58 -0.59 1.01 -0.16 -0.62 121.20 124.13 1t2i s ILE 92 Ca 0.50 0.82 -0.21 0.00 0.00 0.00 0.00 60.65 61.76 1t2i s ILE 92 Cb -0.39 -3.85 0.07 0.00 0.01 0.00 0.00 42.46 38.30 1t2i s ILE 92 CO 0.51 0.04 0.82 -0.62 0.00 0.00 0.00 174.94 175.68 1t2i s ASP 93 N 1.58 6.22 0.00 3.58 -1.08 0.36 -4.77 116.67 122.56 1t2i s ASP 93 Ca 0.21 -0.94 0.22 0.00 -0.52 0.00 0.00 52.55 51.53 1t2i s ASP 93 Cb -0.16 -2.36 1.34 0.00 -1.46 0.00 0.00 42.92 40.28 1t2i s ASP 93 CO 0.10 -1.19 1.83 0.00 0.52 0.00 0.00 175.17 176.43 1t2i n GLN 94 N 6.97 0.95 -0.06 4.34 6.02 -1.26 -0.99 117.38 133.36 1t2i n GLN 94 Ca -0.05 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.07 1t2i n GLN 94 Cb 0.45 -1.37 0.21 0.00 1.02 0.00 0.00 30.24 30.56 1t2i n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1t2i n THR 95 N -0.87 0.15 -1.37 5.09 -2.24 -1.26 -4.91 114.28 108.87 1t2i n THR 95 Ca 0.17 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1t2i n THR 95 Cb 0.08 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1t2i n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50