#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i0y h ASN 5 N 0.00 0.80 -0.07 6.43 -0.26 -1.88 -0.30 115.58 120.30 3i0y h ASN 5 Ca 0.00 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 3i0y h ASN 5 Cb 0.00 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.08 3i0y h ASN 5 CO 0.00 0.54 0.02 -0.09 -1.06 0.00 0.00 177.43 176.85 3i0y h ARG 6 N 0.93 0.11 -0.75 0.81 2.43 -1.72 -0.88 114.38 115.31 3i0y h ARG 6 Ca 0.32 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.53 3i0y h ARG 6 Cb 0.10 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 3i0y h ARG 6 CO -0.10 0.27 0.43 0.37 -1.51 0.00 0.00 179.97 179.43 3i0y h GLN 7 N -0.08 0.76 0.00 0.20 4.15 -1.82 -0.87 115.11 117.45 3i0y h GLN 7 Ca 0.02 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.30 3i0y h GLN 7 Cb 0.21 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 3i0y h GLN 7 CO -0.00 0.50 -0.45 0.00 -1.93 0.00 0.00 178.83 176.96 3i0y h ARG 8 N 0.78 0.00 0.07 1.69 3.08 -0.90 0.74 114.38 119.84 3i0y h ARG 8 Ca 0.34 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.21 3i0y h ARG 8 Cb 0.21 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.28 3i0y h ARG 8 CO -0.19 0.45 -0.74 0.00 -1.07 0.00 0.00 179.97 178.42 3i0y h ALA 9 N 1.55 -0.00 -0.56 0.04 0.00 -0.70 -2.84 119.26 116.76 3i0y h ALA 9 Ca -0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 54.91 54.16 3i0y h ALA 9 Cb 0.87 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3i0y h ALA 9 CO 0.06 0.39 -0.07 1.79 0.00 0.00 0.00 179.25 181.42 3i0y h THR 10 N -0.18 1.27 -0.93 0.00 1.35 -1.13 -2.25 112.91 111.04 3i0y h THR 10 Ca -0.11 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 3i0y h THR 10 Cb 1.49 0.92 -0.05 0.00 -1.73 0.00 0.00 68.15 68.79 3i0y h THR 10 CO 0.14 0.43 0.58 1.23 -0.25 0.00 0.00 175.52 177.65 3i0y h GLY 11 N 0.91 1.33 0.95 5.82 0.00 -0.95 -0.34 103.07 110.79 3i0y h GLY 11 Ca 0.15 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3i0y h GLY 11 CO 0.04 0.52 0.03 -2.00 0.00 0.00 0.00 176.54 175.13 3i0y h LEU 12 N 1.27 0.07 -0.62 3.11 5.85 -1.23 -1.48 115.31 122.27 3i0y h LEU 12 Ca 0.33 -0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.85 3i0y h LEU 12 Cb -0.09 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3i0y h LEU 12 CO -0.07 0.10 -0.56 0.58 -0.34 0.00 0.00 178.44 178.15 3i0y h VAL 13 N 0.03 1.35 -0.86 1.05 2.07 -1.26 -0.71 116.25 117.92 3i0y h VAL 13 Ca 0.02 -1.86 0.01 0.00 0.82 0.00 0.00 66.70 65.69 3i0y h VAL 13 Cb 0.05 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3i0y h VAL 13 CO -0.00 0.56 0.57 1.56 0.02 0.00 0.00 177.57 180.28 3i0y h GLN 14 N 0.29 1.13 -0.34 1.57 1.08 -0.97 -1.53 115.11 116.34 3i0y h GLN 14 Ca 0.00 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.04 3i0y h GLN 14 Cb 1.07 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 28.23 3i0y h GLN 14 CO 0.10 0.75 -0.17 0.00 -0.95 0.00 0.00 178.83 178.55 3i0y h ALA 15 N 1.31 1.07 -0.45 3.87 0.00 -0.81 0.70 119.26 124.94 3i0y h ALA 15 Ca 0.31 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i0y h ALA 15 Cb -0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3i0y h ALA 15 CO -0.07 0.57 0.28 -0.92 0.00 0.00 0.00 179.25 179.11 3i0y h TYR 16 N 0.56 0.53 -0.14 0.00 3.20 -0.68 -1.52 116.97 118.92 3i0y h TYR 16 Ca 0.09 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.81 3i0y h TYR 16 Cb 0.61 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3i0y h TYR 16 CO 0.03 0.32 -0.60 1.88 -1.64 0.00 0.00 178.16 178.14 3i0y h TYR 17 N 0.57 0.60 -0.88 -3.82 0.05 -0.87 -1.24 116.97 111.38 3i0y h TYR 17 Ca 0.18 -0.23 0.01 0.00 0.05 0.00 0.00 58.73 58.74 3i0y h TYR 17 Cb -0.02 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 3i0y h TYR 17 CO -0.06 0.95 0.59 1.49 -1.05 0.00 0.00 178.16 180.08 3i0y h GLU 18 N 0.35 1.16 -0.27 4.88 4.22 -0.65 0.53 114.58 124.80 3i0y h GLU 18 Ca -0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 59.32 3i0y h GLU 18 Cb 1.14 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3i0y h GLU 18 CO 0.11 0.77 -0.01 0.00 -2.18 0.00 0.00 179.01 177.70 3i0y h ALA 19 N 1.33 0.37 -0.28 2.92 0.00 -1.08 -1.68 119.26 120.84 3i0y h ALA 19 Ca 0.33 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3i0y h ALA 19 Cb -0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3i0y h ALA 19 CO -0.07 0.11 -0.07 0.35 0.00 0.00 0.00 179.25 179.57 3i0y h PHE 20 N 0.27 -0.15 0.00 0.00 3.57 -0.96 -0.28 116.94 119.39 3i0y h PHE 20 Ca 0.08 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3i0y h PHE 20 Cb 0.43 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3i0y h PHE 20 CO 0.04 -0.12 -0.25 -0.91 -2.23 0.00 0.00 178.31 174.84 3i0y h ASN 21 N 0.00 0.00 0.86 0.41 2.35 -0.70 -1.15 115.58 117.35 3i0y h ASN 21 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3i0y h ASN 21 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3i0y h ASN 21 CO -0.29 0.25 -0.16 0.54 -1.65 0.00 0.00 177.43 176.12 3i0y n ARG 22 N -4.03 0.01 -1.84 0.81 1.74 -0.65 -4.93 116.66 107.77 3i0y n ARG 22 Ca -0.02 0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 56.98 3i0y n ARG 22 Cb 0.32 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 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 1.49 0.38 3.15 -0.13 0.00 -0.43 -4.95 105.19 104.70 3i0y n GLY 23 Ca 0.06 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 0.50 5.33 -0.33 1.61 -0.08 -0.25 -4.83 116.55 118.50 3i0y n ASP 24 Ca -0.09 -3.09 -0.04 0.00 -1.51 0.00 0.00 54.79 50.06 3i0y n ASP 24 Cb 0.47 -1.48 0.09 0.00 2.34 0.00 0.00 41.12 42.53 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 6.32 1.18 -0.59 -0.67 -0.00 -1.93 -2.17 115.95 118.09 3i0y h TRP 25 Ca 0.33 -0.01 0.01 0.00 -0.00 0.00 0.00 58.89 59.22 3i0y h TRP 25 Cb 0.74 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.16 29.48 3i0y h TRP 25 CO 1.12 0.79 0.38 -0.44 -0.00 0.00 0.00 178.44 180.29 3i0y h ASP 26 N 1.23 0.64 0.00 -3.49 3.32 -1.97 0.20 116.42 116.34 3i0y h ASP 26 Ca 0.32 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3i0y h ASP 26 Cb -0.04 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.36 3i0y h ASP 26 CO -0.06 0.46 0.00 0.00 -1.72 0.00 0.00 179.24 177.92 3i0y n ALA 27 N -2.27 1.86 0.00 3.45 0.00 -0.82 -1.93 120.51 120.81 3i0y n ALA 27 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i0y n ALA 27 Cb 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.63 0.00 0.20 0.00 4.77 0.06 -2.95 117.00 119.71 3i0y n LEU 29 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3i0y n LEU 29 Cb 0.19 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.78 3i0y n LEU 29 CO 0.00 0.00 0.91 0.00 -1.33 0.00 0.00 177.39 176.97 3i0y h ALA 30 N 0.00 1.00 0.00 -1.18 0.00 -1.63 -1.93 119.26 115.52 3i0y h ALA 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i0y h ALA 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i0y h ALA 30 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 3i0y n PHE 31 N -2.71 0.08 -3.54 0.00 3.72 -1.15 -4.82 117.46 109.03 3i0y n PHE 31 Ca 0.02 0.02 -0.38 0.00 -0.05 0.00 0.00 57.45 57.07 3i0y n PHE 31 Cb 0.34 -0.54 -0.06 0.00 -0.94 0.00 0.00 39.48 38.28 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 -3.13 4.46 0.73 4.37 1.43 -0.73 -1.18 118.68 124.64 3i0y s LEU 32 Ca 0.13 0.91 -0.16 0.00 -1.03 0.00 0.00 54.13 53.98 3i0y s LEU 32 Cb 0.17 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.85 3i0y s LEU 32 CO 0.49 0.32 1.09 0.00 0.23 0.00 0.00 176.35 178.49 3i0y n ALA 33 N 1.77 0.09 0.07 4.21 0.00 0.29 -4.87 120.51 122.08 3i0y n ALA 33 Ca -0.14 -0.19 0.10 0.00 0.00 0.00 0.00 53.44 53.22 3i0y n ALA 33 Cb 0.53 -2.19 0.57 0.00 0.00 0.00 0.00 19.45 18.36 3i0y n ALA 33 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i0y h GLU 34 N -0.27 0.21 -0.77 0.00 3.07 -1.94 -2.24 114.58 112.64 3i0y h GLU 34 Ca -0.48 -0.01 -0.47 0.00 -0.50 0.00 0.00 59.36 57.90 3i0y h GLU 34 Cb 1.33 -0.05 -0.26 0.00 -0.84 0.00 0.00 28.75 28.93 3i0y h GLU 34 CO 0.48 0.14 0.27 -0.40 -1.40 0.00 0.00 179.01 178.10 3i0y n ASP 35 N -4.48 4.67 -4.71 1.42 5.75 -1.26 -3.00 116.55 114.94 3i0y n ASP 35 Ca 0.04 -3.74 -0.43 0.00 -0.01 0.00 0.00 54.79 50.65 3i0y n ASP 35 Cb 0.25 -0.74 -0.01 0.00 -1.03 0.00 0.00 41.12 39.59 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 -1.01 1.67 -3.49 2.12 3.14 -0.84 -4.48 118.33 115.44 3i0y n VAL 36 Ca 0.50 -0.42 -0.38 0.00 -2.96 0.00 0.00 64.34 61.09 3i0y n VAL 36 Cb 1.09 -1.66 -0.09 0.00 -1.06 0.00 0.00 33.84 32.12 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 -0.76 3.57 -0.25 1.55 0.00 -0.44 -0.10 121.76 125.33 3i0y s ALA 37 Ca 0.59 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 3i0y s ALA 37 Cb -0.56 -2.54 0.04 0.00 0.00 0.00 0.00 23.12 20.06 3i0y s ALA 37 CO 0.58 -0.36 -0.07 -1.58 0.00 0.00 0.00 175.76 174.34 3i0y s HIS 38 N 1.41 3.11 -0.45 0.00 2.46 0.09 -0.65 115.29 121.26 3i0y s HIS 38 Ca 0.14 -1.75 -0.19 0.00 0.47 0.00 0.00 55.06 53.72 3i0y s HIS 38 Cb -0.15 -2.03 0.03 0.00 -0.13 0.00 0.00 32.58 30.30 3i0y s HIS 38 CO 0.07 -0.78 0.57 -0.51 -2.47 0.00 0.00 174.74 171.63 3i0y s ASP 39 N 1.27 6.25 0.31 9.88 1.01 0.12 -0.60 116.67 134.91 3i0y s ASP 39 Ca -0.02 -0.61 -0.28 0.00 0.71 0.00 0.00 52.55 52.36 3i0y s ASP 39 Cb -0.17 -2.28 -0.09 0.00 1.01 0.00 0.00 42.92 41.38 3i0y s ASP 39 CO -0.05 -0.74 1.02 -0.76 0.21 0.00 0.00 175.17 174.85 3i0y s LEU 40 N 2.54 4.43 0.06 1.23 1.02 -0.68 -2.08 118.68 125.21 3i0y s LEU 40 Ca 0.17 2.07 -0.31 0.00 0.02 0.00 0.00 54.13 56.08 3i0y s LEU 40 Cb -0.16 -3.83 -0.08 0.00 0.02 0.00 0.00 46.19 42.13 3i0y s LEU 40 CO 0.15 -0.15 1.65 0.21 0.02 0.00 0.00 176.35 178.23 3i0y s ASN 41 N -1.25 6.61 -1.90 2.29 2.47 -1.24 -1.34 114.94 120.58 3i0y s ASN 41 Ca 0.48 2.46 0.00 0.00 0.42 0.00 0.00 52.86 56.22 3i0y s ASN 41 Cb -0.26 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 36.98 3i0y s ASN 41 CO 0.33 -0.89 0.00 0.00 -3.72 0.00 0.00 177.10 172.82 3i0y n GLN 42 N 5.69 -1.62 -2.18 0.43 1.13 -1.26 -4.91 117.38 114.65 3i0y n GLN 42 Ca 0.16 1.07 -0.02 0.00 -1.94 0.00 0.00 57.00 56.27 3i0y n GLN 42 Cb 0.41 -5.65 -0.01 0.00 0.11 0.00 0.00 30.24 25.10 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 -0.81 3.94 3.78 1.08 0.00 -0.45 -5.17 105.19 107.57 3i0y n GLY 43 Ca -0.23 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.11 1.57 -0.05 1.61 0.04 -1.26 -4.49 135.00 130.30 3i0y s PRO 44 Ca 0.03 0.51 -0.23 0.00 0.04 0.00 0.00 61.00 61.35 3i0y s PRO 44 Cb 0.00 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 3i0y s PRO 44 CO 0.02 -1.95 0.69 0.50 0.04 0.00 0.00 177.00 176.31 3i0y s ARG 45 N -5.18 4.43 -0.04 4.56 3.52 -1.26 -1.69 118.95 123.29 3i0y s ARG 45 Ca 0.62 0.87 0.06 0.00 -0.13 0.00 0.00 55.73 57.16 3i0y s ARG 45 Cb -0.15 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 3i0y s ARG 45 CO 0.54 0.10 -0.22 -1.21 -0.81 0.00 0.00 175.30 173.70 3i0y s GLU 46 N 0.66 2.40 -0.11 5.12 2.02 0.23 -4.96 118.70 124.06 3i0y s GLU 46 Ca 0.37 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 3i0y s GLU 46 Cb -0.18 -2.18 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 3i0y s GLU 46 CO 0.18 0.50 -0.07 0.42 0.02 0.00 0.00 175.26 176.31 3i0y s ILE 47 N -0.45 3.65 0.00 -1.63 -1.09 -1.26 -0.73 121.20 119.69 3i0y s ILE 47 Ca 0.05 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 3i0y s ILE 47 Cb -0.12 -2.54 0.00 0.00 -1.58 0.00 0.00 42.46 38.23 3i0y s ILE 47 CO 0.01 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 3i0y n GLY 48 N 2.93 2.55 0.29 6.18 0.00 0.86 -4.49 105.19 113.51 3i0y n GLY 48 Ca -0.18 -1.87 -0.02 0.00 0.00 0.00 0.00 46.02 43.95 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 0.70 -0.27 1.61 3.08 -1.75 -2.55 114.38 115.20 3i0y h ARG 49 Ca 0.00 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 3i0y h ARG 49 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3i0y h ARG 49 CO 0.00 0.67 0.16 0.00 -1.07 0.00 0.00 179.97 179.74 3i0y h ALA 50 N 1.40 0.35 -0.77 0.04 0.00 -1.89 0.23 119.26 118.62 3i0y h ALA 50 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i0y h ALA 50 Cb 0.33 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3i0y h ALA 50 CO 0.01 -0.15 0.49 0.00 0.00 0.00 0.00 179.25 179.60 3i0y h ALA 51 N 1.06 0.98 -0.61 0.00 0.00 -1.77 -1.32 119.26 117.60 3i0y h ALA 51 Ca 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3i0y h ALA 51 Cb 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3i0y h ALA 51 CO -0.02 0.42 0.23 0.35 0.00 0.00 0.00 179.25 180.24 3i0y h PHE 52 N 1.05 0.93 -0.86 0.00 3.04 -0.97 0.10 116.94 120.23 3i0y h PHE 52 Ca 0.28 -0.07 0.03 0.00 3.98 0.00 0.00 57.97 62.19 3i0y h PHE 52 Cb -0.09 -0.28 -0.05 0.00 2.56 0.00 0.00 35.95 38.10 3i0y h PHE 52 CO -0.01 0.75 0.56 0.00 -2.02 0.00 0.00 178.31 177.58 3i0y h ALA 53 N 1.09 1.13 -0.16 2.41 0.00 -0.12 -0.75 119.26 122.86 3i0y h ALA 53 Ca 0.20 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3i0y h ALA 53 Cb 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3i0y h ALA 53 CO -0.01 0.42 -0.41 0.66 0.00 0.00 0.00 179.25 179.90 3i0y h SER 54 N 1.10 0.38 -0.18 0.00 4.64 -0.73 -1.06 113.55 117.70 3i0y h SER 54 Ca 0.34 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3i0y h SER 54 Cb -0.02 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 3i0y h SER 54 CO -0.11 0.75 0.11 0.15 -0.87 0.00 0.00 176.83 176.86 3i0y h PHE 55 N 0.30 0.20 -0.45 4.77 3.57 -0.29 -0.64 116.94 124.41 3i0y h PHE 55 Ca 0.03 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3i0y h PHE 55 Cb 0.85 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3i0y h PHE 55 CO 0.02 0.12 0.05 -0.07 -2.23 0.00 0.00 178.31 176.20 3i0y h LEU 56 N 0.22 0.67 -0.25 0.59 3.38 -0.89 -2.71 115.31 116.33 3i0y h LEU 56 Ca 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3i0y h LEU 56 Cb -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3i0y h LEU 56 CO -0.03 0.70 0.09 1.56 0.09 0.00 0.00 178.44 180.85 3i0y h GLN 57 N 0.68 0.38 -0.87 1.13 7.50 -0.83 -1.35 115.11 121.75 3i0y h GLN 57 Ca 0.14 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.22 3i0y h GLN 57 Cb 0.35 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.82 3i0y h GLN 57 CO 0.01 0.44 0.00 0.54 -1.50 0.00 0.00 178.83 178.31 3i0y n ARG 58 N -4.77 0.08 0.00 1.46 1.74 -0.28 -1.65 116.66 113.23 3i0y n ARG 58 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3i0y n ARG 58 Cb 0.14 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 3i0y n ARG 58 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i0y n ASN 60 N 0.68 0.00 0.15 0.55 4.13 -0.51 -3.67 115.26 116.59 3i0y n ASN 60 Ca 0.00 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.28 3i0y n ASN 60 Cb 0.03 0.00 0.38 0.00 -1.54 0.00 0.00 39.78 38.65 3i0y n ASN 60 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3i0y h ASP 61 N 0.00 0.13 0.00 6.41 3.32 -1.57 -3.34 116.42 121.37 3i0y h ASP 61 Ca 0.00 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 3i0y h ASP 61 Cb 0.00 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3i0y h ASP 61 CO 0.00 0.38 -1.35 -1.20 -1.72 0.00 0.00 179.24 175.34 3i0y n SER 62 N -4.21 3.68 -4.32 6.45 7.64 -1.24 -4.54 113.62 117.08 3i0y n SER 62 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.69 3i0y n SER 62 Cb 0.32 0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 64.13 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 -2.16 1.59 -0.10 1.43 2.02 -1.26 -1.11 117.35 117.77 3i0y s TYR 63 Ca -0.03 -0.63 -0.06 0.00 -0.37 0.00 0.00 57.07 55.98 3i0y s TYR 63 Cb 0.02 -0.76 0.04 0.00 -0.40 0.00 0.00 41.96 40.86 3i0y s TYR 63 CO 0.22 0.28 0.24 0.50 -1.57 0.00 0.00 175.55 175.22 3i0y s ARG 64 N -3.67 0.23 0.13 -0.62 3.52 -0.73 -4.08 118.95 113.73 3i0y s ARG 64 Ca 0.21 0.45 -0.08 0.00 -0.13 0.00 0.00 55.73 56.19 3i0y s ARG 64 Cb 0.00 -0.03 -0.01 0.00 -1.56 0.00 0.00 34.95 33.35 3i0y s ARG 64 CO 0.05 -0.11 0.21 -1.83 -0.81 0.00 0.00 175.30 172.81 3i0y s GLU 65 N 0.83 1.01 0.07 5.12 -1.05 -1.26 -1.15 118.70 122.27 3i0y s GLU 65 Ca -0.06 -1.14 0.01 0.00 -0.15 0.00 0.00 54.97 53.64 3i0y s GLU 65 Cb -0.07 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.93 3i0y s GLU 65 CO -0.05 -0.34 -0.06 1.14 0.95 0.00 0.00 175.26 176.89 3i0y s GLN 66 N -3.94 0.69 -0.25 -4.83 -2.07 0.44 -4.83 119.66 104.88 3i0y s GLN 66 Ca 0.14 -1.12 -0.05 0.00 -1.82 0.00 0.00 55.36 52.51 3i0y s GLN 66 Cb 0.04 -0.17 0.00 0.00 -1.09 0.00 0.00 33.01 31.80 3i0y s GLN 66 CO -0.04 -0.01 -0.00 -0.51 -1.32 0.00 0.00 175.29 173.41 3i0y s LEU 67 N -2.53 3.28 0.37 2.60 1.43 -1.26 -1.34 118.68 121.23 3i0y s LEU 67 Ca 0.04 -0.57 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 3i0y s LEU 67 Cb 0.00 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3i0y s LEU 67 CO -0.04 -0.09 0.27 -0.13 0.23 0.00 0.00 176.35 176.59 3i0y s ARG 68 N 1.46 2.53 -1.41 1.70 0.52 0.48 -4.74 118.95 119.49 3i0y s ARG 68 Ca 0.04 -1.49 -0.06 0.00 -0.52 0.00 0.00 55.73 53.71 3i0y s ARG 68 Cb -0.16 -2.33 0.04 0.00 0.52 0.00 0.00 34.95 33.02 3i0y s ARG 68 CO -0.01 -0.01 0.77 -0.25 0.02 0.00 0.00 175.30 175.81 3i0y n ASP 69 N -1.36 -2.43 -4.66 0.23 8.00 -1.26 -1.06 116.55 114.01 3i0y n ASP 69 Ca -0.00 -0.83 -0.43 0.00 0.71 0.00 0.00 54.79 54.23 3i0y n ASP 69 Cb 0.61 -3.84 -0.02 0.00 -0.02 0.00 0.00 41.12 37.85 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 -3.56 4.57 -0.35 0.53 1.01 -1.26 -4.34 121.20 117.81 3i0y s ILE 70 Ca 0.26 1.88 -0.08 0.00 0.00 0.00 0.00 60.65 62.72 3i0y s ILE 70 Cb -0.13 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.10 3i0y s ILE 70 CO 0.83 -0.24 0.13 -0.69 0.00 0.00 0.00 174.94 174.98 3i0y s VAL 71 N 3.36 4.01 -0.18 2.92 1.01 0.18 -4.97 120.40 126.73 3i0y s VAL 71 Ca 0.46 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 3i0y s VAL 71 Cb -0.16 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 3i0y s VAL 71 CO 0.09 -0.17 -0.02 -0.69 0.00 0.00 0.00 175.10 174.31 3i0y s VAL 72 N 1.45 3.88 0.10 2.92 1.01 -1.26 -1.56 120.40 126.93 3i0y s VAL 72 Ca -0.00 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3i0y s VAL 72 Cb -0.19 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3i0y s VAL 72 CO 0.04 0.45 -0.11 0.42 0.00 0.00 0.00 175.10 175.91 3i0y s THR 73 N 0.77 0.98 0.11 3.92 -4.23 0.14 -5.00 115.64 112.32 3i0y s THR 73 Ca -0.01 -1.60 -0.13 0.00 -1.18 0.00 0.00 61.69 58.78 3i0y s THR 73 Cb -0.14 -1.32 0.02 0.00 1.34 0.00 0.00 72.50 72.39 3i0y s THR 73 CO 0.02 -0.51 0.31 0.00 -0.54 0.00 0.00 174.62 173.90 3i0y s ALA 74 N -2.27 -0.62 0.76 3.99 0.00 -1.26 -0.66 121.76 121.69 3i0y s ALA 74 Ca 0.05 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 3i0y s ALA 74 Cb -0.04 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.71 3i0y s ALA 74 CO 0.01 -0.58 1.10 0.54 0.00 0.00 0.00 175.76 176.83 3i0y s ASN 75 N -2.79 4.95 0.45 0.00 4.22 -0.86 -4.96 114.94 115.95 3i0y s ASN 75 Ca 0.03 1.18 0.18 0.00 -2.14 0.00 0.00 52.86 52.11 3i0y s ASN 75 Cb 0.03 -1.92 1.07 0.00 1.28 0.00 0.00 41.25 41.70 3i0y s ASN 75 CO -0.11 -1.67 1.98 0.44 -2.04 0.00 0.00 177.10 175.70 3i0y h ASP 76 N -0.88 0.00 1.14 3.54 3.32 -1.96 -1.30 116.42 120.28 3i0y h ASP 76 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3i0y h ASP 76 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3i0y h ASP 76 CO 0.62 0.21 0.00 -0.33 -1.72 0.00 0.00 179.24 178.02 3i0y h GLU 77 N 0.00 0.00 -2.31 3.56 3.07 -1.93 -3.32 114.58 113.65 3i0y h GLU 77 Ca -0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.63 3i0y h GLU 77 Cb 0.40 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.33 3i0y h GLU 77 CO 0.03 0.00 -0.32 0.41 -1.40 0.00 0.00 179.01 177.73 3i0y n GLY 78 N 0.63 -0.02 0.00 -3.84 0.00 -0.49 -4.75 105.19 96.71 3i0y n GLY 78 Ca 0.04 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.96 0.00 -4.10 2.61 -2.24 -1.26 -4.67 114.28 100.66 3i0y n THR 79 Ca -0.09 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 3i0y n THR 79 Cb 0.58 0.68 -0.16 0.00 -2.10 0.00 0.00 70.33 69.33 3i0y n THR 79 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i0y s ARG 80 N -1.88 0.73 -0.02 -0.78 1.81 -1.26 -0.92 118.95 116.63 3i0y s ARG 80 Ca -0.00 -0.06 0.04 0.00 -1.72 0.00 0.00 55.73 53.98 3i0y s ARG 80 Cb 0.03 -0.78 -0.01 0.00 -0.45 0.00 0.00 34.95 33.74 3i0y s ARG 80 CO 0.18 -0.10 -0.13 0.08 -0.68 0.00 0.00 175.30 174.65 3i0y s VAL 81 N 0.99 1.04 0.11 3.52 1.01 -0.65 -2.03 120.40 124.39 3i0y s VAL 81 Ca -0.10 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.40 3i0y s VAL 81 Cb -0.14 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3i0y s VAL 81 CO -0.00 0.30 -0.02 -0.83 0.00 0.00 0.00 175.10 174.55 3i0y s GLY 82 N -0.13 1.85 -0.07 4.51 0.00 0.16 -0.51 107.32 113.13 3i0y s GLY 82 Ca 0.02 -1.20 -0.03 0.00 0.00 0.00 0.00 44.72 43.50 3i0y s GLY 82 CO 0.00 -1.19 0.16 0.00 0.00 0.00 0.00 173.10 172.07 3i0y s ALA 83 N -1.40 -0.28 0.05 3.20 0.00 -0.06 -0.69 121.76 122.59 3i0y s ALA 83 Ca 0.25 0.70 0.05 0.00 0.00 0.00 0.00 51.96 52.97 3i0y s ALA 83 Cb -0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3i0y s ALA 83 CO 0.18 -0.19 -0.10 -2.00 0.00 0.00 0.00 175.76 173.65 3i0y s GLU 84 N 1.26 2.30 0.23 0.00 2.12 -0.60 -0.55 118.70 123.45 3i0y s GLU 84 Ca -0.08 -0.89 -0.22 0.00 0.36 0.00 0.00 54.97 54.14 3i0y s GLU 84 Cb -0.12 -2.37 0.06 0.00 0.26 0.00 0.00 34.13 31.97 3i0y s GLU 84 CO -0.06 0.55 0.91 1.52 -0.54 0.00 0.00 175.26 177.64 3i0y s TYR 85 N -1.08 -0.03 -0.22 5.30 -0.85 -0.78 -0.65 117.35 119.05 3i0y s TYR 85 Ca 0.19 -0.41 -0.01 0.00 -0.52 0.00 0.00 57.07 56.31 3i0y s TYR 85 Cb -0.11 0.71 0.01 0.00 0.38 0.00 0.00 41.96 42.95 3i0y s TYR 85 CO 0.10 -1.08 -0.10 0.08 -1.52 0.00 0.00 175.55 173.03 3i0y s VAL 86 N -2.86 2.74 -0.09 -3.49 1.01 -0.22 -0.96 120.40 116.54 3i0y s VAL 86 Ca 0.15 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 3i0y s VAL 86 Cb -0.03 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3i0y s VAL 86 CO 0.06 0.38 0.90 -0.69 0.00 0.00 0.00 175.10 175.76 3i0y s VAL 87 N 1.36 4.87 -0.19 2.92 1.01 0.63 -0.39 120.40 130.61 3i0y s VAL 87 Ca 0.03 1.84 0.01 0.00 0.00 0.00 0.00 61.98 63.87 3i0y s VAL 87 Cb -0.15 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.04 3i0y s VAL 87 CO -0.07 0.09 -0.17 -1.00 0.00 0.00 0.00 175.10 173.96 3i0y s HIS 88 N 1.59 2.69 0.36 5.22 3.76 -0.45 -1.53 115.29 126.94 3i0y s HIS 88 Ca 0.45 -1.66 -0.03 0.00 -0.15 0.00 0.00 55.06 53.67 3i0y s HIS 88 Cb -0.18 -1.83 0.01 0.00 1.11 0.00 0.00 32.58 31.69 3i0y s HIS 88 CO 0.19 -0.79 0.52 0.20 -0.85 0.00 0.00 174.74 174.02 3i0y s GLY 89 N 1.31 1.46 -0.01 -2.22 0.00 -0.13 -0.42 107.32 107.32 3i0y s GLY 89 Ca 0.02 -1.49 0.02 0.00 0.00 0.00 0.00 44.72 43.28 3i0y s GLY 89 CO -0.11 -0.94 -0.07 0.14 0.00 0.00 0.00 173.10 172.12 3i0y s VAL 90 N -2.83 0.56 -0.70 1.40 1.01 -0.30 -1.07 120.40 118.47 3i0y s VAL 90 Ca 0.29 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 3i0y s VAL 90 Cb -0.01 -0.48 0.11 0.00 0.00 0.00 0.00 36.38 36.00 3i0y s VAL 90 CO 0.21 0.16 0.86 -0.47 0.00 0.00 0.00 175.10 175.86 3i0y s TYR 91 N -0.15 3.01 -0.13 5.22 5.04 0.16 -1.78 117.35 128.72 3i0y s TYR 91 Ca 0.02 -1.05 0.18 0.00 -2.44 0.00 0.00 57.07 53.79 3i0y s TYR 91 Cb -0.03 -4.13 -0.24 0.00 0.35 0.00 0.00 41.96 37.91 3i0y s TYR 91 CO -0.00 -1.40 0.36 -2.39 -1.34 0.00 0.00 175.55 170.78 3i0y n HIS 92 N 6.51 0.30 -3.81 4.97 1.44 -0.26 -2.25 115.22 122.12 3i0y n HIS 92 Ca 0.01 0.10 -0.14 0.00 -2.01 0.00 0.00 57.72 55.69 3i0y n HIS 92 Cb 0.45 -0.94 -0.15 0.00 0.12 0.00 0.00 29.99 29.47 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 -2.80 -0.04 0.35 0.61 2.01 -0.97 -4.68 115.64 110.13 3i0y s THR 93 Ca -0.08 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 3i0y s THR 93 Cb 0.08 -0.08 -0.12 0.00 0.01 0.00 0.00 72.50 72.40 3i0y s THR 93 CO 0.84 0.05 1.45 0.41 -0.69 0.00 0.00 174.62 176.69 3i0y n THR 94 N 3.75 1.77 -4.37 -0.82 -1.04 -1.26 -4.41 114.28 107.89 3i0y n THR 94 Ca -0.22 -0.44 -0.24 0.00 -2.04 0.00 0.00 64.05 61.11 3i0y n THR 94 Cb 0.54 -1.85 -0.09 0.00 -1.82 0.00 0.00 70.33 67.12 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 -0.04 4.09 0.31 8.00 2.15 -1.26 -4.92 116.67 125.00 3i0y s ASP 95 Ca 0.56 -0.89 -0.30 0.00 0.43 0.00 0.00 52.55 52.36 3i0y s ASP 95 Cb -0.51 -0.56 -0.11 0.00 -0.30 0.00 0.00 42.92 41.44 3i0y s ASP 95 CO 0.60 -0.06 1.57 -1.61 -0.17 0.00 0.00 175.17 175.51 3i0y s GLU 96 N -3.63 4.12 0.00 4.34 2.02 -1.26 -3.40 118.70 120.89 3i0y s GLU 96 Ca 0.32 2.58 0.00 0.00 0.02 0.00 0.00 54.97 57.89 3i0y s GLU 96 Cb -0.04 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.18 3i0y s GLU 96 CO 0.18 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.25 3i0y n GLY 97 N 1.79 0.76 3.38 -1.39 0.00 -1.26 -5.02 105.19 103.45 3i0y n GLY 97 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 3i0y n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i0y s LEU 98 N 0.00 2.52 1.02 0.99 1.43 -1.22 -5.14 118.68 118.28 3i0y s LEU 98 Ca 0.00 -1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 51.89 3i0y s LEU 98 Cb 0.00 -0.67 0.16 0.00 0.03 0.00 0.00 46.19 45.71 3i0y s LEU 98 CO 0.00 -0.23 0.80 -2.65 0.23 0.00 0.00 176.35 174.50 3i0y n PRO 99 N -0.46 -1.10 -1.86 1.29 -0.02 -1.26 -4.79 135.00 126.79 3i0y n PRO 99 Ca -0.07 -0.28 -0.39 0.00 -2.02 0.00 0.00 63.50 60.75 3i0y n PRO 99 Cb 0.61 -2.12 0.03 0.00 -0.02 0.00 0.00 33.50 32.00 3i0y n PRO 99 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i0y s ASP 100 N -2.33 5.59 0.28 2.55 1.11 -1.26 -4.65 116.67 117.95 3i0y s ASP 100 Ca 0.64 2.74 -0.29 0.00 0.18 0.00 0.00 52.55 55.81 3i0y s ASP 100 Cb -0.22 -2.64 -0.10 0.00 1.07 0.00 0.00 42.92 41.04 3i0y s ASP 100 CO 0.63 -1.35 1.11 0.00 1.18 0.00 0.00 175.17 176.74 3i0y s ALA 101 N -1.31 3.41 -0.30 5.23 0.00 -1.26 -4.93 121.76 122.60 3i0y s ALA 101 Ca 0.67 0.91 0.18 0.00 0.00 0.00 0.00 51.96 53.72 3i0y s ALA 101 Cb -0.40 -3.33 0.46 0.00 0.00 0.00 0.00 23.12 19.86 3i0y s ALA 101 CO 0.48 -0.18 1.22 -1.71 0.00 0.00 0.00 175.76 175.57 3i0y n ASN 102 N 1.18 0.44 -2.06 0.00 5.15 -1.26 -4.79 115.26 113.92 3i0y n ASN 102 Ca -0.01 -2.23 -0.20 0.00 -0.60 0.00 0.00 54.58 51.53 3i0y n ASN 102 Cb 0.45 -0.05 -0.04 0.00 -0.53 0.00 0.00 39.78 39.61 3i0y n ASN 102 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i0y n GLY 103 N -0.75 0.38 3.76 8.20 0.00 -0.95 -4.94 105.19 110.88 3i0y n GLY 103 Ca -0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.57 4.14 0.06 1.61 1.11 -1.21 -4.72 119.66 116.09 3i0y s GLN 104 Ca 0.00 2.53 0.00 0.00 0.01 0.00 0.00 55.36 57.90 3i0y s GLN 104 Cb 0.00 -3.03 -0.04 0.00 -1.01 0.00 0.00 33.01 28.93 3i0y s GLN 104 CO 0.00 -0.57 0.20 0.95 0.01 0.00 0.00 175.29 175.87 3i0y s THR 105 N -0.23 5.32 0.02 -0.19 -4.23 -1.26 -0.67 115.64 114.40 3i0y s THR 105 Ca 0.60 -0.40 0.03 0.00 -1.18 0.00 0.00 61.69 60.74 3i0y s THR 105 Cb -0.47 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 69.77 3i0y s THR 105 CO 0.50 0.15 -0.10 -0.72 -0.54 0.00 0.00 174.62 173.91 3i0y s TYR 106 N -1.49 0.90 -0.07 3.99 1.13 -0.23 -4.79 117.35 116.79 3i0y s TYR 106 Ca 0.34 -0.28 -0.03 0.00 -1.41 0.00 0.00 57.07 55.69 3i0y s TYR 106 Cb -0.13 -0.55 0.04 0.00 -1.10 0.00 0.00 41.96 40.22 3i0y s TYR 106 CO 0.27 -0.01 0.12 0.08 -2.51 0.00 0.00 175.55 173.50 3i0y s VAL 107 N -0.65 -0.20 0.03 -3.49 1.01 -1.25 -0.95 120.40 114.90 3i0y s VAL 107 Ca 0.00 0.37 -0.28 0.00 0.00 0.00 0.00 61.98 62.07 3i0y s VAL 107 Cb -0.06 -0.25 0.07 0.00 0.00 0.00 0.00 36.38 36.14 3i0y s VAL 107 CO 0.00 0.15 0.66 -1.48 0.00 0.00 0.00 175.10 174.43 3i0y s LEU 108 N 2.24 -0.62 0.73 3.92 2.34 -0.58 -4.98 118.68 121.73 3i0y s LEU 108 Ca 0.04 0.43 -0.12 0.00 0.06 0.00 0.00 54.13 54.54 3i0y s LEU 108 Cb -0.12 2.54 0.03 0.00 -0.56 0.00 0.00 46.19 48.08 3i0y s LEU 108 CO -0.05 -0.74 1.10 -2.84 -1.06 0.00 0.00 176.35 172.76 3i0y s PRO 109 N -2.19 2.49 0.35 1.48 0.02 -1.26 -0.27 135.00 135.62 3i0y s PRO 109 Ca -0.06 1.25 -0.10 0.00 0.02 0.00 0.00 61.00 62.10 3i0y s PRO 109 Cb -0.00 -1.92 0.04 0.00 0.02 0.00 0.00 34.50 32.64 3i0y s PRO 109 CO 0.01 -1.47 0.65 0.41 -0.33 0.00 0.00 177.00 176.27 3i0y n GLY 110 N -0.97 1.37 3.50 0.52 0.00 -0.14 -4.46 105.19 105.01 3i0y n GLY 110 Ca 0.09 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 3i0y n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i0y s GLY 111 N -2.92 -0.48 0.09 -0.02 0.00 -0.68 -1.87 107.32 101.44 3i0y s GLY 111 Ca 0.18 1.00 -0.09 0.00 0.00 0.00 0.00 44.72 45.81 3i0y s GLY 111 CO 0.13 0.36 0.19 0.00 0.00 0.00 0.00 173.10 173.78 3i0y s ALA 112 N -3.06 -0.24 0.07 3.20 0.00 0.28 -0.31 121.76 121.70 3i0y s ALA 112 Ca 0.04 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 51.46 3i0y s ALA 112 Cb -0.01 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 3i0y s ALA 112 CO -0.09 -0.51 -0.18 -0.06 0.00 0.00 0.00 175.76 174.92 3i0y s PHE 113 N -3.84 1.57 0.03 0.00 0.08 -0.34 -0.88 117.98 114.60 3i0y s PHE 113 Ca 0.05 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.73 3i0y s PHE 113 Cb 0.05 -0.90 -0.02 0.00 -0.57 0.00 0.00 43.02 41.58 3i0y s PHE 113 CO -0.11 0.11 -0.09 -0.06 -0.10 0.00 0.00 175.22 174.98 3i0y s PHE 114 N -1.02 0.76 -0.17 0.36 0.40 0.33 -0.81 117.98 117.83 3i0y s PHE 114 Ca 0.04 -0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 55.93 3i0y s PHE 114 Cb -0.09 -0.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.94 3i0y s PHE 114 CO 0.03 -0.03 0.11 -0.51 0.70 0.00 0.00 175.22 175.51 3i0y s ASP 115 N -1.11 6.05 -0.21 1.36 1.01 -1.00 -1.64 116.67 121.13 3i0y s ASP 115 Ca -0.04 0.24 -0.02 0.00 0.71 0.00 0.00 52.55 53.44 3i0y s ASP 115 Cb -0.07 -2.02 0.01 0.00 1.01 0.00 0.00 42.92 41.84 3i0y s ASP 115 CO 0.00 0.23 -0.11 -0.69 0.21 0.00 0.00 175.17 174.82 3i0y s VAL 116 N 0.02 2.79 -0.19 -1.27 1.01 -0.09 -0.93 120.40 121.73 3i0y s VAL 116 Ca 0.08 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 3i0y s VAL 116 Cb -0.12 -2.26 0.05 0.00 0.00 0.00 0.00 36.38 34.06 3i0y s VAL 116 CO -0.00 0.44 0.51 -0.13 0.00 0.00 0.00 175.10 175.91 3i0y s ARG 117 N 1.38 0.58 -1.44 2.72 0.52 0.15 -4.36 118.95 118.50 3i0y s ARG 117 Ca 0.05 0.74 -0.03 0.00 -0.52 0.00 0.00 55.73 55.97 3i0y s ARG 117 Cb -0.14 0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.58 3i0y s ARG 117 CO -0.07 -0.08 0.29 -0.25 0.02 0.00 0.00 175.30 175.20 3i0y n ASP 118 N 3.03 -0.26 0.00 0.23 9.92 -1.26 -2.36 116.55 125.86 3i0y n ASP 118 Ca -0.15 -1.13 0.00 0.00 -0.53 0.00 0.00 54.79 52.99 3i0y n ASP 118 Cb 0.56 -2.45 0.00 0.00 -0.64 0.00 0.00 41.12 38.60 3i0y n ASP 118 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i0y n GLY 119 N -2.20 2.50 3.44 0.44 0.00 -1.26 -5.02 105.19 103.08 3i0y n GLY 119 Ca -0.30 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.29 1.81 -0.25 1.61 -0.21 -0.99 -5.07 119.66 116.26 3i0y s GLN 120 Ca 0.00 -2.07 -0.23 0.00 0.02 0.00 0.00 55.36 53.08 3i0y s GLN 120 Cb 0.00 -0.41 -0.01 0.00 1.00 0.00 0.00 33.01 33.59 3i0y s GLN 120 CO 0.00 -0.47 0.76 0.42 -2.12 0.00 0.00 175.29 173.89 3i0y s ILE 121 N -3.34 4.88 -0.59 1.08 1.01 -0.32 -0.68 121.20 123.25 3i0y s ILE 121 Ca 0.29 1.41 0.14 0.00 0.00 0.00 0.00 60.65 62.50 3i0y s ILE 121 Cb 0.04 -4.06 -0.16 0.00 0.01 0.00 0.00 42.46 38.28 3i0y s ILE 121 CO 0.17 -0.05 0.57 0.35 0.00 0.00 0.00 174.94 175.98 3i0y n THR 122 N 5.25 0.00 -3.72 2.92 -2.24 -0.11 -0.55 114.28 115.83 3i0y n THR 122 Ca 0.04 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 3i0y n THR 122 Cb 0.48 0.89 -0.11 0.00 -2.10 0.00 0.00 70.33 69.49 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 -2.43 0.40 -0.21 -0.78 3.52 -1.21 -1.33 118.95 116.90 3i0y s ARG 123 Ca 0.04 0.65 0.01 0.00 -0.13 0.00 0.00 55.73 56.30 3i0y s ARG 123 Cb 0.11 0.07 0.05 0.00 -1.56 0.00 0.00 34.95 33.61 3i0y s ARG 123 CO 0.59 -0.11 -0.10 0.08 -0.81 0.00 0.00 175.30 174.95 3i0y s VAL 124 N 0.87 1.68 -0.29 7.11 1.01 0.17 -2.38 120.40 128.58 3i0y s VAL 124 Ca -0.05 -1.12 -0.00 0.00 0.00 0.00 0.00 61.98 60.81 3i0y s VAL 124 Cb -0.06 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.58 3i0y s VAL 124 CO -0.07 0.10 -0.04 -0.89 0.00 0.00 0.00 175.10 174.21 3i0y s THR 125 N 1.36 2.69 -0.00 3.92 2.01 0.01 -0.71 115.64 124.93 3i0y s THR 125 Ca -0.03 -1.48 -0.00 0.00 0.31 0.00 0.00 61.69 60.49 3i0y s THR 125 Cb -0.17 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 3i0y s THR 125 CO -0.08 -0.08 0.08 0.21 -0.69 0.00 0.00 174.62 174.06 3i0y s ASN 126 N 1.20 5.66 0.01 3.53 2.47 -0.88 -1.20 114.94 125.73 3i0y s ASN 126 Ca -0.06 0.14 0.01 0.00 0.42 0.00 0.00 52.86 53.36 3i0y s ASN 126 Cb -0.20 -1.62 -0.01 0.00 -1.45 0.00 0.00 41.25 37.97 3i0y s ASN 126 CO -0.02 0.27 -0.03 -0.31 -3.72 0.00 0.00 177.10 173.28 3i0y s TYR 127 N -1.19 0.30 0.22 0.43 2.02 0.58 -3.58 117.35 116.12 3i0y s TYR 127 Ca 0.23 -0.18 -0.23 0.00 -0.37 0.00 0.00 57.07 56.52 3i0y s TYR 127 Cb -0.12 -0.19 0.05 0.00 -0.40 0.00 0.00 41.96 41.30 3i0y s TYR 127 CO 0.14 -0.04 0.87 1.52 -1.57 0.00 0.00 175.55 176.46 3i0y s TYR 128 N -0.46 -0.11 -0.66 2.71 1.13 -1.26 -1.68 117.35 117.02 3i0y s TYR 128 Ca -0.03 -0.29 -0.26 0.00 -1.41 0.00 0.00 57.07 55.09 3i0y s TYR 128 Cb -0.04 0.69 0.04 0.00 -1.10 0.00 0.00 41.96 41.55 3i0y s TYR 128 CO -0.00 -1.04 1.12 1.21 -2.51 0.00 0.00 175.55 174.32 3i0y s ASN 129 N -2.98 6.25 0.24 -0.18 3.84 -1.26 -4.88 114.94 115.96 3i0y s ASN 129 Ca 0.13 -0.47 0.01 0.00 0.21 0.00 0.00 52.86 52.74 3i0y s ASN 129 Cb -0.03 -2.50 0.27 0.00 -0.55 0.00 0.00 41.25 38.44 3i0y s ASN 129 CO 0.05 -1.56 1.62 0.25 -2.79 0.00 0.00 177.10 174.67 3i0y h LEU 130 N 12.02 0.49 -0.81 3.21 5.85 -1.98 -1.94 115.31 132.15 3i0y h LEU 130 Ca -0.27 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 3i0y h LEU 130 Cb 1.06 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 3i0y h LEU 130 CO 1.20 0.86 0.37 1.56 -0.34 0.00 0.00 178.44 182.09 3i0y h GLN 131 N 0.38 1.19 -0.56 1.25 1.08 -1.99 -0.31 115.11 116.15 3i0y h GLN 131 Ca 0.03 -0.19 -0.05 0.00 -1.45 0.00 0.00 58.65 56.99 3i0y h GLN 131 Cb 0.90 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 3i0y h GLN 131 CO 0.08 0.93 0.15 1.49 -0.95 0.00 0.00 178.83 180.52 3i0y h GLU 132 N 1.16 0.89 -0.19 1.46 4.57 -1.91 -1.15 114.58 119.42 3i0y h GLU 132 Ca 0.28 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 3i0y h GLU 132 Cb 0.15 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3i0y h GLU 132 CO -0.03 0.83 0.07 2.35 -1.18 0.00 0.00 179.01 181.04 3i0y h TRP 133 N 0.80 0.29 -0.87 0.92 7.01 -0.93 -1.39 115.95 121.79 3i0y h TRP 133 Ca 0.18 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.20 3i0y h TRP 133 Cb 0.33 -0.09 -0.06 0.00 -2.10 0.00 0.00 29.16 27.24 3i0y h TRP 133 CO 0.02 0.36 0.55 0.82 -2.79 0.00 0.00 178.44 177.40 3i0y h ILE 134 N 0.14 1.09 -0.69 2.65 2.04 -0.89 -1.86 117.51 119.99 3i0y h ILE 134 Ca 0.06 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 3i0y h ILE 134 Cb 0.20 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 3i0y h ILE 134 CO -0.00 0.19 0.26 0.00 0.00 0.00 0.00 178.15 178.60 3i0y h ALA 135 N 1.38 0.90 -0.42 1.87 0.00 -0.64 -1.28 119.26 121.07 3i0y h ALA 135 Ca 0.36 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3i0y h ALA 135 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3i0y h ALA 135 CO -0.14 0.53 -0.18 1.96 0.00 0.00 0.00 179.25 181.42 3i0y h GLN 136 N 0.99 0.80 0.00 0.00 4.20 -0.61 -3.03 115.11 117.46 3i0y h GLN 136 Ca 0.23 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3i0y h GLN 136 Cb 0.23 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3i0y h GLN 136 CO -0.02 0.93 -0.30 -0.39 -0.67 0.00 0.00 178.83 178.38 3i0y h VAL 137 N 0.71 0.00 -0.30 -0.54 -1.51 -1.08 -3.19 116.25 110.34 3i0y h VAL 137 Ca 0.11 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3i0y h VAL 137 Cb 0.69 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 3i0y h VAL 137 CO 0.05 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.19 3i0y n SER 138 N -2.29 2.51 0.00 4.19 7.64 -0.51 -4.85 113.62 120.31 3i0y n SER 138 Ca 0.04 -1.87 0.13 0.00 1.01 0.00 0.00 58.87 58.19 3i0y n SER 138 Cb 0.45 -0.19 0.77 0.00 -1.01 0.00 0.00 64.21 64.23 3i0y n SER 138 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57