#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4y s PHE 2 N 0.00 3.04 0.55 1.61 0.08 -1.26 -4.99 117.98 117.01 1i4y s PHE 2 Ca 0.00 1.55 -0.21 0.00 0.12 0.00 0.00 56.93 58.39 1i4y s PHE 2 Cb 0.00 -3.39 -0.05 0.00 -0.57 0.00 0.00 43.02 39.01 1i4y s PHE 2 CO 0.00 -1.34 1.23 -1.25 -0.10 0.00 0.00 175.22 173.76 1i4y s PRO 3 N -2.35 3.23 -0.29 0.24 0.04 -1.26 -4.99 135.00 129.62 1i4y s PRO 3 Ca 0.58 1.91 -0.16 0.00 0.04 0.00 0.00 61.00 63.36 1i4y s PRO 3 Cb -0.30 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 1i4y s PRO 3 CO 0.38 -1.02 0.44 0.42 0.04 0.00 0.00 177.00 177.25 1i4y s ILE 4 N -1.51 5.12 0.33 0.56 -1.09 -1.26 -5.04 121.20 118.30 1i4y s ILE 4 Ca 0.72 0.58 -0.29 0.00 -2.23 0.00 0.00 60.65 59.44 1i4y s ILE 4 Cb -0.32 -3.79 -0.12 0.00 -1.58 0.00 0.00 42.46 36.65 1i4y s ILE 4 CO 0.37 0.05 1.38 -2.65 -1.23 0.00 0.00 174.94 172.86 1i4y n PRO 5 N 5.47 2.28 -3.48 2.79 -0.02 -1.26 -4.99 135.00 135.78 1i4y n PRO 5 Ca -0.07 0.80 -0.18 0.00 -2.02 0.00 0.00 63.50 62.04 1i4y n PRO 5 Cb 0.50 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.41 1i4y n PRO 5 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1i4y s ASP 6 N -0.09 1.42 0.64 2.55 2.15 -1.26 -2.99 116.67 119.09 1i4y s ASP 6 Ca 0.58 -0.29 -0.18 0.00 0.43 0.00 0.00 52.55 53.09 1i4y s ASP 6 Cb -0.56 0.40 -0.01 0.00 -0.30 0.00 0.00 42.92 42.45 1i4y s ASP 6 CO 0.59 -0.33 1.25 -2.16 -0.17 0.00 0.00 175.17 174.35 1i4y s PRO 7 N 2.33 2.63 -1.19 4.34 0.04 -1.26 -5.04 135.00 136.84 1i4y s PRO 7 Ca 0.07 1.94 -0.21 0.00 0.04 0.00 0.00 61.00 62.84 1i4y s PRO 7 Cb -0.16 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1i4y s PRO 7 CO -0.15 -1.51 1.86 -0.47 0.04 0.00 0.00 177.00 176.77 1i4y s TYR 8 N -1.55 2.22 0.08 0.56 6.14 -1.16 -4.88 117.35 118.76 1i4y s TYR 8 Ca 0.80 -0.22 0.04 0.00 0.64 0.00 0.00 57.07 58.33 1i4y s TYR 8 Cb -0.34 -4.26 -0.03 0.00 0.42 0.00 0.00 41.96 37.75 1i4y s TYR 8 CO 0.38 -1.45 -0.11 0.14 0.64 0.00 0.00 175.55 175.15 1i4y s VAL 9 N 8.64 0.92 0.69 3.14 -7.23 -1.26 -4.47 120.40 120.83 1i4y s VAL 9 Ca 0.63 -1.45 -0.16 0.00 -1.81 0.00 0.00 61.98 59.19 1i4y s VAL 9 Cb 0.00 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.82 1i4y s VAL 9 CO 0.10 -0.44 1.24 0.86 -0.31 0.00 0.00 175.10 176.56 1i4y s TRP 10 N -1.93 2.05 0.08 2.82 -0.00 -1.26 -4.89 118.94 115.82 1i4y s TRP 10 Ca 0.01 1.55 -0.11 0.00 -0.00 0.00 0.00 56.10 57.55 1i4y s TRP 10 Cb -0.06 -3.57 0.01 0.00 -0.00 0.00 0.00 33.47 29.85 1i4y s TRP 10 CO 0.01 -2.75 0.25 0.16 -0.00 0.00 0.00 176.95 174.62 1i4y s ASP 11 N -1.74 -0.01 0.58 5.86 1.47 -1.26 -5.05 116.67 116.52 1i4y s ASP 11 Ca 0.78 -0.45 0.32 0.00 1.18 0.00 0.00 52.55 54.38 1i4y s ASP 11 Cb -0.33 0.36 1.36 0.00 -0.34 0.00 0.00 42.92 43.98 1i4y s ASP 11 CO 0.42 -0.70 1.68 -0.65 0.68 0.00 0.00 175.17 176.60 1i4y h PRO 12 N 2.87 0.00 0.00 2.11 0.11 -2.01 -0.83 132.00 134.25 1i4y h PRO 12 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1i4y h PRO 12 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1i4y h PRO 12 CO 0.51 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.17 1i4y n SER 13 N -3.71 0.66 -0.81 -2.05 3.41 -1.26 -1.67 113.62 108.19 1i4y n SER 13 Ca 0.20 0.72 0.11 0.00 -0.26 0.00 0.00 58.87 59.63 1i4y n SER 13 Cb 1.18 -0.84 0.29 0.00 -0.26 0.00 0.00 64.21 64.58 1i4y n SER 13 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1i4y n PHE 14 N -2.29 0.36 -1.81 7.33 3.01 -0.32 -4.97 117.46 118.77 1i4y n PHE 14 Ca 0.01 -0.18 -0.42 0.00 1.01 0.00 0.00 57.45 57.87 1i4y n PHE 14 Cb 0.15 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.59 1i4y n PHE 14 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1i4y s ARG 15 N -1.64 4.16 -0.00 -1.08 3.52 -0.67 -4.89 118.95 118.34 1i4y s ARG 15 Ca 0.34 2.50 0.20 0.00 -0.13 0.00 0.00 55.73 58.64 1i4y s ARG 15 Cb 0.19 -3.30 -0.23 0.00 -1.56 0.00 0.00 34.95 30.05 1i4y s ARG 15 CO 0.28 -0.73 0.84 0.25 -0.81 0.00 0.00 175.30 175.12 1i4y n THR 16 N 4.28 0.00 -1.06 4.11 -2.24 -1.26 -4.97 114.28 113.13 1i4y n THR 16 Ca 0.16 -0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 1i4y n THR 16 Cb 0.38 0.92 -0.01 0.00 -2.10 0.00 0.00 70.33 69.52 1i4y n THR 16 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1i4y n PHE 17 N -1.54 0.00 -3.93 4.78 3.72 -1.26 -4.82 117.46 114.40 1i4y n PHE 17 Ca 0.03 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.09 1i4y n PHE 17 Cb 0.34 -0.74 -0.14 0.00 -0.94 0.00 0.00 39.48 38.00 1i4y n PHE 17 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1i4y s TYR 18 N -2.05 3.36 0.19 1.38 2.02 -1.26 -5.03 117.35 115.97 1i4y s TYR 18 Ca 0.00 -2.15 -0.19 0.00 -0.37 0.00 0.00 57.07 54.36 1i4y s TYR 18 Cb 0.00 -2.30 0.14 0.00 -0.40 0.00 0.00 41.96 39.40 1i4y s TYR 18 CO 0.00 -0.86 1.60 0.77 -1.57 0.00 0.00 175.55 175.50 1i4y h SER 19 N 7.92 -0.94 -0.26 2.29 0.02 -1.99 -0.91 113.55 119.68 1i4y h SER 19 Ca -0.18 0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1i4y h SER 19 Cb 1.05 0.49 -0.02 0.00 0.14 0.00 0.00 62.40 64.06 1i4y h SER 19 CO 0.54 -0.28 0.14 -0.29 -1.14 0.00 0.00 176.83 175.81 1i4y h ILE 20 N -0.13 1.02 0.06 3.27 2.10 -1.99 -1.94 117.51 119.89 1i4y h ILE 20 Ca 0.24 -0.10 -0.00 0.00 1.08 0.00 0.00 64.86 66.07 1i4y h ILE 20 Cb 0.52 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 1i4y h ILE 20 CO -0.63 0.05 -0.03 0.40 -1.08 0.00 0.00 178.15 176.87 1i4y h ILE 21 N 0.30 0.99 -0.83 2.19 1.08 -1.93 -1.16 117.51 118.14 1i4y h ILE 21 Ca 0.10 -0.15 0.02 0.00 -0.39 0.00 0.00 64.86 64.44 1i4y h ILE 21 Cb 0.01 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 1i4y h ILE 21 CO -0.06 0.04 0.55 0.44 -0.69 0.00 0.00 178.15 178.43 1i4y h ASP 22 N -0.15 0.93 -0.43 1.72 3.32 -1.08 0.32 116.42 121.04 1i4y h ASP 22 Ca -0.01 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 1i4y h ASP 22 Cb 0.13 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1i4y h ASP 22 CO 0.01 0.65 -0.19 0.44 -1.72 0.00 0.00 179.24 178.44 1i4y h ASP 23 N 1.08 0.94 -0.49 6.45 3.45 -1.13 -1.81 116.42 124.91 1i4y h ASP 23 Ca 0.32 -0.34 -0.10 0.00 0.43 0.00 0.00 57.03 57.34 1i4y h ASP 23 Cb -0.05 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.44 1i4y h ASP 23 CO -0.08 1.11 -0.07 -0.33 -1.57 0.00 0.00 179.24 178.29 1i4y h GLU 24 N 0.81 0.96 -0.71 3.56 5.08 -0.04 -2.56 114.58 121.69 1i4y h GLU 24 Ca 0.11 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1i4y h GLU 24 Cb 0.74 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1i4y h GLU 24 CO 0.06 0.99 0.47 0.45 -1.00 0.00 0.00 179.01 179.98 1i4y h HIS 25 N 0.87 0.87 -0.35 4.33 3.86 -0.08 -1.23 115.15 123.41 1i4y h HIS 25 Ca 0.14 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1i4y h HIS 25 Cb 0.61 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 1i4y h HIS 25 CO 0.04 0.54 0.19 0.87 0.86 0.00 0.00 177.93 180.42 1i4y h LYS 26 N 0.93 0.48 0.00 2.45 1.57 -0.91 -1.88 116.57 119.21 1i4y h LYS 26 Ca 0.27 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1i4y h LYS 26 Cb -0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1i4y h LYS 26 CO -0.06 0.36 -0.43 1.79 -0.57 0.00 0.00 179.45 180.53 1i4y h THR 27 N 0.49 1.03 -0.08 -0.16 1.35 -1.14 -2.54 112.91 111.86 1i4y h THR 27 Ca 0.13 -1.65 -0.19 0.00 -0.55 0.00 0.00 66.41 64.15 1i4y h THR 27 Cb 0.02 1.97 0.01 0.00 -1.73 0.00 0.00 68.15 68.42 1i4y h THR 27 CO -0.02 0.42 -0.68 -0.07 -0.25 0.00 0.00 175.52 174.92 1i4y h LEU 28 N 0.00 0.74 -0.55 3.87 3.38 -1.14 -1.63 115.31 119.98 1i4y h LEU 28 Ca -0.00 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 1i4y h LEU 28 Cb 0.93 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1i4y h LEU 28 CO 0.06 1.30 0.29 -0.26 0.09 0.00 0.00 178.44 179.92 1i4y h PHE 29 N 0.23 0.77 -0.74 1.13 -1.00 -1.44 -1.50 116.94 114.39 1i4y h PHE 29 Ca -0.06 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.64 1i4y h PHE 29 Cb 1.34 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 40.62 1i4y h PHE 29 CO 0.11 0.57 0.27 -0.97 -1.61 0.00 0.00 178.31 176.68 1i4y h ASN 30 N 0.74 1.04 -0.05 2.17 -1.24 -1.45 0.49 115.58 117.27 1i4y h ASN 30 Ca 0.19 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1i4y h ASN 30 Cb 0.07 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 38.84 1i4y h ASN 30 CO -0.03 0.94 0.03 1.23 -1.29 0.00 0.00 177.43 178.31 1i4y h GLY 31 N 1.12 0.07 1.48 1.57 0.00 -0.79 -2.65 103.07 103.86 1i4y h GLY 31 Ca 0.25 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.47 1i4y h GLY 31 CO -0.02 0.03 -0.12 -2.22 0.00 0.00 0.00 176.54 174.21 1i4y h ILE 32 N 0.06 1.25 -0.49 2.60 2.04 -1.09 -2.58 117.51 119.30 1i4y h ILE 32 Ca 0.02 -1.11 0.09 0.00 1.00 0.00 0.00 64.86 64.86 1i4y h ILE 32 Cb 0.00 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 1i4y h ILE 32 CO -0.00 0.37 0.06 0.15 0.00 0.00 0.00 178.15 178.72 1i4y h PHE 33 N 0.57 0.08 0.00 1.37 3.57 -0.56 -0.84 116.94 121.14 1i4y h PHE 33 Ca 0.10 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.43 1i4y h PHE 33 Cb 0.55 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1i4y h PHE 33 CO 0.02 -0.05 -0.89 0.45 -2.23 0.00 0.00 178.31 175.61 1i4y h HIS 34 N 0.18 0.38 -0.58 0.41 3.86 -1.42 -3.08 115.15 114.89 1i4y h HIS 34 Ca 0.25 -0.21 0.04 0.00 -1.16 0.00 0.00 60.37 59.29 1i4y h HIS 34 Cb 0.35 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 1i4y h HIS 34 CO -0.26 1.02 0.39 -0.07 0.86 0.00 0.00 177.93 179.87 1i4y h LEU 35 N 0.14 0.58 -1.33 2.43 3.38 -1.01 0.11 115.31 119.60 1i4y h LEU 35 Ca -0.05 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1i4y h LEU 35 Cb 1.52 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 1i4y h LEU 35 CO 0.14 0.40 -0.29 0.00 0.09 0.00 0.00 178.44 178.78 1i4y h ALA 36 N 1.66 1.21 0.04 1.53 0.00 -1.08 -3.01 119.26 119.61 1i4y h ALA 36 Ca 0.24 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1i4y h ALA 36 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1i4y h ALA 36 CO -0.06 0.36 -1.14 0.82 0.00 0.00 0.00 179.25 179.23 1i4y h ILE 37 N 0.00 1.07 -3.21 0.00 2.04 -1.16 -3.45 117.51 112.80 1i4y h ILE 37 Ca -0.00 -2.27 -0.55 0.00 1.00 0.00 0.00 64.86 63.04 1i4y h ILE 37 Cb 0.65 2.55 -0.40 0.00 -0.74 0.00 0.00 36.82 38.88 1i4y h ILE 37 CO 0.04 0.50 -0.76 -1.81 0.00 0.00 0.00 178.15 176.11 1i4y s ASP 38 N -6.81 3.41 -1.35 1.72 1.01 0.22 -5.05 116.67 109.84 1i4y s ASP 38 Ca -0.25 -1.17 -0.14 0.00 0.71 0.00 0.00 52.55 51.70 1i4y s ASP 38 Cb 0.04 -0.70 0.09 0.00 1.01 0.00 0.00 42.92 43.36 1i4y s ASP 38 CO 0.66 -0.35 1.92 -0.67 0.21 0.00 0.00 175.17 176.94 1i4y n ASP 39 N 4.97 4.60 -4.75 0.27 4.64 -1.14 -4.30 116.55 120.85 1i4y n ASP 39 Ca -0.06 -2.94 -0.33 0.00 -1.38 0.00 0.00 54.79 50.08 1i4y n ASP 39 Cb 0.45 -1.63 -0.07 0.00 -1.04 0.00 0.00 41.12 38.82 1i4y n ASP 39 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1i4y s ASN 40 N 2.92 4.10 0.17 1.67 6.03 -1.26 -5.04 114.94 123.52 1i4y s ASN 40 Ca 0.47 -1.68 -0.13 0.00 -1.03 0.00 0.00 52.86 50.49 1i4y s ASN 40 Cb 0.08 0.59 0.06 0.00 -3.03 0.00 0.00 41.25 38.95 1i4y s ASN 40 CO -0.01 -0.88 1.77 0.00 -2.03 0.00 0.00 177.10 175.94 1i4y h ALA 41 N 1.34 0.71 -0.36 3.54 0.00 -1.99 -2.01 119.26 120.49 1i4y h ALA 41 Ca -0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1i4y h ALA 41 Cb 1.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1i4y h ALA 41 CO 0.73 0.25 0.16 -0.44 0.00 0.00 0.00 179.25 179.94 1i4y h ASP 42 N 0.74 0.49 -0.15 0.00 5.19 -1.97 0.12 116.42 120.85 1i4y h ASP 42 Ca 0.19 -0.15 -0.11 0.00 -0.62 0.00 0.00 57.03 56.33 1i4y h ASP 42 Cb 0.08 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 1i4y h ASP 42 CO -0.03 0.51 -0.28 0.78 -3.12 0.00 0.00 179.24 177.10 1i4y h ASN 43 N 0.44 0.64 -0.07 6.45 2.35 -1.83 -1.81 115.58 121.75 1i4y h ASN 43 Ca 0.12 -0.24 -0.16 0.00 -0.55 0.00 0.00 56.30 55.47 1i4y h ASN 43 Cb 0.16 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1i4y h ASN 43 CO -0.01 0.89 -0.53 0.25 -1.65 0.00 0.00 177.43 176.38 1i4y h LEU 44 N 0.54 0.72 -0.80 1.61 5.85 -1.23 -2.72 115.31 119.28 1i4y h LEU 44 Ca 0.07 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 1i4y h LEU 44 Cb 0.76 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1i4y h LEU 44 CO 0.06 1.11 0.29 1.23 -0.34 0.00 0.00 178.44 180.79 1i4y h GLY 45 N 0.96 1.26 0.84 3.75 0.00 -0.52 0.32 103.07 109.69 1i4y h GLY 45 Ca 0.01 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 1i4y h GLY 45 CO 0.11 0.67 -0.04 -2.09 0.00 0.00 0.00 176.54 175.18 1i4y h GLU 46 N 1.14 -0.10 -0.59 4.80 4.57 -1.29 -0.33 114.58 122.77 1i4y h GLU 46 Ca 0.26 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1i4y h GLU 46 Cb 0.25 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 1i4y h GLU 46 CO -0.02 0.08 0.38 1.25 -1.18 0.00 0.00 179.01 179.52 1i4y h LEU 47 N -0.27 0.69 -1.05 1.64 5.85 -1.32 -2.12 115.31 118.73 1i4y h LEU 47 Ca -0.01 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1i4y h LEU 47 Cb 0.23 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1i4y h LEU 47 CO 0.02 0.52 0.61 -0.09 -0.34 0.00 0.00 178.44 179.16 1i4y h ARG 48 N 0.80 1.25 0.38 1.25 9.65 -0.17 0.12 114.38 127.67 1i4y h ARG 48 Ca 0.21 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 58.99 1i4y h ARG 48 Cb -0.06 -0.28 0.00 0.00 -1.39 0.00 0.00 29.97 28.24 1i4y h ARG 48 CO -0.04 0.84 -0.18 -0.09 2.80 0.00 0.00 179.97 183.29 1i4y h ARG 49 N 1.29 -0.50 -1.00 0.20 2.43 -0.71 -0.86 114.38 115.24 1i4y h ARG 49 Ca 0.34 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.59 1i4y h ARG 49 Cb -0.13 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 1i4y h ARG 49 CO -0.07 -0.19 0.65 0.00 -1.51 0.00 0.00 179.97 178.85 1i4y h THR 51 N 1.23 0.95 -0.64 0.00 2.02 -0.77 0.38 112.91 116.09 1i4y h THR 51 Ca 0.41 -0.65 0.08 0.00 0.77 0.00 0.00 66.41 67.02 1i4y h THR 51 Cb 0.06 1.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 1i4y h THR 51 CO -0.14 0.15 0.30 1.23 0.37 0.00 0.00 175.52 177.43 1i4y h GLY 52 N -0.54 0.93 0.70 2.16 0.00 -0.83 -0.83 103.07 104.65 1i4y h GLY 52 Ca -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1i4y h GLY 52 CO 0.04 0.06 -0.00 1.70 0.00 0.00 0.00 176.54 178.33 1i4y h LYS 53 N 0.54 0.08 -0.31 4.80 3.64 -1.06 -2.47 116.57 121.79 1i4y h LYS 53 Ca 0.31 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1i4y h LYS 53 Cb 0.30 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1i4y h LYS 53 CO -0.25 0.38 0.16 1.25 -2.27 0.00 0.00 179.45 178.72 1i4y h HIS 54 N -0.23 0.30 -0.66 1.91 2.76 -0.65 0.06 115.15 118.63 1i4y h HIS 54 Ca 0.01 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1i4y h HIS 54 Cb 0.35 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 1i4y h HIS 54 CO 0.04 0.16 0.43 0.74 -1.30 0.00 0.00 177.93 178.00 1i4y h PHE 55 N 0.33 0.80 -0.23 5.26 0.04 -1.18 0.15 116.94 122.11 1i4y h PHE 55 Ca 0.13 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.89 1i4y h PHE 55 Cb 0.04 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1i4y h PHE 55 CO -0.09 0.49 0.02 1.25 -0.60 0.00 0.00 178.31 179.38 1i4y h LEU 56 N 0.86 0.38 -0.57 1.54 5.85 -1.22 -0.03 115.31 122.13 1i4y h LEU 56 Ca 0.25 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1i4y h LEU 56 Cb -0.05 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1i4y h LEU 56 CO -0.07 0.56 0.28 0.78 -0.34 0.00 0.00 178.44 179.65 1i4y h ASN 57 N 0.19 0.73 -0.79 1.25 -0.26 -0.71 -0.38 115.58 115.62 1i4y h ASN 57 Ca 0.07 -0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.65 1i4y h ASN 57 Cb 0.35 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.39 1i4y h ASN 57 CO 0.01 0.65 0.35 -0.08 -1.06 0.00 0.00 177.43 177.29 1i4y h GLU 58 N 0.77 1.15 -0.71 0.81 4.81 -0.62 -1.19 114.58 119.60 1i4y h GLU 58 Ca 0.20 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1i4y h GLU 58 Cb 0.10 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1i4y h GLU 58 CO -0.03 0.91 0.26 1.96 -0.73 0.00 0.00 179.01 181.39 1i4y h GLN 59 N 1.13 1.09 -0.67 1.92 4.20 -0.54 -0.04 115.11 122.20 1i4y h GLN 59 Ca 0.27 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1i4y h GLN 59 Cb 0.16 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1i4y h GLN 59 CO -0.03 0.91 0.26 0.28 -0.67 0.00 0.00 178.83 179.58 1i4y h VAL 60 N 1.04 1.24 -0.47 -0.54 2.07 -0.55 0.12 116.25 119.17 1i4y h VAL 60 Ca 0.24 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 1i4y h VAL 60 Cb 0.25 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1i4y h VAL 60 CO -0.01 0.30 0.03 0.25 0.02 0.00 0.00 177.57 178.16 1i4y h LEU 61 N 0.94 0.78 -0.72 2.57 5.85 -0.90 -0.18 115.31 123.65 1i4y h LEU 61 Ca 0.22 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1i4y h LEU 61 Cb 0.21 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1i4y h LEU 61 CO -0.02 0.88 0.38 0.24 -0.34 0.00 0.00 178.44 179.59 1i4y h MET 62 N 0.66 1.02 0.00 1.25 2.86 -0.68 -2.34 114.93 117.69 1i4y h MET 62 Ca 0.14 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1i4y h MET 62 Cb 0.46 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1i4y h MET 62 CO 0.02 0.77 -0.26 1.96 1.06 0.00 0.00 176.91 180.46 1i4y h GLN 63 N 1.00 0.00 0.00 1.72 4.20 -0.35 0.11 115.11 121.79 1i4y h GLN 63 Ca 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1i4y h GLN 63 Cb 0.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1i4y h GLN 63 CO -0.04 0.26 -0.03 0.00 -0.67 0.00 0.00 178.83 178.36 1i4y h ALA 64 N 1.74 1.46 0.00 3.87 0.00 -0.46 -1.41 119.26 124.45 1i4y h ALA 64 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1i4y h ALA 64 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1i4y h ALA 64 CO 0.03 0.04 -0.02 0.43 0.00 0.00 0.00 179.25 179.73 1i4y n SER 65 N -3.78 2.23 -4.07 0.00 7.64 -1.12 -4.99 113.62 109.52 1i4y n SER 65 Ca -0.03 -2.92 -0.28 0.00 1.01 0.00 0.00 58.87 56.65 1i4y n SER 65 Cb 0.12 -0.37 -0.04 0.00 -1.01 0.00 0.00 64.21 62.91 1i4y n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i4y n GLN 66 N -1.28 -2.74 -1.57 1.43 6.02 -0.53 -4.77 117.38 113.94 1i4y n GLN 66 Ca 0.14 0.33 -0.59 0.00 -0.01 0.00 0.00 57.00 56.86 1i4y n GLN 66 Cb 0.60 -4.40 -0.08 0.00 1.02 0.00 0.00 30.24 27.38 1i4y n GLN 66 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1i4y n TYR 67 N -4.44 1.03 -0.28 1.08 -0.00 0.37 -4.86 117.16 110.07 1i4y n TYR 67 Ca -0.26 0.98 0.01 0.00 -0.00 0.00 0.00 57.90 58.63 1i4y n TYR 67 Cb 0.66 -2.17 0.14 0.00 -0.00 0.00 0.00 39.34 37.97 1i4y n TYR 67 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.86 177.23 1i4y h GLN 68 N 3.77 0.77 -0.91 2.98 4.15 -1.90 -2.89 115.11 121.08 1i4y h GLN 68 Ca -0.49 -0.05 -0.57 0.00 0.77 0.00 0.00 58.65 58.31 1i4y h GLN 68 Cb 1.40 -0.17 -0.29 0.00 0.21 0.00 0.00 27.48 28.62 1i4y h GLN 68 CO 0.74 0.51 0.56 1.19 -1.93 0.00 0.00 178.83 179.90 1i4y n PHE 69 N -4.73 2.93 -0.00 3.99 3.01 -1.26 -4.68 117.46 116.71 1i4y n PHE 69 Ca 0.12 -2.45 -0.11 0.00 1.01 0.00 0.00 57.45 56.01 1i4y n PHE 69 Cb 0.22 -1.10 -0.06 0.00 -0.01 0.00 0.00 39.48 38.53 1i4y n PHE 69 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 1i4y h TYR 70 N 1.61 0.12 -0.25 1.38 5.03 -1.88 -2.55 116.97 120.42 1i4y h TYR 70 Ca 0.56 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.90 1i4y h TYR 70 Cb 1.61 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.82 1i4y h TYR 70 CO 1.40 0.15 0.04 -0.44 -1.32 0.00 0.00 178.16 177.99 1i4y h ASP 71 N 0.05 -0.00 -0.72 -2.11 3.32 -1.86 0.14 116.42 115.23 1i4y h ASP 71 Ca 0.03 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1i4y h ASP 71 Cb 0.07 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1i4y h ASP 71 CO -0.00 0.03 0.30 1.05 -1.72 0.00 0.00 179.24 178.90 1i4y h GLU 72 N 0.14 1.08 -0.34 3.56 -0.00 -1.93 -2.30 114.58 114.80 1i4y h GLU 72 Ca 0.12 -0.18 -0.04 0.00 -0.00 0.00 0.00 59.36 59.25 1i4y h GLU 72 Cb 0.12 -0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 28.68 1i4y h GLU 72 CO -0.16 0.88 0.06 1.25 -0.00 0.00 0.00 179.01 181.04 1i4y h HIS 73 N 1.06 0.59 -0.75 2.06 2.76 -0.97 -2.62 115.15 117.29 1i4y h HIS 73 Ca 0.25 -0.08 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 1i4y h HIS 73 Cb 0.19 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 28.95 1i4y h HIS 73 CO 0.02 0.61 0.48 -0.22 -1.30 0.00 0.00 177.93 177.52 1i4y h LYS 74 N 0.39 0.93 -1.01 5.26 3.64 -0.56 -2.05 116.57 123.18 1i4y h LYS 74 Ca 0.10 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1i4y h LYS 74 Cb 0.34 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 1i4y h LYS 74 CO 0.01 0.62 0.66 0.87 -2.27 0.00 0.00 179.45 179.33 1i4y h LYS 75 N 0.96 1.23 -0.35 1.90 1.57 -1.25 0.14 116.57 120.77 1i4y h LYS 75 Ca 0.29 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1i4y h LYS 75 Cb -0.04 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 31.97 1i4y h LYS 75 CO -0.09 0.81 0.14 0.93 -0.57 0.00 0.00 179.45 180.68 1i4y h GLU 76 N 1.27 0.53 -0.36 3.15 4.39 -1.02 -2.46 114.58 120.08 1i4y h GLU 76 Ca 0.40 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 60.06 1i4y h GLU 76 Cb 0.02 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 1i4y h GLU 76 CO -0.13 0.52 0.09 0.45 -1.16 0.00 0.00 179.01 178.78 1i4y h HIS 77 N 0.43 0.15 -0.99 4.33 3.86 -0.71 -2.26 115.15 119.96 1i4y h HIS 77 Ca 0.12 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.44 1i4y h HIS 77 Cb 0.19 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 28.57 1i4y h HIS 77 CO -0.00 0.04 0.62 0.93 0.86 0.00 0.00 177.93 180.38 1i4y h GLU 78 N 0.22 1.03 -0.82 2.45 5.08 -0.77 -2.05 114.58 119.71 1i4y h GLU 78 Ca 0.17 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1i4y h GLU 78 Cb 0.18 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1i4y h GLU 78 CO -0.21 0.68 0.36 1.15 -1.00 0.00 0.00 179.01 179.99 1i4y h THR 79 N 1.06 1.26 -0.37 1.13 2.02 -0.94 0.12 112.91 117.18 1i4y h THR 79 Ca 0.46 -0.77 -0.13 0.00 0.77 0.00 0.00 66.41 66.73 1i4y h THR 79 Cb 0.32 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1i4y h THR 79 CO -0.22 0.32 -0.29 0.15 0.37 0.00 0.00 175.52 175.85 1i4y h PHE 80 N 1.18 1.01 -0.44 3.16 3.57 -1.13 -1.89 116.94 122.39 1i4y h PHE 80 Ca 0.28 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1i4y h PHE 80 Cb 0.16 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1i4y h PHE 80 CO 0.02 1.07 0.21 0.82 -2.23 0.00 0.00 178.31 178.20 1i4y h ILE 81 N 0.65 1.18 -0.85 1.41 1.08 -1.19 -0.03 117.51 119.77 1i4y h ILE 81 Ca 0.07 -0.52 0.03 0.00 -0.39 0.00 0.00 64.86 64.05 1i4y h ILE 81 Cb 0.87 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 35.28 1i4y h ILE 81 CO 0.08 0.20 0.55 -0.74 -0.69 0.00 0.00 178.15 177.55 1i4y h HIS 82 N 0.57 1.03 -0.47 1.37 2.76 -0.67 0.12 115.15 119.86 1i4y h HIS 82 Ca 0.15 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 1i4y h HIS 82 Cb 0.12 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.72 1i4y h HIS 82 CO -0.01 0.60 0.10 0.00 -1.30 0.00 0.00 177.93 177.32 1i4y h ALA 83 N 1.35 0.63 -0.23 5.26 0.00 -0.86 -1.21 119.26 124.19 1i4y h ALA 83 Ca 0.34 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1i4y h ALA 83 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1i4y h ALA 83 CO -0.11 0.34 -0.12 -0.07 0.00 0.00 0.00 179.25 179.29 1i4y h LEU 84 N 0.65 0.36 -0.19 0.00 4.07 -0.34 -1.55 115.31 118.31 1i4y h LEU 84 Ca 0.15 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1i4y h LEU 84 Cb 0.36 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1i4y h LEU 84 CO 0.01 0.52 -0.17 0.47 -1.08 0.00 0.00 178.44 178.19 1i4y n ASP 85 N -4.24 0.47 -2.76 -0.43 10.43 0.37 -3.58 116.55 116.82 1i4y n ASP 85 Ca 0.00 -0.42 -0.14 0.00 2.57 0.00 0.00 54.79 56.80 1i4y n ASP 85 Cb 0.29 -0.06 0.01 0.00 1.84 0.00 0.00 41.12 43.20 1i4y n ASP 85 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1i4y n ASN 86 N -1.08 1.93 -4.72 -2.24 3.02 -0.49 -5.06 115.26 106.62 1i4y n ASN 86 Ca 0.12 -2.96 -0.42 0.00 -0.03 0.00 0.00 54.58 51.29 1i4y n ASN 86 Cb 0.30 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 1i4y n ASN 86 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1i4y s TRP 87 N -3.06 3.07 -0.08 3.10 -0.11 -0.62 -4.80 118.94 116.45 1i4y s TRP 87 Ca 0.34 0.72 0.01 0.00 1.22 0.00 0.00 56.10 58.38 1i4y s TRP 87 Cb 0.42 -3.89 0.01 0.00 -1.50 0.00 0.00 33.47 28.52 1i4y s TRP 87 CO -0.03 -3.21 0.76 0.36 -4.62 0.00 0.00 176.95 170.22 1i4y n LYS 88 N 3.73 0.98 -0.59 5.86 -0.00 -1.26 -5.01 118.16 121.87 1i4y n LYS 88 Ca 0.13 -1.02 0.00 0.00 -0.00 0.00 0.00 58.31 57.41 1i4y n LYS 88 Cb 0.39 -1.02 0.00 0.00 -0.00 0.00 0.00 35.03 34.40 1i4y n LYS 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i4y n GLY 89 N -0.19 0.68 3.39 2.58 0.00 -1.26 -4.99 105.19 105.40 1i4y n GLY 89 Ca 0.01 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1i4y n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i4y n ASP 90 N 0.46 5.07 0.12 1.61 4.64 -1.26 -4.75 116.55 122.43 1i4y n ASP 90 Ca 0.00 -2.97 0.01 0.00 -1.38 0.00 0.00 54.79 50.45 1i4y n ASP 90 Cb 0.00 -1.61 0.33 0.00 -1.04 0.00 0.00 41.12 38.80 1i4y n ASP 90 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 1i4y h VAL 91 N 4.75 1.23 -0.52 5.18 3.04 -1.95 -2.49 116.25 125.49 1i4y h VAL 91 Ca 0.37 -1.09 -0.02 0.00 -1.01 0.00 0.00 66.70 64.95 1i4y h VAL 91 Cb 0.83 1.43 -0.02 0.00 -2.01 0.00 0.00 31.29 31.52 1i4y h VAL 91 CO 1.38 0.33 0.24 0.50 -1.01 0.00 0.00 177.57 179.01 1i4y h LYS 92 N 0.19 0.76 -0.43 4.17 3.64 -2.00 -0.67 116.57 122.23 1i4y h LYS 92 Ca 0.03 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1i4y h LYS 92 Cb 0.56 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1i4y h LYS 92 CO 0.04 0.64 0.12 2.35 -2.27 0.00 0.00 179.45 180.33 1i4y h TRP 93 N 0.70 0.72 -0.70 1.91 7.01 -1.88 -1.96 115.95 121.75 1i4y h TRP 93 Ca 0.18 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 1i4y h TRP 93 Cb 0.14 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 1i4y h TRP 93 CO -0.00 0.66 0.35 0.00 -2.79 0.00 0.00 178.44 176.66 1i4y h ALA 94 N 0.97 0.90 -0.72 2.65 0.00 -1.22 0.46 119.26 122.31 1i4y h ALA 94 Ca 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i4y h ALA 94 Cb 0.30 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1i4y h ALA 94 CO -0.00 0.44 0.44 0.87 0.00 0.00 0.00 179.25 181.01 1i4y h LYS 95 N 0.97 0.96 -0.23 0.00 1.57 -1.01 -1.84 116.57 116.99 1i4y h LYS 95 Ca 0.24 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.84 1i4y h LYS 95 Cb 0.09 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1i4y h LYS 95 CO -0.03 0.67 -0.25 1.03 -0.57 0.00 0.00 179.45 180.30 1i4y h SER 96 N 0.97 0.62 -0.50 0.86 0.87 -0.90 -2.97 113.55 112.51 1i4y h SER 96 Ca 0.26 -0.48 0.04 0.00 -1.23 0.00 0.00 61.79 60.37 1i4y h SER 96 Cb -0.06 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 1i4y h SER 96 CO -0.05 0.98 0.27 -0.25 -0.53 0.00 0.00 176.83 177.24 1i4y h TRP 97 N 0.28 0.49 0.11 2.24 7.01 0.15 -1.54 115.95 124.70 1i4y h TRP 97 Ca 0.03 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 1i4y h TRP 97 Cb 0.81 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.72 1i4y h TRP 97 CO 0.08 0.26 -0.05 1.25 -2.79 0.00 0.00 178.44 177.18 1i4y h LEU 98 N 0.53 -0.13 -0.51 0.65 5.85 -1.39 0.21 115.31 120.51 1i4y h LEU 98 Ca 0.21 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1i4y h LEU 98 Cb 0.09 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1i4y h LEU 98 CO -0.13 0.10 0.09 0.58 -0.34 0.00 0.00 178.44 178.74 1i4y h VAL 99 N -0.36 0.69 -0.00 1.05 2.07 -1.39 -1.47 116.25 116.85 1i4y h VAL 99 Ca -0.02 -0.08 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 1i4y h VAL 99 Cb 0.29 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1i4y h VAL 99 CO 0.03 0.04 -0.64 0.78 0.02 0.00 0.00 177.57 177.80 1i4y h ASN 100 N 0.23 0.01 -0.36 0.57 2.35 -1.23 -2.36 115.58 114.79 1i4y h ASN 100 Ca 0.26 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.84 1i4y h ASN 100 Cb 0.36 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1i4y h ASN 100 CO -0.35 0.65 -0.42 -0.74 -1.65 0.00 0.00 177.43 174.92 1i4y h HIS 101 N 0.01 1.11 0.08 1.19 2.76 -0.20 -1.63 115.15 118.46 1i4y h HIS 101 Ca -0.01 -0.35 -0.00 0.00 -2.20 0.00 0.00 60.37 57.81 1i4y h HIS 101 Cb 1.14 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.87 1i4y h HIS 101 CO 0.00 1.17 -0.04 0.82 -1.30 0.00 0.00 177.93 178.59 1i4y h ILE 102 N 0.72 1.19 0.00 6.26 2.04 -1.30 0.27 117.51 126.69 1i4y h ILE 102 Ca 0.05 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1i4y h ILE 102 Cb 1.02 1.94 -0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1i4y h ILE 102 CO 0.10 0.29 -0.06 0.11 0.00 0.00 0.00 178.15 178.59 1i4y h LYS 103 N -0.69 0.00 0.00 2.37 1.57 -1.49 -0.84 116.57 117.49 1i4y h LYS 103 Ca -0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1i4y h LYS 103 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1i4y h LYS 103 CO 0.02 0.06 -1.39 0.25 -0.57 0.00 0.00 179.45 177.82 1i4y n THR 104 N -3.18 0.39 -0.10 -0.16 -2.24 -0.61 -4.55 114.28 103.83 1i4y n THR 104 Ca 0.00 -0.17 -0.23 0.00 -2.27 0.00 0.00 64.05 61.39 1i4y n THR 104 Cb 0.34 -0.77 -0.12 0.00 -2.10 0.00 0.00 70.33 67.68 1i4y n THR 104 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1i4y n ILE 105 N -2.59 1.56 -0.11 2.28 2.08 -0.31 -4.04 119.36 118.23 1i4y n ILE 105 Ca -0.11 -0.15 -0.11 0.00 0.56 0.00 0.00 62.75 62.94 1i4y n ILE 105 Cb 0.64 -1.98 -0.03 0.00 -0.75 0.00 0.00 39.64 37.53 1i4y n ILE 105 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1i4y h ASP 106 N -0.86 0.52 -0.07 4.38 3.32 -0.31 -2.92 116.42 120.49 1i4y h ASP 106 Ca -0.41 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 56.38 1i4y h ASP 106 Cb 1.44 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 1i4y h ASP 106 CO -0.20 0.67 0.23 -0.26 -1.72 0.00 0.00 179.24 177.96 1i4y h PHE 107 N 0.36 0.00 0.00 4.55 0.05 -1.37 -0.95 116.94 119.57 1i4y h PHE 107 Ca 0.09 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.84 1i4y h PHE 107 Cb 0.38 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.33 1i4y h PHE 107 CO 0.03 0.00 -0.21 0.87 -0.18 0.00 0.00 178.31 178.82 1i4y h LYS 108 N 0.00 0.00 -0.11 1.51 1.79 -1.65 -2.50 116.57 115.61 1i4y h LYS 108 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1i4y h LYS 108 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1i4y h LYS 108 CO -0.00 0.21 0.00 2.48 -1.08 0.00 0.00 179.45 181.06 1i4y n TYR 109 N -3.71 0.14 -1.68 -1.35 0.18 -0.36 -4.88 117.16 105.49 1i4y n TYR 109 Ca -0.01 -0.07 -0.48 0.00 1.88 0.00 0.00 57.90 59.22 1i4y n TYR 109 Cb 0.32 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.24 1i4y n TYR 109 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1i4y n LYS 110 N 0.13 2.16 -0.95 -3.48 5.02 -0.94 -0.97 118.16 119.12 1i4y n LYS 110 Ca 0.17 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 1i4y n LYS 110 Cb 0.30 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 1i4y n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i4y n GLY 111 N 4.11 0.63 0.10 0.72 0.00 -1.26 -4.84 105.19 104.64 1i4y n GLY 111 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1i4y n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i4y n LYS 112 N -2.13 3.16 0.00 1.61 5.02 -0.15 -5.26 118.16 120.41 1i4y n LYS 112 Ca 0.00 -0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 1i4y n LYS 112 Cb 0.04 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1i4y n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32