#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 2.90 0.37 1.61 0.08 -1.26 -5.00 117.98 116.68 1i4y s PHE 2 Ca 0.00 1.57 -0.27 0.00 0.12 0.00 0.00 56.93 58.35 1i4y s PHE 2 Cb 0.00 -3.17 -0.09 0.00 -0.57 0.00 0.00 43.02 39.19 1i4y s PHE 2 CO 0.00 -1.11 1.21 -1.25 -0.10 0.00 0.00 175.22 173.97 1i4y s PRO 3 N -3.15 4.17 -0.34 0.24 0.04 -1.26 -4.99 135.00 129.71 1i4y s PRO 3 Ca 0.68 1.97 -0.22 0.00 0.04 0.00 0.00 61.00 63.47 1i4y s PRO 3 Cb -0.20 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1i4y s PRO 3 CO 0.24 -0.26 0.71 0.42 0.04 0.00 0.00 177.00 178.15 1i4y s ILE 4 N -1.30 4.83 0.28 0.56 -1.09 -1.26 -5.02 121.20 118.21 1i4y s ILE 4 Ca 0.54 0.84 -0.29 0.00 -2.23 0.00 0.00 60.65 59.50 1i4y s ILE 4 Cb -0.34 -4.12 -0.13 0.00 -1.58 0.00 0.00 42.46 36.29 1i4y s ILE 4 CO 0.44 -0.31 1.22 -2.65 -1.23 0.00 0.00 174.94 172.41 1i4y n PRO 5 N 6.16 1.77 -3.51 2.79 -0.02 -1.26 -4.98 135.00 135.95 1i4y n PRO 5 Ca 0.01 0.62 -0.20 0.00 -2.02 0.00 0.00 63.50 61.91 1i4y n PRO 5 Cb 0.48 -2.15 -0.13 0.00 -0.02 0.00 0.00 33.50 31.68 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 -0.21 1.75 0.60 2.55 2.15 -1.26 -2.74 116.67 119.50 1i4y s ASP 6 Ca 0.61 -0.43 -0.20 0.00 0.43 0.00 0.00 52.55 52.96 1i4y s ASP 6 Cb -0.66 0.23 -0.03 0.00 -0.30 0.00 0.00 42.92 42.17 1i4y s ASP 6 CO 0.57 -0.35 1.31 -2.16 -0.17 0.00 0.00 175.17 174.37 1i4y s PRO 7 N 2.28 2.85 -0.94 4.34 0.04 -1.26 -5.04 135.00 137.27 1i4y s PRO 7 Ca 0.07 2.10 -0.24 0.00 0.04 0.00 0.00 61.00 62.96 1i4y s PRO 7 Cb -0.16 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1i4y s PRO 7 CO -0.16 -1.37 1.93 -0.47 0.04 0.00 0.00 177.00 176.97 1i4y s TYR 8 N -1.38 1.85 0.04 0.56 6.14 -1.11 -4.89 117.35 118.56 1i4y s TYR 8 Ca 0.77 0.55 -0.00 0.00 0.64 0.00 0.00 57.07 59.03 1i4y s TYR 8 Cb -0.38 -4.06 -0.03 0.00 0.42 0.00 0.00 41.96 37.91 1i4y s TYR 8 CO 0.42 -1.68 -0.03 0.08 0.64 0.00 0.00 175.55 174.98 1i4y s VAL 9 N 10.01 0.18 0.66 3.14 1.01 -1.26 -4.48 120.40 129.66 1i4y s VAL 9 Ca 0.69 -1.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 1i4y s VAL 9 Cb -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1i4y s VAL 9 CO 0.01 -0.76 1.16 0.86 0.00 0.00 0.00 175.10 176.36 1i4y s TRP 10 N -2.77 2.40 0.09 5.22 -0.00 -1.26 -4.86 118.94 117.75 1i4y s TRP 10 Ca -0.04 1.56 -0.12 0.00 -0.00 0.00 0.00 56.10 57.51 1i4y s TRP 10 Cb -0.00 -3.33 0.01 0.00 -0.00 0.00 0.00 33.47 30.15 1i4y s TRP 10 CO -0.06 -2.06 0.28 0.16 -0.00 0.00 0.00 176.95 175.27 1i4y s ASP 11 N -2.17 -0.04 0.63 5.86 1.47 -1.26 -5.06 116.67 116.09 1i4y s ASP 11 Ca 0.71 -0.44 0.24 0.00 1.18 0.00 0.00 52.55 54.25 1i4y s ASP 11 Cb -0.25 0.38 1.18 0.00 -0.34 0.00 0.00 42.92 43.89 1i4y s ASP 11 CO 0.40 -0.74 1.65 -0.65 0.68 0.00 0.00 175.17 176.51 1i4y h PRO 12 N 2.76 0.00 0.00 2.11 0.11 -2.01 -1.72 132.00 133.25 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 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 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 -3.18 0.13 -0.81 -2.05 3.41 -1.26 -1.93 113.62 107.93 1i4y n SER 13 Ca 0.07 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 1i4y n SER 13 Cb 0.80 -0.56 0.29 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.64 0.20 -1.75 7.33 3.01 -0.65 -4.98 117.46 118.98 1i4y n PHE 14 Ca 0.03 -0.10 -0.42 0.00 1.01 0.00 0.00 57.45 57.97 1i4y n PHE 14 Cb 0.19 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.80 4.15 -0.00 -1.08 3.52 -0.81 -4.89 118.95 118.03 1i4y s ARG 15 Ca 0.34 2.55 0.22 0.00 -0.13 0.00 0.00 55.73 58.70 1i4y s ARG 15 Cb 0.20 -3.61 -0.22 0.00 -1.56 0.00 0.00 34.95 29.76 1i4y s ARG 15 CO 0.30 -0.83 0.77 0.25 -0.81 0.00 0.00 175.30 174.98 1i4y n THR 16 N 4.76 0.03 -0.94 4.11 -2.24 -1.26 -4.99 114.28 113.76 1i4y n THR 16 Ca 0.17 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1i4y n THR 16 Cb 0.39 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.88 0.00 -3.88 4.78 3.72 -1.26 -4.82 117.46 114.13 1i4y n PHE 17 Ca 0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.06 1i4y n PHE 17 Cb 0.44 -0.26 -0.13 0.00 -0.94 0.00 0.00 39.48 38.59 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 -2.00 3.42 0.19 1.38 2.02 -1.26 -5.01 117.35 116.08 1i4y s TYR 18 Ca 0.00 -2.15 -0.16 0.00 -0.37 0.00 0.00 57.07 54.38 1i4y s TYR 18 Cb 0.00 -2.54 0.17 0.00 -0.40 0.00 0.00 41.96 39.18 1i4y s TYR 18 CO 0.00 -0.87 1.63 0.77 -1.57 0.00 0.00 175.55 175.51 1i4y h SER 19 N 7.98 -0.67 -0.76 2.29 0.02 -1.99 0.22 113.55 120.64 1i4y h SER 19 Ca -0.17 0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1i4y h SER 19 Cb 1.05 0.39 -0.03 0.00 0.14 0.00 0.00 62.40 63.95 1i4y h SER 19 CO 0.58 -0.22 0.27 0.40 -1.14 0.00 0.00 176.83 176.73 1i4y h ILE 20 N -0.06 1.26 -0.16 3.27 1.08 -2.00 -1.70 117.51 119.20 1i4y h ILE 20 Ca 0.25 -0.86 -0.01 0.00 -0.39 0.00 0.00 64.86 63.85 1i4y h ILE 20 Cb 0.45 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 1i4y h ILE 20 CO -0.58 0.34 0.06 0.40 -0.69 0.00 0.00 178.15 177.68 1i4y h ILE 21 N 1.11 1.16 -0.99 -0.67 1.08 -1.81 -1.84 117.51 115.55 1i4y h ILE 21 Ca 0.25 -0.49 0.02 0.00 -0.39 0.00 0.00 64.86 64.25 1i4y h ILE 21 Cb 0.26 1.20 -0.05 0.00 -3.07 0.00 0.00 36.82 35.15 1i4y h ILE 21 CO -0.01 0.15 0.65 0.44 -0.69 0.00 0.00 178.15 178.69 1i4y h ASP 22 N 0.09 1.12 -0.47 1.72 3.32 -0.75 0.47 116.42 121.93 1i4y h ASP 22 Ca 0.05 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1i4y h ASP 22 Cb 0.18 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1i4y h ASP 22 CO -0.00 0.81 -0.07 0.44 -1.72 0.00 0.00 179.24 178.69 1i4y h ASP 23 N 1.32 0.91 -0.36 6.45 3.45 -1.22 -1.75 116.42 125.23 1i4y h ASP 23 Ca 0.37 -0.27 -0.16 0.00 0.43 0.00 0.00 57.03 57.40 1i4y h ASP 23 Cb -0.12 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.39 1i4y h ASP 23 CO -0.09 1.01 -0.39 -0.33 -1.57 0.00 0.00 179.24 177.88 1i4y h GLU 24 N 0.84 0.92 -0.84 3.56 5.08 -0.65 -2.84 114.58 120.66 1i4y h GLU 24 Ca 0.14 -0.48 0.07 0.00 -1.00 0.00 0.00 59.36 58.09 1i4y h GLU 24 Cb 0.59 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1i4y h GLU 24 CO 0.04 1.14 0.55 0.45 -1.00 0.00 0.00 179.01 180.18 1i4y h HIS 25 N 0.75 0.93 -0.86 4.33 3.86 -0.49 -1.03 115.15 122.63 1i4y h HIS 25 Ca 0.06 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 1i4y h HIS 25 Cb 0.98 -0.30 -0.05 0.00 1.06 0.00 0.00 27.41 29.09 1i4y h HIS 25 CO 0.06 0.48 0.56 0.87 0.86 0.00 0.00 177.93 180.76 1i4y h LYS 26 N 0.90 1.01 -0.33 2.45 1.57 -1.08 -1.63 116.57 119.46 1i4y h LYS 26 Ca 0.36 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 59.00 1i4y h LYS 26 Cb 0.25 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1i4y h LYS 26 CO -0.13 0.67 -0.14 1.79 -0.57 0.00 0.00 179.45 181.07 1i4y h THR 27 N 1.05 1.25 -0.49 -0.16 1.35 -1.11 -2.46 112.91 112.33 1i4y h THR 27 Ca 0.35 -1.11 -0.09 0.00 -0.55 0.00 0.00 66.41 65.01 1i4y h THR 27 Cb 0.06 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 1i4y h THR 27 CO -0.11 0.37 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.43 1i4y h LEU 28 N 0.53 0.88 -0.28 3.87 3.38 -1.05 -0.38 115.31 122.26 1i4y h LEU 28 Ca 0.09 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1i4y h LEU 28 Cb 0.55 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1i4y h LEU 28 CO 0.04 0.99 0.15 -0.26 0.09 0.00 0.00 178.44 179.45 1i4y h PHE 29 N 0.75 0.39 -0.83 1.13 -1.00 -1.32 -1.64 116.94 114.42 1i4y h PHE 29 Ca 0.14 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.89 1i4y h PHE 29 Cb 0.56 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.96 1i4y h PHE 29 CO 0.04 0.33 0.46 -0.97 -1.61 0.00 0.00 178.31 176.56 1i4y h ASN 30 N 0.34 1.03 -0.47 2.17 -1.24 -1.31 -0.07 115.58 116.04 1i4y h ASN 30 Ca 0.10 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1i4y h ASN 30 Cb 0.07 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.83 1i4y h ASN 30 CO -0.02 0.82 0.31 1.23 -1.29 0.00 0.00 177.43 178.48 1i4y h GLY 31 N 1.15 0.66 1.40 1.57 0.00 -0.75 -2.47 103.07 104.62 1i4y h GLY 31 Ca 0.29 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 1i4y h GLY 31 CO -0.05 0.24 -0.23 -2.22 0.00 0.00 0.00 176.54 174.29 1i4y h ILE 32 N 0.63 1.27 -0.49 2.60 2.04 -0.91 -2.81 117.51 119.85 1i4y h ILE 32 Ca 0.17 -1.32 0.10 0.00 1.00 0.00 0.00 64.86 64.81 1i4y h ILE 32 Cb -0.07 1.25 -0.09 0.00 -0.74 0.00 0.00 36.82 37.17 1i4y h ILE 32 CO -0.04 0.43 -0.12 0.15 0.00 0.00 0.00 178.15 178.58 1i4y h PHE 33 N 0.61 -0.25 -0.02 1.37 3.57 -0.56 -1.66 116.94 120.00 1i4y h PHE 33 Ca 0.09 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.46 1i4y h PHE 33 Cb 0.71 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1i4y h PHE 33 CO 0.03 -0.21 -0.76 0.45 -2.23 0.00 0.00 178.31 175.59 1i4y h HIS 34 N 0.01 0.25 -0.84 0.41 3.86 -1.47 -3.10 115.15 114.27 1i4y h HIS 34 Ca 0.24 -0.12 0.07 0.00 -1.16 0.00 0.00 60.37 59.40 1i4y h HIS 34 Cb 0.36 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.73 1i4y h HIS 34 CO -0.41 0.87 0.51 -0.07 0.86 0.00 0.00 177.93 179.69 1i4y h LEU 35 N 0.11 0.79 -1.50 2.43 3.38 -1.08 0.15 115.31 119.58 1i4y h LEU 35 Ca -0.03 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1i4y h LEU 35 Cb 1.34 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1i4y h LEU 35 CO 0.11 0.49 0.03 0.00 0.09 0.00 0.00 178.44 179.16 1i4y h ALA 36 N 1.42 1.60 0.05 1.53 0.00 -1.25 -2.41 119.26 120.19 1i4y h ALA 36 Ca 0.38 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1i4y h ALA 36 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1i4y h ALA 36 CO -0.19 0.30 -0.61 0.82 0.00 0.00 0.00 179.25 179.56 1i4y h ILE 37 N 0.35 1.47 -3.06 0.00 2.04 -1.26 -3.43 117.51 113.60 1i4y h ILE 37 Ca 0.08 -2.37 -0.55 0.00 1.00 0.00 0.00 64.86 63.02 1i4y h ILE 37 Cb 0.19 3.05 -0.40 0.00 -0.74 0.00 0.00 36.82 38.92 1i4y h ILE 37 CO 0.00 0.60 -0.76 -0.62 0.00 0.00 0.00 178.15 177.36 1i4y s ASP 38 N -6.62 3.66 -1.34 1.72 -1.08 0.40 -5.05 116.67 108.36 1i4y s ASP 38 Ca -0.20 -1.38 -0.16 0.00 -0.52 0.00 0.00 52.55 50.30 1i4y s ASP 38 Cb 0.00 -0.65 0.07 0.00 -1.46 0.00 0.00 42.92 40.88 1i4y s ASP 38 CO 0.72 -0.40 1.88 -0.67 0.52 0.00 0.00 175.17 177.21 1i4y n ASP 39 N 5.01 4.63 -4.54 -0.34 4.64 -0.92 -4.27 116.55 120.77 1i4y n ASP 39 Ca -0.04 -2.91 -0.28 0.00 -1.38 0.00 0.00 54.79 50.18 1i4y n ASP 39 Cb 0.43 -1.70 -0.09 0.00 -1.04 0.00 0.00 41.12 38.72 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 3.66 3.43 0.21 1.67 6.03 -1.26 -5.04 114.94 123.65 1i4y s ASN 40 Ca 0.50 -1.51 -0.09 0.00 -1.03 0.00 0.00 52.86 50.73 1i4y s ASN 40 Cb 0.07 0.10 0.22 0.00 -3.03 0.00 0.00 41.25 38.61 1i4y s ASN 40 CO 0.02 -0.69 1.84 0.00 -2.03 0.00 0.00 177.10 176.24 1i4y h ALA 41 N 1.72 0.95 -0.52 3.54 0.00 -1.99 -1.31 119.26 121.66 1i4y h ALA 41 Ca -0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1i4y h ALA 41 Cb 1.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1i4y h ALA 41 CO 0.72 0.20 0.24 -0.44 0.00 0.00 0.00 179.25 179.97 1i4y h ASP 42 N 0.85 0.69 0.27 0.00 5.19 -1.97 0.19 116.42 121.64 1i4y h ASP 42 Ca 0.30 -0.14 -0.16 0.00 -0.62 0.00 0.00 57.03 56.41 1i4y h ASP 42 Cb 0.07 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1i4y h ASP 42 CO -0.13 0.63 -0.63 0.78 -3.12 0.00 0.00 179.24 176.78 1i4y h ASN 43 N 0.69 0.39 -0.33 6.45 2.35 -1.81 -2.21 115.58 121.10 1i4y h ASN 43 Ca 0.18 -0.23 -0.15 0.00 -0.55 0.00 0.00 56.30 55.55 1i4y h ASN 43 Cb 0.14 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 1i4y h ASN 43 CO -0.02 0.92 -0.38 0.25 -1.65 0.00 0.00 177.43 176.55 1i4y h LEU 44 N 0.25 0.91 -1.02 1.61 5.85 -1.05 -2.78 115.31 119.08 1i4y h LEU 44 Ca -0.01 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.26 1i4y h LEU 44 Cb 1.15 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1i4y h LEU 44 CO 0.10 1.21 0.66 1.23 -0.34 0.00 0.00 178.44 181.30 1i4y h GLY 45 N 0.63 1.43 0.84 3.75 0.00 -0.48 0.43 103.07 109.68 1i4y h GLY 45 Ca 0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1i4y h GLY 45 CO 0.09 0.46 0.03 -2.09 0.00 0.00 0.00 176.54 175.04 1i4y h GLU 46 N 1.30 0.15 -0.44 4.80 4.57 -1.32 -0.30 114.58 123.34 1i4y h GLU 46 Ca 0.38 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.51 1i4y h GLU 46 Cb -0.07 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 1i4y h GLU 46 CO -0.10 0.30 0.17 1.25 -1.18 0.00 0.00 179.01 179.44 1i4y h LEU 47 N -0.03 0.60 -0.68 1.64 5.85 -1.19 -1.60 115.31 119.91 1i4y h LEU 47 Ca 0.03 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1i4y h LEU 47 Cb 0.21 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1i4y h LEU 47 CO -0.00 0.61 0.40 -0.09 -0.34 0.00 0.00 178.44 179.02 1i4y h ARG 48 N 0.56 0.74 0.23 1.25 9.65 0.03 0.42 114.38 127.26 1i4y h ARG 48 Ca 0.15 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 1i4y h ARG 48 Cb 0.20 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1i4y h ARG 48 CO -0.01 0.49 -0.11 -0.09 2.80 0.00 0.00 179.97 183.05 1i4y h ARG 49 N 0.76 -0.29 -0.35 0.20 2.43 -0.91 0.48 114.38 116.70 1i4y h ARG 49 Ca 0.29 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1i4y h ARG 49 Cb 0.10 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1i4y h ARG 49 CO -0.14 -0.01 0.17 0.00 -1.51 0.00 0.00 179.97 178.48 1i4y h THR 51 N 0.49 1.42 -0.65 0.00 2.02 -0.08 -1.16 112.91 114.95 1i4y h THR 51 Ca 0.13 -1.71 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 1i4y h THR 51 Cb 0.04 2.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 1i4y h THR 51 CO -0.02 0.49 0.34 1.23 0.37 0.00 0.00 175.52 177.94 1i4y h GLY 52 N -0.15 0.98 0.73 2.16 0.00 -0.65 -1.27 103.07 104.88 1i4y h GLY 52 Ca -0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1i4y h GLY 52 CO 0.07 0.44 -0.01 1.70 0.00 0.00 0.00 176.54 178.74 1i4y h LYS 53 N 0.89 0.17 0.24 4.80 3.64 -1.07 -2.49 116.57 122.74 1i4y h LYS 53 Ca 0.23 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1i4y h LYS 53 Cb 0.07 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1i4y h LYS 53 CO -0.03 0.45 -0.18 1.25 -2.27 0.00 0.00 179.45 178.67 1i4y h HIS 54 N -0.14 -0.47 -0.53 1.91 2.76 -1.10 -0.83 115.15 116.75 1i4y h HIS 54 Ca 0.02 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.27 1i4y h HIS 54 Cb 0.38 0.18 -0.06 0.00 1.55 0.00 0.00 27.41 29.46 1i4y h HIS 54 CO 0.04 -0.28 0.18 0.74 -1.30 0.00 0.00 177.93 177.32 1i4y h PHE 55 N -0.43 0.32 -0.08 5.26 0.04 -1.28 0.15 116.94 120.92 1i4y h PHE 55 Ca -0.01 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1i4y h PHE 55 Cb 0.38 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.46 1i4y h PHE 55 CO -0.12 0.09 0.05 1.25 -0.60 0.00 0.00 178.31 178.98 1i4y h LEU 56 N 0.36 0.09 -0.80 1.54 5.85 -1.30 0.92 115.31 121.96 1i4y h LEU 56 Ca 0.26 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1i4y h LEU 56 Cb 0.29 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1i4y h LEU 56 CO -0.27 0.10 0.50 0.78 -0.34 0.00 0.00 178.44 179.21 1i4y h ASN 57 N 0.07 0.95 -0.52 1.25 -0.26 -0.71 0.02 115.58 116.38 1i4y h ASN 57 Ca 0.03 -0.05 -0.11 0.00 -0.56 0.00 0.00 56.30 55.61 1i4y h ASN 57 Cb 0.03 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.03 1i4y h ASN 57 CO -0.01 0.72 -0.10 -0.08 -1.06 0.00 0.00 177.43 176.91 1i4y h GLU 58 N 1.09 0.99 -0.46 0.81 4.81 -0.54 -1.90 114.58 119.38 1i4y h GLU 58 Ca 0.29 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1i4y h GLU 58 Cb -0.07 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1i4y h GLU 58 CO -0.06 1.04 0.29 1.96 -0.73 0.00 0.00 179.01 181.51 1i4y h GLN 59 N 0.86 0.61 -0.99 1.92 4.20 -0.31 -0.02 115.11 121.38 1i4y h GLN 59 Ca 0.14 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.82 1i4y h GLN 59 Cb 0.66 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 1i4y h GLN 59 CO 0.05 0.43 0.65 0.28 -0.67 0.00 0.00 178.83 179.57 1i4y h VAL 60 N 0.61 1.22 -0.41 -0.54 2.07 -0.83 0.17 116.25 118.54 1i4y h VAL 60 Ca 0.17 -0.45 -0.14 0.00 0.82 0.00 0.00 66.70 67.10 1i4y h VAL 60 Cb -0.03 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.53 1i4y h VAL 60 CO -0.03 0.24 -0.29 0.25 0.02 0.00 0.00 177.57 177.75 1i4y h LEU 61 N 1.30 0.93 -0.58 2.57 5.85 -0.87 -0.93 115.31 123.57 1i4y h LEU 61 Ca 0.37 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1i4y h LEU 61 Cb -0.09 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 1i4y h LEU 61 CO -0.10 1.15 0.12 0.24 -0.34 0.00 0.00 178.44 179.51 1i4y h MET 62 N 0.75 0.94 -0.23 1.25 2.86 -0.31 -2.78 114.93 117.43 1i4y h MET 62 Ca 0.08 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.43 1i4y h MET 62 Cb 0.86 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1i4y h MET 62 CO 0.08 0.88 -0.10 1.96 1.06 0.00 0.00 176.91 180.79 1i4y h GLN 63 N 0.84 0.36 -0.23 1.72 4.20 -0.44 0.97 115.11 122.54 1i4y h GLN 63 Ca 0.18 -0.09 0.07 0.00 0.06 0.00 0.00 58.65 58.87 1i4y h GLN 63 Cb 0.38 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1i4y h GLN 63 CO 0.01 0.47 0.20 0.00 -0.67 0.00 0.00 178.83 178.84 1i4y h ALA 64 N 1.56 2.01 -0.08 3.87 0.00 -0.87 0.69 119.26 126.43 1i4y h ALA 64 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1i4y h ALA 64 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1i4y h ALA 64 CO 0.02 -0.32 0.00 0.43 0.00 0.00 0.00 179.25 179.38 1i4y n SER 65 N -4.09 2.57 -3.89 0.00 7.64 -1.07 -4.99 113.62 109.79 1i4y n SER 65 Ca 0.03 -2.64 -0.29 0.00 1.01 0.00 0.00 58.87 56.97 1i4y n SER 65 Cb 0.34 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.79 -2.36 -1.65 1.43 6.02 0.23 -4.79 117.38 115.48 1i4y n GLN 66 Ca 0.12 0.39 -0.52 0.00 -0.01 0.00 0.00 57.00 56.97 1i4y n GLN 66 Cb 0.55 -4.22 -0.06 0.00 1.02 0.00 0.00 30.24 27.53 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 -4.39 1.88 -0.31 1.08 -0.00 0.29 -4.86 117.16 110.85 1i4y n TYR 67 Ca -0.23 0.48 0.02 0.00 -0.00 0.00 0.00 57.90 58.17 1i4y n TYR 67 Cb 0.65 -2.44 0.16 0.00 -0.00 0.00 0.00 39.34 37.71 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 6.11 0.91 -0.75 2.98 4.15 -1.90 -2.30 115.11 124.30 1i4y h GLN 68 Ca -0.47 -0.05 -0.40 0.00 0.77 0.00 0.00 58.65 58.49 1i4y h GLN 68 Cb 1.31 -0.20 -0.24 0.00 0.21 0.00 0.00 27.48 28.56 1i4y h GLN 68 CO 0.87 0.60 0.36 1.19 -1.93 0.00 0.00 178.83 179.92 1i4y n PHE 69 N -4.65 2.33 -0.06 3.99 3.01 -1.26 -4.73 117.46 116.09 1i4y n PHE 69 Ca 0.13 -1.83 -0.07 0.00 1.01 0.00 0.00 57.45 56.69 1i4y n PHE 69 Cb 0.22 -0.79 -0.01 0.00 -0.01 0.00 0.00 39.48 38.88 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 1.07 -0.02 -0.38 1.38 5.03 -1.79 -2.54 116.97 119.73 1i4y h TYR 70 Ca 0.48 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.86 1i4y h TYR 70 Cb 2.29 0.05 -0.05 0.00 1.55 0.00 0.00 36.73 40.58 1i4y h TYR 70 CO 1.37 -0.05 0.10 -0.44 -1.32 0.00 0.00 178.16 177.83 1i4y h ASP 71 N 0.07 0.07 -0.44 -2.11 3.32 -1.85 0.13 116.42 115.61 1i4y h ASP 71 Ca 0.12 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1i4y h ASP 71 Cb 0.16 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1i4y h ASP 71 CO -0.21 0.07 0.10 1.05 -1.72 0.00 0.00 179.24 178.53 1i4y h GLU 72 N 0.24 0.78 -0.17 3.56 -0.00 -1.92 -2.27 114.58 114.81 1i4y h GLU 72 Ca 0.18 -0.16 -0.02 0.00 -0.00 0.00 0.00 59.36 59.35 1i4y h GLU 72 Cb 0.19 -0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 28.81 1i4y h GLU 72 CO -0.21 0.72 0.01 1.25 -0.00 0.00 0.00 179.01 180.77 1i4y h HIS 73 N 0.75 0.31 -0.57 2.06 2.76 -0.92 -2.77 115.15 116.77 1i4y h HIS 73 Ca 0.16 -0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1i4y h HIS 73 Cb 0.31 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 1i4y h HIS 73 CO 0.02 0.49 0.38 -0.22 -1.30 0.00 0.00 177.93 177.29 1i4y h LYS 74 N 0.04 0.67 -0.31 5.26 3.64 -0.59 -1.38 116.57 123.91 1i4y h LYS 74 Ca 0.05 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1i4y h LYS 74 Cb 0.36 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1i4y h LYS 74 CO 0.01 0.45 -0.15 0.87 -2.27 0.00 0.00 179.45 178.35 1i4y h LYS 75 N 0.70 0.54 -0.28 1.90 1.57 -1.23 -1.60 116.57 118.16 1i4y h LYS 75 Ca 0.22 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1i4y h LYS 75 Cb 0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1i4y h LYS 75 CO -0.06 0.68 0.02 0.93 -0.57 0.00 0.00 179.45 180.45 1i4y h GLU 76 N 0.49 0.48 -0.31 3.15 4.39 -1.00 -2.47 114.58 119.31 1i4y h GLU 76 Ca 0.09 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.68 1i4y h GLU 76 Cb 0.55 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1i4y h GLU 76 CO 0.04 0.62 0.12 0.45 -1.16 0.00 0.00 179.01 179.07 1i4y h HIS 77 N 0.29 0.21 -0.31 4.33 3.86 -1.00 -2.24 115.15 120.28 1i4y h HIS 77 Ca 0.08 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1i4y h HIS 77 Cb 0.38 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 1i4y h HIS 77 CO 0.03 0.10 0.18 0.93 0.86 0.00 0.00 177.93 180.03 1i4y h GLU 78 N 0.26 0.42 -0.20 2.45 5.08 -1.24 -1.41 114.58 119.94 1i4y h GLU 78 Ca 0.14 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1i4y h GLU 78 Cb 0.10 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1i4y h GLU 78 CO -0.13 0.31 0.06 1.15 -1.00 0.00 0.00 179.01 179.39 1i4y h THR 79 N 0.43 1.19 -0.31 1.13 2.02 -0.93 -0.95 112.91 115.49 1i4y h THR 79 Ca 0.11 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 1i4y h THR 79 Cb 0.00 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1i4y h THR 79 CO -0.02 0.19 0.06 0.15 0.37 0.00 0.00 175.52 176.27 1i4y h PHE 80 N 0.14 0.54 -0.88 3.16 3.57 -1.09 -2.06 116.94 120.32 1i4y h PHE 80 Ca 0.06 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1i4y h PHE 80 Cb 0.24 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 1i4y h PHE 80 CO 0.00 0.58 0.56 0.82 -2.23 0.00 0.00 178.31 178.04 1i4y h ILE 81 N 0.34 1.07 -0.91 1.41 1.08 -1.24 -0.92 117.51 118.34 1i4y h ILE 81 Ca 0.10 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1i4y h ILE 81 Cb 0.33 -0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 33.99 1i4y h ILE 81 CO 0.00 0.19 0.56 -0.74 -0.69 0.00 0.00 178.15 177.48 1i4y h HIS 82 N 1.03 1.18 -0.41 1.37 2.76 -0.91 0.17 115.15 120.33 1i4y h HIS 82 Ca 0.38 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.50 1i4y h HIS 82 Cb 0.14 -0.39 -0.02 0.00 1.55 0.00 0.00 27.41 28.69 1i4y h HIS 82 CO -0.03 0.77 0.05 0.00 -1.30 0.00 0.00 177.93 177.42 1i4y h ALA 83 N 1.31 0.54 -0.70 5.26 0.00 -0.61 -0.84 119.26 124.22 1i4y h ALA 83 Ca 0.33 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1i4y h ALA 83 Cb -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1i4y h ALA 83 CO -0.06 0.28 0.29 -0.07 0.00 0.00 0.00 179.25 179.68 1i4y h LEU 84 N 0.53 0.94 -0.00 0.00 4.07 -0.51 -0.87 115.31 119.48 1i4y h LEU 84 Ca 0.12 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1i4y h LEU 84 Cb 0.41 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.90 1i4y h LEU 84 CO 0.01 0.84 0.00 0.47 -1.08 0.00 0.00 178.44 178.68 1i4y n ASP 85 N -4.30 0.07 -2.67 -0.43 10.43 0.52 -3.23 116.55 116.94 1i4y n ASP 85 Ca 0.06 0.51 -0.15 0.00 2.57 0.00 0.00 54.79 57.78 1i4y n ASP 85 Cb 0.17 -0.52 0.01 0.00 1.84 0.00 0.00 41.12 42.62 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 -1.56 2.38 -4.72 -2.24 3.02 -0.35 -5.06 115.26 106.72 1i4y n ASN 86 Ca 0.07 -3.04 -0.42 0.00 -0.03 0.00 0.00 54.58 51.15 1i4y n ASN 86 Cb 0.34 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 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 -3.19 2.92 -0.05 3.10 -0.11 -0.37 -4.83 118.94 116.42 1i4y s TRP 87 Ca 0.35 0.39 0.07 0.00 1.22 0.00 0.00 56.10 58.12 1i4y s TRP 87 Cb 0.43 -4.11 0.10 0.00 -1.50 0.00 0.00 33.47 28.39 1i4y s TRP 87 CO -0.04 -4.19 1.05 0.36 -4.62 0.00 0.00 176.95 169.52 1i4y n LYS 88 N 3.94 2.37 -1.05 5.86 -0.00 -1.26 -5.01 118.16 123.00 1i4y n LYS 88 Ca 0.15 -1.87 -0.02 0.00 -0.00 0.00 0.00 58.31 56.58 1i4y n LYS 88 Cb 0.36 -1.17 -0.01 0.00 -0.00 0.00 0.00 35.03 34.21 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 -0.83 0.52 3.51 2.58 0.00 -1.26 -4.97 105.19 104.74 1i4y n GLY 89 Ca 0.06 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1i4y n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i4y s ASP 90 N -2.38 6.86 0.23 1.61 3.68 -1.26 -4.78 116.67 120.62 1i4y s ASP 90 Ca 0.00 -2.48 -0.03 0.00 2.13 0.00 0.00 52.55 52.18 1i4y s ASP 90 Cb 0.00 -2.48 0.23 0.00 -1.45 0.00 0.00 42.92 39.22 1i4y s ASP 90 CO 0.00 -1.02 1.64 1.62 0.13 0.00 0.00 175.17 177.53 1i4y h VAL 91 N 5.40 1.27 -0.62 1.11 3.04 -1.96 -2.83 116.25 121.67 1i4y h VAL 91 Ca 0.32 -1.37 0.03 0.00 -1.01 0.00 0.00 66.70 64.66 1i4y h VAL 91 Cb 0.91 1.30 -0.04 0.00 -2.01 0.00 0.00 31.29 31.46 1i4y h VAL 91 CO 1.31 0.45 0.38 0.50 -1.01 0.00 0.00 177.57 179.20 1i4y h LYS 92 N 0.59 0.73 -0.35 4.17 3.64 -2.00 -0.07 116.57 123.29 1i4y h LYS 92 Ca 0.08 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1i4y h LYS 92 Cb 0.76 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1i4y h LYS 92 CO 0.06 0.48 0.17 2.35 -2.27 0.00 0.00 179.45 180.25 1i4y h TRP 93 N 0.75 0.50 -0.57 1.91 7.01 -1.94 -2.52 115.95 121.09 1i4y h TRP 93 Ca 0.25 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.24 1i4y h TRP 93 Cb 0.01 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 1i4y h TRP 93 CO -0.05 0.43 0.37 0.00 -2.79 0.00 0.00 178.44 176.40 1i4y h ALA 94 N 1.03 0.73 -0.50 2.65 0.00 -1.19 0.31 119.26 122.29 1i4y h ALA 94 Ca 0.12 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1i4y h ALA 94 Cb 0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1i4y h ALA 94 CO -0.02 0.13 0.25 0.87 0.00 0.00 0.00 179.25 180.49 1i4y h LYS 95 N 0.75 0.48 -0.15 0.00 1.57 -0.92 -1.52 116.57 116.77 1i4y h LYS 95 Ca 0.22 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.80 1i4y h LYS 95 Cb -0.05 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1i4y h LYS 95 CO -0.06 0.31 -0.62 1.03 -0.57 0.00 0.00 179.45 179.54 1i4y h SER 96 N 0.49 0.61 0.01 0.86 0.87 -1.07 -2.81 113.55 112.50 1i4y h SER 96 Ca 0.22 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1i4y h SER 96 Cb 0.13 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1i4y h SER 96 CO -0.15 1.08 -0.00 -0.25 -0.53 0.00 0.00 176.83 176.97 1i4y h TRP 97 N 0.39 -0.01 -0.14 2.24 7.01 0.14 -1.75 115.95 123.83 1i4y h TRP 97 Ca -0.01 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 1i4y h TRP 97 Cb 1.18 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.23 1i4y h TRP 97 CO 0.05 0.02 0.07 1.25 -2.79 0.00 0.00 178.44 177.04 1i4y h LEU 98 N -0.03 0.18 -0.11 0.65 5.85 -1.35 0.21 115.31 120.72 1i4y h LEU 98 Ca -0.00 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1i4y h LEU 98 Cb 0.03 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1i4y h LEU 98 CO 0.00 0.23 -0.19 0.58 -0.34 0.00 0.00 178.44 178.72 1i4y h VAL 99 N 0.12 0.52 -0.26 1.05 2.07 -1.45 -1.21 116.25 117.09 1i4y h VAL 99 Ca 0.05 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 1i4y h VAL 99 Cb 0.09 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1i4y h VAL 99 CO -0.01 0.00 -0.28 0.78 0.02 0.00 0.00 177.57 178.08 1i4y h ASN 100 N -0.25 0.52 -0.51 0.57 2.35 -1.20 -2.01 115.58 115.05 1i4y h ASN 100 Ca 0.09 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 1i4y h ASN 100 Cb 0.39 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1i4y h ASN 100 CO -0.26 0.78 0.15 -0.74 -1.65 0.00 0.00 177.43 175.71 1i4y h HIS 101 N 0.44 0.84 0.35 1.19 2.76 -0.13 -0.23 115.15 120.37 1i4y h HIS 101 Ca 0.06 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 1i4y h HIS 101 Cb 0.72 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.45 1i4y h HIS 101 CO 0.03 0.73 -0.17 0.82 -1.30 0.00 0.00 177.93 178.04 1i4y h ILE 102 N 0.70 0.54 0.00 6.26 2.04 -1.13 0.13 117.51 126.06 1i4y h ILE 102 Ca 0.16 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 1i4y h ILE 102 Cb 0.30 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1i4y h ILE 102 CO -0.00 0.11 -0.18 0.11 0.00 0.00 0.00 178.15 178.19 1i4y h LYS 103 N -0.89 0.00 0.00 2.37 1.57 -1.38 -0.64 116.57 117.60 1i4y h LYS 103 Ca -0.05 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.49 1i4y h LYS 103 Cb 0.53 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1i4y h LYS 103 CO 0.08 0.18 -1.92 0.25 -0.57 0.00 0.00 179.45 177.46 1i4y n THR 104 N -3.69 0.93 -0.11 -0.16 -2.24 -0.10 -4.44 114.28 104.48 1i4y n THR 104 Ca -0.01 -0.36 -0.22 0.00 -2.27 0.00 0.00 64.05 61.18 1i4y n THR 104 Cb 0.30 -1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 67.36 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 -2.96 1.52 -0.26 2.28 2.08 -0.45 -4.09 119.36 117.49 1i4y n ILE 105 Ca -0.28 -0.08 -0.07 0.00 0.56 0.00 0.00 62.75 62.87 1i4y n ILE 105 Cb 0.81 -2.04 0.05 0.00 -0.75 0.00 0.00 39.64 37.70 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 -1.00 1.03 0.00 4.38 3.32 -0.49 -2.30 116.42 121.36 1i4y h ASP 106 Ca -0.39 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1i4y h ASP 106 Cb 1.30 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1i4y h ASP 106 CO -0.24 0.97 0.06 -0.26 -1.72 0.00 0.00 179.24 178.05 1i4y h PHE 107 N 1.04 0.00 0.00 4.55 0.05 -1.33 -1.50 116.94 119.75 1i4y h PHE 107 Ca 0.23 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.93 1i4y h PHE 107 Cb 0.31 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.25 1i4y h PHE 107 CO 0.02 0.00 -0.40 0.87 -0.18 0.00 0.00 178.31 178.63 1i4y h LYS 108 N 0.00 0.00 -0.00 1.51 1.79 -1.56 -2.91 116.57 115.40 1i4y h LYS 108 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1i4y h LYS 108 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1i4y h LYS 108 CO 0.00 0.40 -0.06 2.48 -1.08 0.00 0.00 179.45 181.18 1i4y n TYR 109 N -4.00 0.00 -1.65 -1.35 0.18 -0.57 -4.88 117.16 104.90 1i4y n TYR 109 Ca -0.02 0.00 -0.53 0.00 1.88 0.00 0.00 57.90 59.23 1i4y n TYR 109 Cb 0.44 -0.15 -0.06 0.00 -0.38 0.00 0.00 39.34 39.18 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 -0.94 1.29 -0.92 -3.48 5.02 -1.10 -0.53 118.16 117.50 1i4y n LYS 110 Ca 0.16 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1i4y n LYS 110 Cb 0.25 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 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 3.30 0.66 0.15 0.72 0.00 -1.26 -4.84 105.19 103.92 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 -2.03 2.56 0.00 1.61 5.02 0.31 -5.26 118.16 120.37 1i4y n LYS 112 Ca 0.00 -0.45 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 1i4y n LYS 112 Cb 0.03 -0.98 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