#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i0y h GLU 3 N 0.00 0.82 -0.14 -1.46 4.39 -1.99 -1.40 114.58 114.80 3i0y h GLU 3 Ca 0.00 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 3i0y h GLU 3 Cb 0.00 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 3i0y h GLU 3 CO 0.00 0.54 -0.54 0.66 -1.16 0.00 0.00 179.01 178.51 3i0y h SER 4 N 0.84 0.45 -0.30 1.42 4.64 -1.99 -0.43 113.55 118.19 3i0y h SER 4 Ca 0.29 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3i0y h SER 4 Cb 0.06 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3i0y h SER 4 CO -0.12 0.90 0.18 0.78 -0.87 0.00 0.00 176.83 177.70 3i0y h ASN 5 N 0.32 0.36 -0.32 4.97 2.35 -1.79 -0.08 115.58 121.38 3i0y h ASN 5 Ca 0.01 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3i0y h ASN 5 Cb 1.05 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.31 3i0y h ASN 5 CO 0.09 0.30 0.20 0.03 -1.65 0.00 0.00 177.43 176.41 3i0y h ARG 6 N 0.39 0.41 -0.29 0.81 3.08 -1.05 -2.07 114.38 115.66 3i0y h ARG 6 Ca 0.11 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.15 3i0y h ARG 6 Cb 0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3i0y h ARG 6 CO -0.02 0.27 0.15 1.96 -1.07 0.00 0.00 179.97 181.26 3i0y h GLN 7 N 0.42 0.31 -0.55 0.04 4.20 -0.86 0.17 115.11 118.84 3i0y h GLN 7 Ca 0.12 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.91 3i0y h GLN 7 Cb -0.04 -0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.59 3i0y h GLN 7 CO -0.03 0.21 0.10 0.00 -0.67 0.00 0.00 178.83 178.44 3i0y h ARG 8 N 0.32 0.23 -0.03 1.46 3.08 -0.85 0.80 114.38 119.39 3i0y h ARG 8 Ca 0.12 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3i0y h ARG 8 Cb 0.02 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3i0y h ARG 8 CO -0.07 0.15 -0.10 0.00 -1.07 0.00 0.00 179.97 178.89 3i0y h ALA 9 N 1.44 0.06 -0.48 0.04 0.00 -0.97 -2.47 119.26 116.87 3i0y h ALA 9 Ca 0.28 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3i0y h ALA 9 Cb 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3i0y h ALA 9 CO -0.37 -0.06 -0.03 1.79 0.00 0.00 0.00 179.25 180.58 3i0y h THR 10 N -0.44 1.25 -0.85 0.00 1.35 -0.96 -2.52 112.91 110.73 3i0y h THR 10 Ca -0.00 -1.05 -0.02 0.00 -0.55 0.00 0.00 66.41 64.79 3i0y h THR 10 Cb 0.72 0.91 -0.04 0.00 -1.73 0.00 0.00 68.15 68.01 3i0y h THR 10 CO 0.02 0.37 0.47 1.23 -0.25 0.00 0.00 175.52 177.36 3i0y h GLY 11 N 0.98 1.27 0.85 5.82 0.00 -0.86 0.14 103.07 111.28 3i0y h GLY 11 Ca 0.14 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 3i0y h GLY 11 CO 0.02 0.55 -0.10 -2.00 0.00 0.00 0.00 176.54 175.02 3i0y h LEU 12 N 1.20 -0.23 -0.49 3.11 5.85 -1.27 -1.46 115.31 122.01 3i0y h LEU 12 Ca 0.30 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3i0y h LEU 12 Cb 0.03 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3i0y h LEU 12 CO -0.05 -0.03 0.01 0.58 -0.34 0.00 0.00 178.44 178.60 3i0y h VAL 13 N -0.43 1.26 -0.74 1.05 2.07 -1.20 -1.78 116.25 116.48 3i0y h VAL 13 Ca -0.03 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.50 3i0y h VAL 13 Cb 0.33 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 3i0y h VAL 13 CO 0.05 0.37 0.42 -0.61 0.02 0.00 0.00 177.57 177.82 3i0y h GLN 14 N 0.72 0.74 -0.40 1.57 5.75 -0.72 -2.17 115.11 120.60 3i0y h GLN 14 Ca 0.14 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.54 3i0y h GLN 14 Cb 0.50 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 3i0y h GLN 14 CO 0.02 0.49 0.04 0.00 -2.65 0.00 0.00 178.83 176.73 3i0y h ALA 15 N 1.38 1.32 -0.36 3.38 0.00 -0.94 0.41 119.26 124.44 3i0y h ALA 15 Ca 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i0y h ALA 15 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3i0y h ALA 15 CO -0.19 0.47 0.24 -0.92 0.00 0.00 0.00 179.25 178.84 3i0y h TYR 16 N 0.60 0.46 -0.07 0.00 3.20 -0.88 -0.06 116.97 120.22 3i0y h TYR 16 Ca 0.13 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.82 3i0y h TYR 16 Cb 0.32 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 3i0y h TYR 16 CO 0.01 0.30 -0.75 1.88 -1.64 0.00 0.00 178.16 177.96 3i0y h TYR 17 N 0.49 0.56 -0.74 -3.82 0.05 -0.91 -1.81 116.97 110.79 3i0y h TYR 17 Ca 0.13 -0.25 0.01 0.00 0.05 0.00 0.00 58.73 58.67 3i0y h TYR 17 Cb -0.04 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.58 3i0y h TYR 17 CO -0.05 1.02 0.49 0.93 -1.05 0.00 0.00 178.16 179.50 3i0y h GLU 18 N 0.27 0.98 -0.71 4.88 4.39 -0.68 -1.81 114.58 121.91 3i0y h GLU 18 Ca -0.04 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.67 3i0y h GLU 18 Cb 1.34 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.71 3i0y h GLU 18 CO 0.13 0.65 0.40 0.00 -1.16 0.00 0.00 179.01 179.03 3i0y h ALA 19 N 1.27 0.97 -0.49 3.43 0.00 -0.88 -2.01 119.26 121.55 3i0y h ALA 19 Ca 0.27 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3i0y h ALA 19 Cb -0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3i0y h ALA 19 CO -0.06 0.07 0.31 0.35 0.00 0.00 0.00 179.25 179.91 3i0y h PHE 20 N 0.72 0.57 0.00 0.00 3.57 -0.76 0.33 116.94 121.37 3i0y h PHE 20 Ca 0.33 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 3i0y h PHE 20 Cb 0.23 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 3i0y h PHE 20 CO -0.08 0.34 -0.15 -0.91 -2.23 0.00 0.00 178.31 175.29 3i0y h ASN 21 N 0.61 0.00 0.84 0.41 2.35 -0.93 -0.76 115.58 118.10 3i0y h ASN 21 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3i0y h ASN 21 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3i0y h ASN 21 CO -0.07 0.15 -0.11 0.54 -1.65 0.00 0.00 177.43 176.28 3i0y n ARG 22 N -3.75 0.05 -1.77 0.81 1.74 -0.79 -4.90 116.66 108.05 3i0y n ARG 22 Ca -0.02 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 56.94 3i0y n ARG 22 Cb 0.26 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 3i0y n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i0y n GLY 23 N 1.48 0.61 3.30 -0.13 0.00 -0.29 -4.94 105.19 105.22 3i0y n GLY 23 Ca 0.07 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 3i0y n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i0y n ASP 24 N -0.06 5.18 -0.01 1.61 -0.08 0.05 -4.81 116.55 118.43 3i0y n ASP 24 Ca -0.13 -3.01 -0.02 0.00 -1.51 0.00 0.00 54.79 50.12 3i0y n ASP 24 Cb 0.49 -1.55 0.23 0.00 2.34 0.00 0.00 41.12 42.63 3i0y n ASP 24 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3i0y h TRP 25 N 6.76 0.59 -0.74 -0.67 -0.00 -1.92 -2.70 115.95 117.26 3i0y h TRP 25 Ca 0.34 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.89 59.12 3i0y h TRP 25 Cb 0.80 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.16 29.77 3i0y h TRP 25 CO 1.15 0.65 0.38 -0.44 -0.00 0.00 0.00 178.44 180.18 3i0y h ASP 26 N 0.50 0.95 0.00 -3.49 3.32 -1.97 -1.07 116.42 114.66 3i0y h ASP 26 Ca 0.09 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3i0y h ASP 26 Cb 0.52 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3i0y h ASP 26 CO 0.03 0.80 0.00 0.00 -1.72 0.00 0.00 179.24 178.35 3i0y n ALA 27 N -2.37 1.60 0.00 3.45 0.00 -1.02 -1.52 120.51 120.65 3i0y n ALA 27 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3i0y n ALA 27 Cb 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3i0y n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i0y n LEU 29 N 0.86 0.00 0.25 0.00 4.77 -0.41 -2.43 117.00 120.04 3i0y n LEU 29 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3i0y n LEU 29 Cb 0.07 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.83 3i0y n LEU 29 CO 0.00 0.00 0.93 0.00 -1.33 0.00 0.00 177.39 176.99 3i0y h ALA 30 N 0.00 1.19 -0.00 -1.18 0.00 -1.54 -2.35 119.26 115.38 3i0y h ALA 30 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i0y h ALA 30 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i0y h ALA 30 CO 0.00 0.18 -0.30 1.19 0.00 0.00 0.00 179.25 180.32 3i0y n PHE 31 N -3.54 0.00 -3.76 0.00 3.72 -1.02 -4.86 117.46 108.00 3i0y n PHE 31 Ca -0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.02 3i0y n PHE 31 Cb 0.29 -0.21 -0.06 0.00 -0.94 0.00 0.00 39.48 38.55 3i0y n PHE 31 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3i0y s LEU 32 N -2.73 4.42 0.77 4.37 1.43 -0.89 -0.97 118.68 125.08 3i0y s LEU 32 Ca 0.19 0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 53.80 3i0y s LEU 32 Cb 0.19 -2.26 0.06 0.00 0.03 0.00 0.00 46.19 44.20 3i0y s LEU 32 CO 0.58 0.38 1.08 0.00 0.23 0.00 0.00 176.35 178.62 3i0y s ALA 33 N -1.06 2.28 0.32 4.21 0.00 0.11 -4.83 121.76 122.79 3i0y s ALA 33 Ca 0.18 0.01 0.30 0.00 0.00 0.00 0.00 51.96 52.46 3i0y s ALA 33 Cb -0.13 -3.18 1.43 0.00 0.00 0.00 0.00 23.12 21.23 3i0y s ALA 33 CO 0.08 -1.67 2.03 0.93 0.00 0.00 0.00 175.76 177.13 3i0y h GLU 34 N -1.05 0.00 -0.67 0.00 4.39 -1.96 -2.09 114.58 113.20 3i0y h GLU 34 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3i0y h GLU 34 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3i0y h GLU 34 CO 0.56 0.11 0.00 -0.40 -1.16 0.00 0.00 179.01 178.12 3i0y n ASP 35 N -3.41 4.48 -4.71 1.42 5.75 -1.26 -4.13 116.55 114.69 3i0y n ASP 35 Ca -0.01 -2.64 -0.43 0.00 -0.01 0.00 0.00 54.79 51.70 3i0y n ASP 35 Cb 0.27 -0.61 -0.02 0.00 -1.03 0.00 0.00 41.12 39.73 3i0y n ASP 35 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 3i0y n VAL 36 N 0.56 0.78 -4.25 2.12 3.14 -0.79 -4.68 118.33 115.22 3i0y n VAL 36 Ca 0.21 -0.19 -0.34 0.00 -2.96 0.00 0.00 64.34 61.05 3i0y n VAL 36 Cb 0.93 -1.76 -0.10 0.00 -1.06 0.00 0.00 33.84 31.84 3i0y n VAL 36 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i0y s ALA 37 N 0.20 3.25 -0.22 1.55 0.00 -0.33 -0.35 121.76 125.85 3i0y s ALA 37 Ca 0.68 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.88 3i0y s ALA 37 Cb -0.57 -1.66 0.04 0.00 0.00 0.00 0.00 23.12 20.93 3i0y s ALA 37 CO 0.46 0.33 -0.15 -1.58 0.00 0.00 0.00 175.76 174.81 3i0y s HIS 38 N -0.06 3.00 -0.42 0.00 2.46 0.26 -0.99 115.29 119.54 3i0y s HIS 38 Ca 0.04 -1.97 -0.16 0.00 0.47 0.00 0.00 55.06 53.44 3i0y s HIS 38 Cb -0.13 -1.92 0.02 0.00 -0.13 0.00 0.00 32.58 30.43 3i0y s HIS 38 CO 0.02 -0.84 0.34 -0.51 -2.47 0.00 0.00 174.74 171.28 3i0y s ASP 39 N 1.20 6.13 0.31 9.88 1.01 0.14 -0.31 116.67 135.04 3i0y s ASP 39 Ca -0.02 -0.89 -0.28 0.00 0.71 0.00 0.00 52.55 52.07 3i0y s ASP 39 Cb -0.16 -2.18 -0.09 0.00 1.01 0.00 0.00 42.92 41.49 3i0y s ASP 39 CO -0.09 -0.50 1.13 -0.76 0.21 0.00 0.00 175.17 175.16 3i0y s LEU 40 N 1.79 4.45 0.10 1.23 1.02 -0.62 -1.93 118.68 124.72 3i0y s LEU 40 Ca 0.07 2.32 -0.31 0.00 0.02 0.00 0.00 54.13 56.23 3i0y s LEU 40 Cb -0.19 -3.73 -0.10 0.00 0.02 0.00 0.00 46.19 42.19 3i0y s LEU 40 CO 0.11 -0.30 1.87 0.21 0.02 0.00 0.00 176.35 178.26 3i0y s ASN 41 N -0.92 6.43 -1.94 2.29 2.47 -1.23 -1.22 114.94 120.82 3i0y s ASN 41 Ca 0.48 2.74 0.00 0.00 0.42 0.00 0.00 52.86 56.50 3i0y s ASN 41 Cb -0.32 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 36.92 3i0y s ASN 41 CO 0.41 -1.02 0.00 0.00 -3.72 0.00 0.00 177.10 172.77 3i0y n GLN 42 N 6.22 -1.48 -0.69 0.43 1.13 -1.26 -4.89 117.38 116.83 3i0y n GLN 42 Ca 0.18 1.10 0.00 0.00 -1.94 0.00 0.00 57.00 56.34 3i0y n GLN 42 Cb 0.39 -5.57 0.00 0.00 0.11 0.00 0.00 30.24 25.17 3i0y n GLN 42 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i0y n GLY 43 N -0.74 4.71 3.92 1.08 0.00 -0.35 -5.16 105.19 108.63 3i0y n GLY 43 Ca -0.22 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 3i0y n GLY 43 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i0y s PRO 44 N -0.05 2.43 0.09 1.61 0.04 -1.26 -4.55 135.00 133.30 3i0y s PRO 44 Ca 0.00 -0.05 -0.22 0.00 0.04 0.00 0.00 61.00 60.78 3i0y s PRO 44 Cb 0.00 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 3i0y s PRO 44 CO 0.00 -1.13 0.66 0.50 0.04 0.00 0.00 177.00 177.07 3i0y s ARG 45 N -5.24 4.36 -0.07 4.56 3.52 -1.26 -1.58 118.95 123.23 3i0y s ARG 45 Ca 0.59 0.90 0.04 0.00 -0.13 0.00 0.00 55.73 57.13 3i0y s ARG 45 Cb -0.11 -3.27 -0.00 0.00 -1.56 0.00 0.00 34.95 30.01 3i0y s ARG 45 CO 0.46 0.55 -0.21 -1.21 -0.81 0.00 0.00 175.30 174.09 3i0y s GLU 46 N -0.89 2.41 -0.13 5.12 2.02 0.58 -4.96 118.70 122.84 3i0y s GLU 46 Ca 0.32 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.55 3i0y s GLU 46 Cb -0.21 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.06 3i0y s GLU 46 CO 0.21 0.21 -0.05 0.42 0.02 0.00 0.00 175.26 176.08 3i0y s ILE 47 N 0.23 3.83 0.00 -1.63 1.01 -1.26 -0.57 121.20 122.80 3i0y s ILE 47 Ca -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.14 3i0y s ILE 47 Cb -0.15 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.67 3i0y s ILE 47 CO 0.05 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.12 3i0y n GLY 48 N 3.22 2.39 0.18 6.18 0.00 0.52 -4.50 105.19 113.18 3i0y n GLY 48 Ca -0.18 -1.94 -0.04 0.00 0.00 0.00 0.00 46.02 43.86 3i0y n GLY 48 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i0y h ARG 49 N 0.00 0.24 -0.12 1.61 3.08 -1.81 -2.29 114.38 115.09 3i0y h ARG 49 Ca 0.00 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.92 3i0y h ARG 49 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3i0y h ARG 49 CO 0.00 0.71 0.05 0.00 -1.07 0.00 0.00 179.97 179.66 3i0y h ALA 50 N 1.26 0.14 -0.90 0.04 0.00 -1.94 0.55 119.26 118.40 3i0y h ALA 50 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i0y h ALA 50 Cb 0.99 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3i0y h ALA 50 CO 0.08 -0.40 0.49 0.00 0.00 0.00 0.00 179.25 179.42 3i0y h ALA 51 N 1.07 1.16 -0.54 0.00 0.00 -1.77 -1.13 119.26 118.06 3i0y h ALA 51 Ca 0.05 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3i0y h ALA 51 Cb 0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3i0y h ALA 51 CO -0.05 0.67 -0.13 0.35 0.00 0.00 0.00 179.25 180.09 3i0y h PHE 52 N 1.27 1.17 -0.37 0.00 3.04 -1.02 0.12 116.94 121.14 3i0y h PHE 52 Ca 0.32 -0.25 0.00 0.00 3.98 0.00 0.00 57.97 62.02 3i0y h PHE 52 Cb 0.04 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.24 3i0y h PHE 52 CO 0.01 1.08 0.24 0.00 -2.02 0.00 0.00 178.31 177.63 3i0y h ALA 53 N 0.92 0.47 -0.11 2.41 0.00 -0.59 -0.73 119.26 121.64 3i0y h ALA 53 Ca 0.14 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3i0y h ALA 53 Cb 0.70 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3i0y h ALA 53 CO 0.05 -0.06 -0.28 0.77 0.00 0.00 0.00 179.25 179.73 3i0y h SER 54 N 0.50 0.20 -0.27 0.00 0.02 -0.87 -1.58 113.55 111.56 3i0y h SER 54 Ca 0.14 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3i0y h SER 54 Cb -0.05 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3i0y h SER 54 CO -0.03 0.49 0.01 0.15 -1.14 0.00 0.00 176.83 176.31 3i0y h PHE 55 N 0.18 0.51 -0.87 3.45 3.57 -0.19 0.94 116.94 124.54 3i0y h PHE 55 Ca 0.03 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 3i0y h PHE 55 Cb 0.60 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 3i0y h PHE 55 CO 0.01 0.62 0.47 -0.07 -2.23 0.00 0.00 178.31 177.11 3i0y h LEU 56 N 0.26 1.09 -0.10 0.59 3.38 -0.84 -2.74 115.31 116.94 3i0y h LEU 56 Ca 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3i0y h LEU 56 Cb 0.41 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i0y h LEU 56 CO 0.01 0.88 0.03 1.56 0.09 0.00 0.00 178.44 181.02 3i0y h GLN 57 N 1.22 0.16 -0.97 1.13 4.20 -0.94 -1.50 115.11 118.41 3i0y h GLN 57 Ca 0.31 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3i0y h GLN 57 Cb 0.04 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3i0y h GLN 57 CO -0.05 0.32 0.00 0.54 -0.67 0.00 0.00 178.83 178.97 3i0y n ARG 58 N -4.89 0.03 0.00 1.46 1.74 0.30 -1.97 116.66 113.33 3i0y n ARG 58 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3i0y n ARG 58 Cb 0.14 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 3i0y n ARG 58 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3i0y n ASN 60 N 0.73 0.00 0.27 0.55 5.15 -0.56 -3.40 115.26 117.99 3i0y n ASN 60 Ca 0.00 0.00 0.16 0.00 -0.60 0.00 0.00 54.58 54.14 3i0y n ASN 60 Cb 0.01 0.00 0.69 0.00 -0.53 0.00 0.00 39.78 39.95 3i0y n ASN 60 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 3i0y h ASP 61 N 0.00 0.00 0.00 1.20 3.58 -1.66 -3.35 116.42 116.20 3i0y h ASP 61 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3i0y h ASP 61 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3i0y h ASP 61 CO 0.00 0.06 -0.95 -1.20 -2.88 0.00 0.00 179.24 174.27 3i0y n SER 62 N -3.21 4.75 -4.15 2.28 7.64 -1.22 -4.39 113.62 115.32 3i0y n SER 62 Ca -0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 3i0y n SER 62 Cb 0.31 0.53 -0.13 0.00 -1.01 0.00 0.00 64.21 63.91 3i0y n SER 62 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3i0y s TYR 63 N -1.94 1.26 -0.13 1.43 2.02 -1.26 -0.91 117.35 117.81 3i0y s TYR 63 Ca 0.00 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 3i0y s TYR 63 Cb 0.00 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.83 3i0y s TYR 63 CO 0.00 0.04 -0.19 0.50 -1.57 0.00 0.00 175.55 174.33 3i0y s ARG 64 N -1.15 2.65 0.05 -0.62 3.52 -0.48 -4.26 118.95 118.67 3i0y s ARG 64 Ca 0.02 -0.71 0.04 0.00 -0.13 0.00 0.00 55.73 54.95 3i0y s ARG 64 Cb -0.08 -2.22 -0.02 0.00 -1.56 0.00 0.00 34.95 31.07 3i0y s ARG 64 CO 0.01 -0.08 -0.12 -1.21 -0.81 0.00 0.00 175.30 173.09 3i0y s GLU 65 N 1.00 0.78 -0.03 5.12 2.02 -1.26 -1.35 118.70 124.97 3i0y s GLU 65 Ca -0.04 -0.82 0.05 0.00 0.02 0.00 0.00 54.97 54.18 3i0y s GLU 65 Cb -0.15 -0.74 -0.01 0.00 0.10 0.00 0.00 34.13 33.34 3i0y s GLU 65 CO -0.04 0.17 -0.17 -0.65 0.02 0.00 0.00 175.26 174.59 3i0y s GLN 66 N -1.45 1.62 -0.20 1.61 -1.52 -0.08 -4.87 119.66 114.77 3i0y s GLN 66 Ca -0.02 -0.61 -0.10 0.00 -1.95 0.00 0.00 55.36 52.68 3i0y s GLN 66 Cb -0.09 -1.47 -0.05 0.00 -0.22 0.00 0.00 33.01 31.18 3i0y s GLN 66 CO 0.01 0.30 0.12 -0.51 -0.25 0.00 0.00 175.29 174.97 3i0y s LEU 67 N -0.15 4.17 0.34 2.90 1.43 -1.26 -0.81 118.68 125.29 3i0y s LEU 67 Ca 0.01 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.38 3i0y s LEU 67 Cb -0.09 -2.08 -0.07 0.00 0.03 0.00 0.00 46.19 43.98 3i0y s LEU 67 CO 0.01 0.18 -0.01 -0.13 0.23 0.00 0.00 176.35 176.62 3i0y s ARG 68 N 0.37 1.72 -1.45 1.70 1.81 0.08 -4.80 118.95 118.39 3i0y s ARG 68 Ca 0.08 -1.93 -0.10 0.00 -1.72 0.00 0.00 55.73 52.06 3i0y s ARG 68 Cb -0.11 -1.28 0.05 0.00 -0.45 0.00 0.00 34.95 33.16 3i0y s ARG 68 CO -0.02 -0.03 0.98 -0.25 -0.68 0.00 0.00 175.30 175.30 3i0y n ASP 69 N -0.74 -4.45 -4.68 0.23 8.00 -1.26 -0.66 116.55 112.99 3i0y n ASP 69 Ca -0.04 -0.73 -0.42 0.00 0.71 0.00 0.00 54.79 54.30 3i0y n ASP 69 Cb 0.65 -4.20 -0.03 0.00 -0.02 0.00 0.00 41.12 37.52 3i0y n ASP 69 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i0y s ILE 70 N -3.37 4.02 -0.12 0.53 1.01 -1.26 -4.14 121.20 117.87 3i0y s ILE 70 Ca 0.52 1.32 0.00 0.00 0.00 0.00 0.00 60.65 62.49 3i0y s ILE 70 Cb -0.25 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.39 3i0y s ILE 70 CO 0.80 -0.05 -0.11 -0.69 0.00 0.00 0.00 174.94 174.89 3i0y s VAL 71 N 2.88 1.26 -0.10 2.92 1.01 -0.19 -4.99 120.40 123.18 3i0y s VAL 71 Ca 0.60 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3i0y s VAL 71 Cb -0.27 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 3i0y s VAL 71 CO 0.22 0.40 -0.15 -0.69 0.00 0.00 0.00 175.10 174.88 3i0y s VAL 72 N 1.44 2.91 0.08 2.92 1.01 -1.26 -1.51 120.40 125.99 3i0y s VAL 72 Ca 0.01 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.32 3i0y s VAL 72 Cb -0.13 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3i0y s VAL 72 CO -0.07 0.55 -0.15 0.42 0.00 0.00 0.00 175.10 175.85 3i0y s THR 73 N 0.06 1.22 0.09 3.92 -4.23 0.58 -4.99 115.64 112.28 3i0y s THR 73 Ca -0.06 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 3i0y s THR 73 Cb -0.15 -1.18 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 3i0y s THR 73 CO 0.05 -0.22 -0.06 0.00 -0.54 0.00 0.00 174.62 173.85 3i0y s ALA 74 N -1.33 0.88 0.62 3.99 0.00 -1.26 -0.84 121.76 123.83 3i0y s ALA 74 Ca 0.00 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 50.60 3i0y s ALA 74 Cb -0.10 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3i0y s ALA 74 CO 0.03 -0.23 0.97 0.54 0.00 0.00 0.00 175.76 177.06 3i0y s ASN 75 N -2.89 5.63 0.49 0.00 4.22 -0.82 -4.99 114.94 116.57 3i0y s ASN 75 Ca 0.09 0.91 0.23 0.00 -2.14 0.00 0.00 52.86 51.95 3i0y s ASN 75 Cb 0.04 -1.86 1.27 0.00 1.28 0.00 0.00 41.25 41.97 3i0y s ASN 75 CO -0.05 -1.11 2.02 0.44 -2.04 0.00 0.00 177.10 176.36 3i0y h ASP 76 N -0.32 0.00 1.13 3.54 3.32 -1.93 -1.36 116.42 120.81 3i0y h ASP 76 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3i0y h ASP 76 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3i0y h ASP 76 CO 0.62 0.16 0.00 -0.33 -1.72 0.00 0.00 179.24 177.97 3i0y h GLU 77 N 0.00 0.00 -1.03 3.56 3.07 -1.94 -3.39 114.58 114.85 3i0y h GLU 77 Ca -0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.64 3i0y h GLU 77 Cb 0.37 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.24 3i0y h GLU 77 CO 0.02 0.00 -0.24 0.41 -1.40 0.00 0.00 179.01 177.80 3i0y n GLY 78 N 0.19 0.54 0.00 -3.84 0.00 -0.51 -4.82 105.19 96.75 3i0y n GLY 78 Ca 0.01 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.60 3i0y n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i0y n THR 79 N -3.38 0.00 -4.27 2.61 -2.24 -1.26 -4.64 114.28 101.10 3i0y n THR 79 Ca -0.12 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.23 3i0y n THR 79 Cb 0.48 0.61 -0.15 0.00 -2.10 0.00 0.00 70.33 69.17 3i0y n THR 79 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i0y s ARG 80 N -2.54 0.77 0.00 -0.78 6.06 -1.26 -1.32 118.95 119.89 3i0y s ARG 80 Ca 0.00 -0.22 0.03 0.00 -2.50 0.00 0.00 55.73 53.04 3i0y s ARG 80 Cb 0.09 -0.75 -0.01 0.00 0.06 0.00 0.00 34.95 34.34 3i0y s ARG 80 CO 0.53 0.07 -0.11 0.08 -2.50 0.00 0.00 175.30 173.37 3i0y s VAL 81 N 0.27 0.86 0.04 7.11 1.01 -0.65 -1.94 120.40 127.10 3i0y s VAL 81 Ca -0.04 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.42 3i0y s VAL 81 Cb -0.08 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 3i0y s VAL 81 CO 0.00 0.15 -0.19 -0.83 0.00 0.00 0.00 175.10 174.23 3i0y s GLY 82 N -0.50 1.54 0.01 4.51 0.00 -0.02 -0.75 107.32 112.11 3i0y s GLY 82 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.55 3i0y s GLY 82 CO -0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 173.10 172.00 3i0y s ALA 83 N -0.89 0.10 0.17 3.20 0.00 0.29 -0.30 121.76 124.32 3i0y s ALA 83 Ca 0.14 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 51.85 3i0y s ALA 83 Cb -0.10 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3i0y s ALA 83 CO 0.04 -0.07 -0.15 -1.21 0.00 0.00 0.00 175.76 174.37 3i0y s GLU 84 N -0.77 1.22 0.20 0.00 2.02 -0.57 -0.28 118.70 120.53 3i0y s GLU 84 Ca -0.08 -1.43 -0.23 0.00 0.02 0.00 0.00 54.97 53.25 3i0y s GLU 84 Cb -0.05 -1.10 0.05 0.00 0.10 0.00 0.00 34.13 33.13 3i0y s GLU 84 CO -0.00 0.20 0.90 1.52 0.02 0.00 0.00 175.26 177.89 3i0y s TYR 85 N -2.50 -0.11 -0.12 1.61 -0.85 -0.86 -1.02 117.35 113.50 3i0y s TYR 85 Ca 0.17 -0.27 -0.00 0.00 -0.52 0.00 0.00 57.07 56.44 3i0y s TYR 85 Cb -0.03 0.68 -0.02 0.00 0.38 0.00 0.00 41.96 42.97 3i0y s TYR 85 CO 0.05 -0.99 -0.12 0.08 -1.52 0.00 0.00 175.55 173.06 3i0y s VAL 86 N -3.28 3.20 -0.28 -3.49 1.01 0.16 -1.20 120.40 116.52 3i0y s VAL 86 Ca 0.13 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 3i0y s VAL 86 Cb -0.03 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3i0y s VAL 86 CO 0.04 0.53 0.32 -0.69 0.00 0.00 0.00 175.10 175.31 3i0y s VAL 87 N 0.17 5.21 -0.29 2.92 1.01 0.61 -0.74 120.40 129.28 3i0y s VAL 87 Ca -0.06 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 3i0y s VAL 87 Cb -0.15 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.57 3i0y s VAL 87 CO 0.05 0.14 0.08 -1.00 0.00 0.00 0.00 175.10 174.37 3i0y s HIS 88 N 1.98 3.15 0.21 5.22 3.76 0.01 -2.05 115.29 127.56 3i0y s HIS 88 Ca 0.12 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 3i0y s HIS 88 Cb -0.16 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.24 3i0y s HIS 88 CO 0.10 -0.59 0.09 0.20 -0.85 0.00 0.00 174.74 173.70 3i0y s GLY 89 N 1.49 1.45 -0.03 -2.22 0.00 -0.13 -0.90 107.32 106.98 3i0y s GLY 89 Ca 0.02 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.04 3i0y s GLY 89 CO 0.02 -1.48 0.00 0.14 0.00 0.00 0.00 173.10 171.79 3i0y s VAL 90 N -3.94 0.14 -0.56 1.40 1.01 -0.46 -1.35 120.40 116.64 3i0y s VAL 90 Ca 0.35 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.24 3i0y s VAL 90 Cb 0.07 -0.24 0.09 0.00 0.00 0.00 0.00 36.38 36.30 3i0y s VAL 90 CO 0.10 0.13 0.67 -0.47 0.00 0.00 0.00 175.10 175.54 3i0y s TYR 91 N 1.01 3.02 -0.06 5.22 5.04 0.44 -1.38 117.35 130.65 3i0y s TYR 91 Ca -0.10 -0.82 0.13 0.00 -2.44 0.00 0.00 57.07 53.83 3i0y s TYR 91 Cb -0.13 -3.84 -0.19 0.00 0.35 0.00 0.00 41.96 38.15 3i0y s TYR 91 CO -0.02 -1.20 0.20 -2.39 -1.34 0.00 0.00 175.55 170.80 3i0y n HIS 92 N 6.25 0.00 -3.88 4.97 1.44 -0.09 -0.05 115.22 123.86 3i0y n HIS 92 Ca -0.09 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.44 3i0y n HIS 92 Cb 0.43 -0.42 -0.17 0.00 0.12 0.00 0.00 29.99 29.96 3i0y n HIS 92 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3i0y s THR 93 N -2.70 0.17 0.39 0.61 2.01 -1.08 -4.57 115.64 110.47 3i0y s THR 93 Ca -0.05 0.13 -0.25 0.00 0.31 0.00 0.00 61.69 61.82 3i0y s THR 93 Cb 0.07 -0.29 -0.11 0.00 0.01 0.00 0.00 72.50 72.17 3i0y s THR 93 CO 0.54 0.16 1.06 0.41 -0.69 0.00 0.00 174.62 176.11 3i0y n THR 94 N 4.40 2.34 -5.21 -0.82 -1.04 -1.26 -4.39 114.28 108.30 3i0y n THR 94 Ca -0.21 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 60.98 3i0y n THR 94 Cb 0.50 -1.22 -0.15 0.00 -1.82 0.00 0.00 70.33 67.64 3i0y n THR 94 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3i0y s ASP 95 N -0.65 3.27 -0.51 8.00 2.15 -1.26 -4.93 116.67 122.74 3i0y s ASP 95 Ca 0.61 -0.41 -0.38 0.00 0.43 0.00 0.00 52.55 52.81 3i0y s ASP 95 Cb -0.57 -0.49 -0.16 0.00 -0.30 0.00 0.00 42.92 41.40 3i0y s ASP 95 CO 0.58 0.32 2.25 -1.84 -0.17 0.00 0.00 175.17 176.31 3i0y n GLU 96 N 2.45 0.47 -0.18 4.34 0.28 -1.26 -1.12 120.64 125.63 3i0y n GLU 96 Ca -0.16 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 3i0y n GLU 96 Cb 0.51 -1.98 0.00 0.00 1.43 0.00 0.00 31.44 31.41 3i0y n GLU 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i0y n GLY 97 N 6.91 0.82 3.75 -1.84 0.00 -1.26 -5.09 105.19 108.48 3i0y n GLY 97 Ca 0.50 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.26 3i0y n GLY 97 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i0y s LEU 98 N 0.00 2.93 1.02 0.99 0.05 -0.28 -5.12 118.68 118.26 3i0y s LEU 98 Ca 0.00 -1.21 -0.14 0.00 0.05 0.00 0.00 54.13 52.83 3i0y s LEU 98 Cb 0.00 -1.25 0.11 0.00 -2.05 0.00 0.00 46.19 43.00 3i0y s LEU 98 CO 0.00 -0.65 0.54 -2.65 -0.55 0.00 0.00 176.35 173.04 3i0y n PRO 99 N -1.28 -0.94 -1.91 1.48 -0.02 -1.26 -4.76 135.00 126.30 3i0y n PRO 99 Ca -0.04 -0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 60.80 3i0y n PRO 99 Cb 0.65 -1.96 -0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3i0y n PRO 99 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3i0y s ASP 100 N -2.15 6.33 0.18 2.55 -4.77 -1.26 -4.55 116.67 113.00 3i0y s ASP 100 Ca 0.60 2.89 -0.29 0.00 -3.30 0.00 0.00 52.55 52.45 3i0y s ASP 100 Cb -0.20 -2.66 -0.08 0.00 -1.09 0.00 0.00 42.92 38.90 3i0y s ASP 100 CO 0.65 -0.86 0.91 0.00 0.70 0.00 0.00 175.17 176.57 3i0y s ALA 101 N -1.16 3.33 0.00 2.11 0.00 -1.26 -4.94 121.76 119.83 3i0y s ALA 101 Ca 0.54 0.55 0.02 0.00 0.00 0.00 0.00 51.96 53.07 3i0y s ALA 101 Cb -0.43 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.54 3i0y s ALA 101 CO 0.57 0.14 0.89 0.27 0.00 0.00 0.00 175.76 177.64 3i0y n ASN 102 N 1.97 0.04 0.00 0.00 6.94 -1.24 -4.67 115.26 118.31 3i0y n ASN 102 Ca -0.01 -1.76 0.00 0.00 -0.02 0.00 0.00 54.58 52.79 3i0y n ASN 102 Cb 0.48 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 3i0y n ASN 102 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i0y n GLY 103 N 0.03 0.71 3.77 4.83 0.00 0.92 -5.00 105.19 110.45 3i0y n GLY 103 Ca -0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 3i0y n GLY 103 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i0y s GLN 104 N -0.92 4.31 0.21 1.61 1.11 -1.07 -4.61 119.66 120.29 3i0y s GLN 104 Ca 0.00 2.28 -0.03 0.00 0.01 0.00 0.00 55.36 57.62 3i0y s GLN 104 Cb 0.00 -3.07 -0.05 0.00 -1.01 0.00 0.00 33.01 28.88 3i0y s GLN 104 CO 0.00 -0.28 0.44 0.95 0.01 0.00 0.00 175.29 176.41 3i0y s THR 105 N -0.89 5.13 -0.03 -0.19 -4.23 -1.26 -0.42 115.64 113.75 3i0y s THR 105 Ca 0.52 -0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.80 3i0y s THR 105 Cb -0.41 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 69.75 3i0y s THR 105 CO 0.52 -0.16 0.25 -0.72 -0.54 0.00 0.00 174.62 173.97 3i0y s TYR 106 N -1.88 -0.15 -0.10 3.99 1.13 -0.45 -4.61 117.35 115.27 3i0y s TYR 106 Ca 0.41 0.27 -0.03 0.00 -1.41 0.00 0.00 57.07 56.31 3i0y s TYR 106 Cb -0.11 0.06 0.05 0.00 -1.10 0.00 0.00 41.96 40.86 3i0y s TYR 106 CO 0.28 -0.30 0.12 0.08 -2.51 0.00 0.00 175.55 173.21 3i0y s VAL 107 N -0.98 -0.17 0.05 -3.49 1.01 -1.25 -0.96 120.40 114.61 3i0y s VAL 107 Ca -0.11 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 3i0y s VAL 107 Cb -0.05 -0.35 0.07 0.00 0.00 0.00 0.00 36.38 36.05 3i0y s VAL 107 CO 0.03 0.02 0.65 -1.48 0.00 0.00 0.00 175.10 174.31 3i0y s LEU 108 N 2.22 -0.61 0.70 3.92 2.34 -0.87 -4.97 118.68 121.40 3i0y s LEU 108 Ca 0.04 0.37 -0.14 0.00 0.06 0.00 0.00 54.13 54.46 3i0y s LEU 108 Cb -0.13 2.56 0.02 0.00 -0.56 0.00 0.00 46.19 48.07 3i0y s LEU 108 CO -0.06 -0.78 1.13 -2.84 -1.06 0.00 0.00 176.35 172.74 3i0y s PRO 109 N -2.41 2.54 0.25 1.48 0.02 -1.26 -0.28 135.00 135.33 3i0y s PRO 109 Ca -0.05 1.44 -0.06 0.00 0.02 0.00 0.00 61.00 62.34 3i0y s PRO 109 Cb -0.00 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 3i0y s PRO 109 CO -0.01 -1.46 0.34 0.20 -0.33 0.00 0.00 177.00 175.74 3i0y s GLY 110 N -2.58 1.07 0.16 0.52 0.00 -0.34 -4.48 107.32 101.66 3i0y s GLY 110 Ca 0.68 -1.32 -0.15 0.00 0.00 0.00 0.00 44.72 43.93 3i0y s GLY 110 CO 0.45 -1.00 0.42 -0.32 0.00 0.00 0.00 173.10 172.65 3i0y s GLY 111 N -3.11 -0.06 0.08 0.20 0.00 -0.43 -2.03 107.32 101.96 3i0y s GLY 111 Ca 0.30 -0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.60 3i0y s GLY 111 CO 0.12 -0.40 0.32 0.00 0.00 0.00 0.00 173.10 173.15 3i0y s ALA 112 N -3.86 -0.71 0.09 3.20 0.00 0.61 -0.75 121.76 120.34 3i0y s ALA 112 Ca 0.08 -0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.03 3i0y s ALA 112 Cb 0.01 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 3i0y s ALA 112 CO -0.06 -0.50 -0.24 -0.06 0.00 0.00 0.00 175.76 174.89 3i0y s PHE 113 N -3.16 2.06 0.03 0.00 0.08 -0.26 -0.55 117.98 116.18 3i0y s PHE 113 Ca -0.01 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.68 3i0y s PHE 113 Cb 0.01 -1.17 -0.02 0.00 -0.57 0.00 0.00 43.02 41.27 3i0y s PHE 113 CO -0.07 0.21 -0.09 -0.06 -0.10 0.00 0.00 175.22 175.10 3i0y s PHE 114 N -0.98 0.78 -0.14 0.36 0.40 0.07 -0.74 117.98 117.73 3i0y s PHE 114 Ca 0.10 -0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 56.00 3i0y s PHE 114 Cb -0.10 -0.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.92 3i0y s PHE 114 CO 0.04 -0.03 0.15 -0.51 0.70 0.00 0.00 175.22 175.57 3i0y s ASP 115 N -1.07 6.35 -0.07 1.36 1.01 -1.04 -1.63 116.67 121.59 3i0y s ASP 115 Ca -0.03 0.42 0.04 0.00 0.71 0.00 0.00 52.55 53.68 3i0y s ASP 115 Cb -0.07 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.77 3i0y s ASP 115 CO 0.01 0.33 -0.20 -0.69 0.21 0.00 0.00 175.17 174.83 3i0y s VAL 116 N -0.59 1.68 -0.18 -1.27 1.01 -0.43 -0.77 120.40 119.84 3i0y s VAL 116 Ca 0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 3i0y s VAL 116 Cb -0.12 -1.46 0.06 0.00 0.00 0.00 0.00 36.38 34.86 3i0y s VAL 116 CO 0.03 0.48 0.05 -0.60 0.00 0.00 0.00 175.10 175.05 3i0y s ARG 117 N 0.30 0.53 -1.47 2.72 3.52 -0.21 -4.49 118.95 119.84 3i0y s ARG 117 Ca -0.13 -0.33 -0.11 0.00 -0.13 0.00 0.00 55.73 55.04 3i0y s ARG 117 Cb -0.15 -2.00 0.06 0.00 -1.56 0.00 0.00 34.95 31.29 3i0y s ARG 117 CO 0.05 -0.63 0.97 -0.25 -0.81 0.00 0.00 175.30 174.63 3i0y n ASP 118 N 5.10 -4.41 0.00 -2.12 8.00 -1.26 -1.75 116.55 120.12 3i0y n ASP 118 Ca -0.08 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.66 3i0y n ASP 118 Cb 0.48 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.50 3i0y n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i0y n GLY 119 N -1.71 0.48 3.21 0.44 0.00 -1.26 -5.03 105.19 101.32 3i0y n GLY 119 Ca -0.02 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 3i0y n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i0y s GLN 120 N -1.05 1.25 -0.14 1.61 -0.21 -0.71 -4.99 119.66 115.41 3i0y s GLN 120 Ca 0.00 -0.87 -0.29 0.00 0.02 0.00 0.00 55.36 54.21 3i0y s GLN 120 Cb 0.00 -1.32 -0.01 0.00 1.00 0.00 0.00 33.01 32.67 3i0y s GLN 120 CO 0.00 0.34 1.13 0.42 -2.12 0.00 0.00 175.29 175.06 3i0y s ILE 121 N -0.80 4.50 -0.81 1.08 1.01 -0.15 -1.04 121.20 125.00 3i0y s ILE 121 Ca 0.06 1.80 0.10 0.00 0.00 0.00 0.00 60.65 62.61 3i0y s ILE 121 Cb -0.08 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3i0y s ILE 121 CO 0.02 -0.08 0.58 0.35 0.00 0.00 0.00 174.94 175.80 3i0y n THR 122 N 4.98 0.00 -3.70 2.92 -2.24 0.05 -0.71 114.28 115.58 3i0y n THR 122 Ca 0.11 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 3i0y n THR 122 Cb 0.46 1.08 -0.09 0.00 -2.10 0.00 0.00 70.33 69.68 3i0y n THR 122 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i0y s ARG 123 N -1.57 0.54 -0.23 -0.78 3.52 -1.20 -1.19 118.95 118.03 3i0y s ARG 123 Ca 0.07 0.76 0.01 0.00 -0.13 0.00 0.00 55.73 56.44 3i0y s ARG 123 Cb 0.08 0.19 0.06 0.00 -1.56 0.00 0.00 34.95 33.72 3i0y s ARG 123 CO 0.31 -0.10 -0.06 0.08 -0.81 0.00 0.00 175.30 174.72 3i0y s VAL 124 N 0.66 1.61 -0.32 7.11 1.01 -0.16 -2.49 120.40 127.82 3i0y s VAL 124 Ca -0.03 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 60.68 3i0y s VAL 124 Cb -0.05 -1.83 0.05 0.00 0.00 0.00 0.00 36.38 34.55 3i0y s VAL 124 CO -0.04 -0.06 0.04 -0.89 0.00 0.00 0.00 175.10 174.15 3i0y s THR 125 N 1.37 3.24 0.01 3.92 2.01 0.09 -0.69 115.64 125.58 3i0y s THR 125 Ca -0.06 -1.35 -0.13 0.00 0.31 0.00 0.00 61.69 60.46 3i0y s THR 125 Cb -0.19 -2.88 -0.06 0.00 0.01 0.00 0.00 72.50 69.39 3i0y s THR 125 CO -0.06 -0.17 0.39 0.20 -0.69 0.00 0.00 174.62 174.29 3i0y s ASN 126 N 1.34 6.75 0.01 3.53 0.01 -0.81 -1.10 114.94 124.67 3i0y s ASN 126 Ca -0.03 0.90 -0.00 0.00 -0.71 0.00 0.00 52.86 53.01 3i0y s ASN 126 Cb -0.20 -2.23 -0.01 0.00 0.41 0.00 0.00 41.25 39.22 3i0y s ASN 126 CO -0.00 0.31 -0.01 -0.31 -1.51 0.00 0.00 177.10 175.58 3i0y s TYR 127 N -1.13 0.17 0.17 2.20 2.02 0.07 -3.56 117.35 117.28 3i0y s TYR 127 Ca 0.25 -0.34 -0.24 0.00 -0.37 0.00 0.00 57.07 56.36 3i0y s TYR 127 Cb -0.16 -0.13 0.06 0.00 -0.40 0.00 0.00 41.96 41.34 3i0y s TYR 127 CO 0.13 -0.14 0.96 1.52 -1.57 0.00 0.00 175.55 176.45 3i0y s TYR 128 N -1.02 -0.09 -0.76 2.71 1.13 -1.26 -1.32 117.35 116.74 3i0y s TYR 128 Ca -0.11 -0.25 -0.23 0.00 -1.41 0.00 0.00 57.07 55.06 3i0y s TYR 128 Cb -0.07 0.66 0.06 0.00 -1.10 0.00 0.00 41.96 41.51 3i0y s TYR 128 CO -0.01 -0.89 1.14 1.21 -2.51 0.00 0.00 175.55 174.50 3i0y s ASN 129 N -3.02 6.26 0.20 -0.18 3.84 -1.26 -4.87 114.94 115.92 3i0y s ASN 129 Ca 0.14 -1.01 -0.07 0.00 0.21 0.00 0.00 52.86 52.12 3i0y s ASN 129 Cb -0.02 -2.48 0.14 0.00 -0.55 0.00 0.00 41.25 38.34 3i0y s ASN 129 CO 0.03 -1.52 1.66 0.25 -2.79 0.00 0.00 177.10 174.73 3i0y h LEU 130 N 11.91 0.96 -0.50 3.21 5.85 -1.98 -1.59 115.31 133.18 3i0y h LEU 130 Ca -0.17 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.31 3i0y h LEU 130 Cb 1.05 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 3i0y h LEU 130 CO 1.23 1.04 0.27 1.56 -0.34 0.00 0.00 178.44 182.20 3i0y h GLN 131 N 0.89 0.51 -0.59 1.25 1.08 -1.99 -0.23 115.11 116.04 3i0y h GLN 131 Ca 0.16 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3i0y h GLN 131 Cb 0.57 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 3i0y h GLN 131 CO 0.03 0.34 0.37 1.49 -0.95 0.00 0.00 178.83 180.11 3i0y h GLU 132 N 0.53 0.79 -0.13 1.46 4.57 -1.93 -0.99 114.58 118.88 3i0y h GLU 132 Ca 0.21 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3i0y h GLU 132 Cb 0.09 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3i0y h GLU 132 CO -0.13 0.55 0.07 2.35 -1.18 0.00 0.00 179.01 180.67 3i0y h TRP 133 N 0.79 0.13 -0.85 0.92 7.01 -0.96 -0.89 115.95 122.11 3i0y h TRP 133 Ca 0.21 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.24 3i0y h TRP 133 Cb -0.04 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 26.93 3i0y h TRP 133 CO -0.03 0.08 0.56 0.82 -2.79 0.00 0.00 178.44 177.08 3i0y h ILE 134 N 0.15 1.17 -0.52 2.65 2.04 -0.92 -0.71 117.51 121.36 3i0y h ILE 134 Ca 0.05 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 3i0y h ILE 134 Cb -0.00 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.04 3i0y h ILE 134 CO -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 178.15 178.31 3i0y h ALA 135 N 1.49 0.71 -0.03 1.87 0.00 -0.80 -1.23 119.26 121.28 3i0y h ALA 135 Ca 0.33 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i0y h ALA 135 Cb -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3i0y h ALA 135 CO -0.09 0.53 0.01 1.96 0.00 0.00 0.00 179.25 181.66 3i0y h GLN 136 N 0.80 0.04 0.00 0.00 4.20 -0.67 -2.35 115.11 117.12 3i0y h GLN 136 Ca 0.15 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3i0y h GLN 136 Cb 0.55 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3i0y h GLN 136 CO 0.03 0.26 0.00 -0.39 -0.67 0.00 0.00 178.83 178.06 3i0y h VAL 137 N -0.19 0.00 -0.22 -0.54 -1.51 -1.02 -2.71 116.25 110.06 3i0y h VAL 137 Ca 0.01 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 3i0y h VAL 137 Cb 0.24 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 3i0y h VAL 137 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.14 3i0y n SER 138 N -2.47 3.20 0.00 4.19 7.64 -0.48 -4.93 113.62 120.78 3i0y n SER 138 Ca 0.01 -1.97 0.09 0.00 1.01 0.00 0.00 58.87 58.02 3i0y n SER 138 Cb 0.24 -0.14 0.56 0.00 -1.01 0.00 0.00 64.21 63.86 3i0y n SER 138 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92