#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 2.83 0.30 1.61 0.08 -1.26 -4.99 117.98 116.55 1i4y s PHE 2 Ca 0.00 1.54 -0.29 0.00 0.12 0.00 0.00 56.93 58.29 1i4y s PHE 2 Cb 0.00 -3.37 -0.10 0.00 -0.57 0.00 0.00 43.02 38.98 1i4y s PHE 2 CO 0.00 -1.53 1.24 -1.25 -0.10 0.00 0.00 175.22 173.57 1i4y s PRO 3 N -2.80 4.45 -0.34 0.24 0.04 -1.26 -4.99 135.00 130.34 1i4y s PRO 3 Ca 0.65 2.06 -0.23 0.00 0.04 0.00 0.00 61.00 63.52 1i4y s PRO 3 Cb -0.28 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1i4y s PRO 3 CO 0.34 -0.07 0.78 0.42 0.04 0.00 0.00 177.00 178.51 1i4y s ILE 4 N -0.98 4.77 0.28 0.56 -1.09 -1.26 -5.02 121.20 118.46 1i4y s ILE 4 Ca 0.48 0.99 -0.29 0.00 -2.23 0.00 0.00 60.65 59.60 1i4y s ILE 4 Cb -0.37 -4.17 -0.14 0.00 -1.58 0.00 0.00 42.46 36.20 1i4y s ILE 4 CO 0.47 -0.35 1.16 -2.65 -1.23 0.00 0.00 174.94 172.34 1i4y n PRO 5 N 6.31 1.64 -3.45 2.79 -0.02 -1.26 -4.98 135.00 136.02 1i4y n PRO 5 Ca 0.03 0.58 -0.17 0.00 -2.02 0.00 0.00 63.50 61.92 1i4y n PRO 5 Cb 0.48 -2.06 -0.12 0.00 -0.02 0.00 0.00 33.50 31.78 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 -0.30 1.30 0.55 2.55 2.15 -1.26 -2.97 116.67 118.70 1i4y s ASP 6 Ca 0.61 -0.27 -0.21 0.00 0.43 0.00 0.00 52.55 53.10 1i4y s ASP 6 Cb -0.68 0.50 -0.05 0.00 -0.30 0.00 0.00 42.92 42.40 1i4y s ASP 6 CO 0.58 -0.34 1.28 -0.81 -0.17 0.00 0.00 175.17 175.71 1i4y n PRO 7 N 5.32 1.54 -2.10 4.34 -0.04 -1.26 -5.05 135.00 137.75 1i4y n PRO 7 Ca -0.05 0.57 -0.30 0.00 -0.04 0.00 0.00 63.50 63.69 1i4y n PRO 7 Cb 0.49 -2.48 -0.05 0.00 -0.04 0.00 0.00 33.50 31.42 1i4y n PRO 7 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1i4y s TYR 8 N -1.32 1.87 0.02 0.54 6.14 -1.16 -4.88 117.35 118.56 1i4y s TYR 8 Ca 0.72 0.49 -0.04 0.00 0.64 0.00 0.00 57.07 58.89 1i4y s TYR 8 Cb -0.43 -4.12 -0.01 0.00 0.42 0.00 0.00 41.96 37.82 1i4y s TYR 8 CO 0.49 -1.83 0.05 0.08 0.64 0.00 0.00 175.55 174.98 1i4y s VAL 9 N 9.41 0.11 0.54 3.14 1.01 -1.26 -4.50 120.40 128.86 1i4y s VAL 9 Ca 0.67 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 1i4y s VAL 9 Cb -0.07 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1i4y s VAL 9 CO 0.01 -0.50 1.32 0.86 0.00 0.00 0.00 175.10 176.79 1i4y s TRP 10 N -1.74 2.35 0.05 5.22 -0.00 -1.26 -4.90 118.94 118.66 1i4y s TRP 10 Ca -0.13 1.41 -0.03 0.00 -0.00 0.00 0.00 56.10 57.34 1i4y s TRP 10 Cb -0.07 -3.73 -0.02 0.00 -0.00 0.00 0.00 33.47 29.65 1i4y s TRP 10 CO -0.01 -2.70 0.04 0.16 -0.00 0.00 0.00 176.95 174.44 1i4y s ASP 11 N -1.06 0.33 0.58 5.86 1.47 -1.26 -5.06 116.67 117.53 1i4y s ASP 11 Ca 0.71 -0.78 0.33 0.00 1.18 0.00 0.00 52.55 54.00 1i4y s ASP 11 Cb -0.38 0.22 1.35 0.00 -0.34 0.00 0.00 42.92 43.78 1i4y s ASP 11 CO 0.45 -0.58 1.63 -0.65 0.68 0.00 0.00 175.17 176.70 1i4y h PRO 12 N 3.32 0.00 0.00 2.11 0.11 -2.01 -1.06 132.00 134.47 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 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1i4y h PRO 12 CO 0.58 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 1i4y n SER 13 N -3.70 0.62 -0.65 -2.05 3.41 -1.26 -1.55 113.62 108.45 1i4y n SER 13 Ca 0.23 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.65 1i4y n SER 13 Cb 1.30 -0.81 0.38 0.00 -0.26 0.00 0.00 64.21 64.82 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 -2.22 0.12 -1.70 7.33 3.01 -0.40 -4.97 117.46 118.63 1i4y n PHE 14 Ca 0.01 -0.06 -0.43 0.00 1.01 0.00 0.00 57.45 57.98 1i4y n PHE 14 Cb 0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.61 1i4y n PHE 14 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1i4y n ARG 15 N 0.54 2.67 -0.00 -1.08 0.63 -0.59 -4.89 116.66 113.92 1i4y n ARG 15 Ca 0.17 0.96 0.09 0.00 -0.92 0.00 0.00 57.85 58.15 1i4y n ARG 15 Cb 0.41 -2.81 -0.12 0.00 0.45 0.00 0.00 32.46 30.39 1i4y n ARG 15 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1i4y n THR 16 N 4.09 0.00 -0.80 5.15 -2.24 -1.26 -4.98 114.28 114.23 1i4y n THR 16 Ca 0.17 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1i4y n THR 16 Cb 0.34 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.78 0.00 -3.78 4.78 3.72 -1.26 -4.82 117.46 114.31 1i4y n PHE 17 Ca -0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 1i4y n PHE 17 Cb 0.38 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.79 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 -2.25 3.16 0.14 1.38 2.02 -1.26 -5.02 117.35 115.52 1i4y s TYR 18 Ca 0.00 -1.14 -0.27 0.00 -0.37 0.00 0.00 57.07 55.30 1i4y s TYR 18 Cb 0.00 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.30 1i4y s TYR 18 CO 0.00 -0.63 1.60 0.77 -1.57 0.00 0.00 175.55 175.73 1i4y h SER 19 N 8.20 -1.07 -0.22 2.29 0.02 -1.99 -1.07 113.55 119.71 1i4y h SER 19 Ca -0.30 0.15 0.05 0.00 -0.84 0.00 0.00 61.79 60.86 1i4y h SER 19 Cb 1.11 0.45 -0.05 0.00 0.14 0.00 0.00 62.40 64.05 1i4y h SER 19 CO 0.60 -0.38 -0.12 -0.29 -1.14 0.00 0.00 176.83 175.51 1i4y h ILE 20 N -0.42 0.64 -0.05 3.27 2.10 -1.99 -1.35 117.51 119.70 1i4y h ILE 20 Ca 0.09 0.00 0.02 0.00 1.08 0.00 0.00 64.86 66.05 1i4y h ILE 20 Cb 0.57 0.64 -0.02 0.00 -1.09 0.00 0.00 36.82 36.92 1i4y h ILE 20 CO -0.36 0.00 -0.05 0.40 -1.08 0.00 0.00 178.15 177.06 1i4y h ILE 21 N -0.10 0.85 -0.82 2.19 1.08 -1.96 -1.31 117.51 117.44 1i4y h ILE 21 Ca 0.12 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.63 1i4y h ILE 21 Cb 0.28 0.85 -0.05 0.00 -3.07 0.00 0.00 36.82 34.83 1i4y h ILE 21 CO -0.28 0.00 0.52 0.44 -0.69 0.00 0.00 178.15 178.14 1i4y h ASP 22 N -0.07 0.86 -0.58 1.72 3.32 -0.97 0.14 116.42 120.83 1i4y h ASP 22 Ca 0.04 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1i4y h ASP 22 Cb 0.12 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1i4y h ASP 22 CO -0.09 0.58 0.03 0.44 -1.72 0.00 0.00 179.24 178.48 1i4y h ASP 23 N 1.00 1.00 -0.16 6.45 3.45 -1.02 -2.09 116.42 125.06 1i4y h ASP 23 Ca 0.33 -0.27 -0.09 0.00 0.43 0.00 0.00 57.03 57.44 1i4y h ASP 23 Cb 0.04 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.53 1i4y h ASP 23 CO -0.13 1.04 -0.17 -0.33 -1.57 0.00 0.00 179.24 178.09 1i4y h GLU 24 N 0.95 0.56 -0.25 3.56 5.08 -0.51 -2.37 114.58 121.60 1i4y h GLU 24 Ca 0.18 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1i4y h GLU 24 Cb 0.51 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1i4y h GLU 24 CO 0.02 0.70 -0.07 0.45 -1.00 0.00 0.00 179.01 179.12 1i4y h HIS 25 N 0.50 0.41 -0.23 4.33 3.86 -0.24 -2.15 115.15 121.64 1i4y h HIS 25 Ca 0.08 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 1i4y h HIS 25 Cb 0.58 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1i4y h HIS 25 CO 0.02 0.46 -0.07 0.87 0.86 0.00 0.00 177.93 180.08 1i4y h LYS 26 N 0.38 0.35 -0.00 2.45 1.57 -0.85 -2.20 116.57 118.27 1i4y h LYS 26 Ca 0.08 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1i4y h LYS 26 Cb 0.36 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1i4y h LYS 26 CO 0.02 0.44 -0.61 1.79 -0.57 0.00 0.00 179.45 180.51 1i4y h THR 27 N 0.34 1.44 -0.22 -0.16 1.35 -1.29 -2.78 112.91 111.59 1i4y h THR 27 Ca 0.07 -2.10 -0.19 0.00 -0.55 0.00 0.00 66.41 63.64 1i4y h THR 27 Cb 0.34 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1i4y h THR 27 CO 0.02 0.60 -0.62 -0.07 -0.25 0.00 0.00 175.52 175.20 1i4y h LEU 28 N 0.01 0.85 -0.51 3.87 3.38 -1.21 -1.53 115.31 120.16 1i4y h LEU 28 Ca -0.01 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 1i4y h LEU 28 Cb 1.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1i4y h LEU 28 CO 0.08 1.26 0.14 -0.26 0.09 0.00 0.00 178.44 179.75 1i4y h PHE 29 N 0.56 0.85 -0.81 1.13 -1.00 -1.41 -2.30 116.94 113.95 1i4y h PHE 29 Ca -0.01 -0.09 -0.04 0.00 2.81 0.00 0.00 57.97 60.64 1i4y h PHE 29 Cb 1.21 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 40.49 1i4y h PHE 29 CO 0.07 0.74 0.35 -0.97 -1.61 0.00 0.00 178.31 176.89 1i4y h ASN 30 N 0.71 1.10 -0.30 2.17 -1.24 -1.44 0.11 115.58 116.68 1i4y h ASN 30 Ca 0.16 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1i4y h ASN 30 Cb 0.31 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 1i4y h ASN 30 CO -0.00 0.95 0.15 1.23 -1.29 0.00 0.00 177.43 178.47 1i4y h GLY 31 N 1.17 0.46 1.63 1.57 0.00 -1.11 -2.55 103.07 104.23 1i4y h GLY 31 Ca 0.27 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 1i4y h GLY 31 CO -0.03 0.21 -0.38 -2.22 0.00 0.00 0.00 176.54 174.13 1i4y h ILE 32 N 0.35 1.30 -0.27 2.60 2.04 -1.17 -2.62 117.51 119.74 1i4y h ILE 32 Ca 0.10 -1.49 0.05 0.00 1.00 0.00 0.00 64.86 64.52 1i4y h ILE 32 Cb 0.11 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1i4y h ILE 32 CO -0.01 0.46 -0.05 0.15 0.00 0.00 0.00 178.15 178.70 1i4y h PHE 33 N 0.35 -0.10 -0.02 1.37 3.57 -0.72 -1.93 116.94 119.45 1i4y h PHE 33 Ca 0.04 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 1i4y h PHE 33 Cb 0.82 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1i4y h PHE 33 CO 0.02 -0.09 -0.61 0.45 -2.23 0.00 0.00 178.31 175.86 1i4y h HIS 34 N 0.02 0.10 -0.52 0.41 3.86 -1.39 -3.06 115.15 114.56 1i4y h HIS 34 Ca 0.13 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1i4y h HIS 34 Cb 0.19 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 1i4y h HIS 34 CO -0.25 0.66 0.19 -0.07 0.86 0.00 0.00 177.93 179.32 1i4y h LEU 35 N 0.06 0.69 -1.27 2.43 3.38 -1.07 0.47 115.31 120.01 1i4y h LEU 35 Ca -0.01 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1i4y h LEU 35 Cb 1.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1i4y h LEU 35 CO 0.08 0.64 -0.35 0.00 0.09 0.00 0.00 178.44 178.91 1i4y h ALA 36 N 1.46 1.26 0.00 1.53 0.00 -1.26 -2.64 119.26 119.61 1i4y h ALA 36 Ca 0.18 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1i4y h ALA 36 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1i4y h ALA 36 CO -0.01 0.43 -0.34 0.82 0.00 0.00 0.00 179.25 180.15 1i4y h ILE 37 N 0.00 0.53 -3.30 0.00 2.04 -1.34 -3.44 117.51 111.99 1i4y h ILE 37 Ca -0.00 -1.48 -0.59 0.00 1.00 0.00 0.00 64.86 63.80 1i4y h ILE 37 Cb 0.68 1.08 -0.40 0.00 -0.74 0.00 0.00 36.82 37.44 1i4y h ILE 37 CO 0.05 0.18 -0.76 -0.62 0.00 0.00 0.00 178.15 177.00 1i4y s ASP 38 N -5.95 3.94 -1.36 1.72 -1.08 0.09 -5.05 116.67 108.98 1i4y s ASP 38 Ca -0.13 -1.52 -0.16 0.00 -0.52 0.00 0.00 52.55 50.22 1i4y s ASP 38 Cb 0.01 -0.96 0.04 0.00 -1.46 0.00 0.00 42.92 40.54 1i4y s ASP 38 CO 0.30 -0.37 2.04 -0.67 0.52 0.00 0.00 175.17 176.99 1i4y n ASP 39 N 4.78 4.13 -4.66 -0.34 4.64 -0.99 -4.27 116.55 119.84 1i4y n ASP 39 Ca -0.04 -2.85 -0.31 0.00 -1.38 0.00 0.00 54.79 50.21 1i4y n ASP 39 Cb 0.43 -1.66 -0.09 0.00 -1.04 0.00 0.00 41.12 38.76 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 3.75 3.88 0.23 1.67 6.03 -1.26 -5.02 114.94 124.22 1i4y s ASN 40 Ca 0.51 -1.59 -0.07 0.00 -1.03 0.00 0.00 52.86 50.68 1i4y s ASN 40 Cb 0.10 0.30 0.22 0.00 -3.03 0.00 0.00 41.25 38.84 1i4y s ASN 40 CO -0.01 -0.77 1.87 0.00 -2.03 0.00 0.00 177.10 176.16 1i4y h ALA 41 N 1.51 1.17 -0.54 3.54 0.00 -1.99 -0.81 119.26 122.15 1i4y h ALA 41 Ca -0.43 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 1i4y h ALA 41 Cb 1.29 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1i4y h ALA 41 CO 0.74 0.65 -0.08 -0.44 0.00 0.00 0.00 179.25 180.12 1i4y h ASP 42 N 1.27 0.99 0.10 0.00 5.19 -1.97 0.01 116.42 122.02 1i4y h ASP 42 Ca 0.33 -0.31 -0.23 0.00 -0.62 0.00 0.00 57.03 56.20 1i4y h ASP 42 Cb -0.02 -0.27 0.01 0.00 0.18 0.00 0.00 39.33 39.24 1i4y h ASP 42 CO -0.06 1.08 -0.89 0.78 -3.12 0.00 0.00 179.24 177.04 1i4y h ASN 43 N 0.89 0.74 -0.58 6.45 2.35 -1.81 -2.19 115.58 121.43 1i4y h ASN 43 Ca 0.15 -0.54 -0.09 0.00 -0.55 0.00 0.00 56.30 55.27 1i4y h ASN 43 Cb 0.63 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1i4y h ASN 43 CO 0.04 1.33 0.02 0.25 -1.65 0.00 0.00 177.43 177.42 1i4y h LEU 44 N 0.37 1.00 -0.82 1.61 5.85 -1.07 -2.52 115.31 119.72 1i4y h LEU 44 Ca -0.08 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.28 1i4y h LEU 44 Cb 1.51 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1i4y h LEU 44 CO 0.17 1.04 -0.16 1.23 -0.34 0.00 0.00 178.44 180.38 1i4y h GLY 45 N 1.00 0.77 0.91 3.75 0.00 -0.97 0.17 103.07 108.71 1i4y h GLY 45 Ca 0.17 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1i4y h GLY 45 CO 0.03 0.55 -0.07 -2.09 0.00 0.00 0.00 176.54 174.95 1i4y h GLU 46 N 0.64 -0.20 -0.22 4.80 4.57 -1.18 -0.59 114.58 122.41 1i4y h GLU 46 Ca 0.10 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1i4y h GLU 46 Cb 0.63 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 1i4y h GLU 46 CO 0.04 -0.06 0.09 1.25 -1.18 0.00 0.00 179.01 179.16 1i4y h LEU 47 N -0.30 0.13 -0.38 1.64 5.85 -1.34 -2.14 115.31 118.77 1i4y h LEU 47 Ca -0.02 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1i4y h LEU 47 Cb 0.23 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1i4y h LEU 47 CO 0.03 0.10 0.01 -0.09 -0.34 0.00 0.00 178.44 178.16 1i4y h ARG 48 N 0.21 0.11 0.18 1.25 9.65 -0.48 0.45 114.38 125.75 1i4y h ARG 48 Ca 0.09 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1i4y h ARG 48 Cb 0.04 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1i4y h ARG 48 CO -0.07 0.08 -0.10 -0.09 2.80 0.00 0.00 179.97 182.58 1i4y h ARG 49 N 0.12 -0.25 -0.62 0.20 2.43 -0.97 0.76 114.38 116.04 1i4y h ARG 49 Ca 0.19 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1i4y h ARG 49 Cb 0.25 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1i4y h ARG 49 CO -0.30 -0.17 0.38 0.00 -1.51 0.00 0.00 179.97 178.37 1i4y h THR 51 N 0.73 1.26 -0.41 0.00 2.02 0.01 0.50 112.91 117.01 1i4y h THR 51 Ca 0.25 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 1i4y h THR 51 Cb 0.05 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1i4y h THR 51 CO -0.11 0.28 0.24 1.23 0.37 0.00 0.00 175.52 177.53 1i4y h GLY 52 N 0.18 0.61 0.85 2.16 0.00 -0.60 -0.43 103.07 105.83 1i4y h GLY 52 Ca 0.07 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1i4y h GLY 52 CO 0.01 0.25 -0.03 1.70 0.00 0.00 0.00 176.54 178.48 1i4y h LYS 53 N 0.54 0.46 0.18 4.80 3.64 -0.96 -2.16 116.57 123.07 1i4y h LYS 53 Ca 0.15 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1i4y h LYS 53 Cb 0.02 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1i4y h LYS 53 CO -0.03 0.66 -0.15 1.25 -2.27 0.00 0.00 179.45 178.91 1i4y h HIS 54 N 0.22 -0.40 -0.57 1.91 2.76 -0.77 -0.24 115.15 118.06 1i4y h HIS 54 Ca 0.07 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.31 1i4y h HIS 54 Cb 0.47 0.15 -0.06 0.00 1.55 0.00 0.00 27.41 29.52 1i4y h HIS 54 CO 0.04 -0.23 0.24 0.74 -1.30 0.00 0.00 177.93 177.42 1i4y h PHE 55 N -0.35 0.43 -0.06 5.26 0.04 -1.09 0.20 116.94 121.37 1i4y h PHE 55 Ca -0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1i4y h PHE 55 Cb 0.32 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 1i4y h PHE 55 CO -0.12 0.15 0.02 1.25 -0.60 0.00 0.00 178.31 179.02 1i4y h LEU 56 N 0.45 0.09 -0.83 1.54 5.85 -1.22 -0.59 115.31 120.60 1i4y h LEU 56 Ca 0.28 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1i4y h LEU 56 Cb 0.29 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1i4y h LEU 56 CO -0.25 0.23 0.55 0.78 -0.34 0.00 0.00 178.44 179.41 1i4y h ASN 57 N -0.06 0.94 -0.25 1.25 -0.26 -0.62 -0.07 115.58 116.51 1i4y h ASN 57 Ca 0.02 -0.02 -0.12 0.00 -0.56 0.00 0.00 56.30 55.63 1i4y h ASN 57 Cb 0.17 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 1i4y h ASN 57 CO -0.00 0.67 -0.24 -0.08 -1.06 0.00 0.00 177.43 176.72 1i4y h GLU 58 N 1.11 0.73 -0.50 0.81 4.81 -0.53 -1.69 114.58 119.32 1i4y h GLU 58 Ca 0.31 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1i4y h GLU 58 Cb -0.10 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1i4y h GLU 58 CO -0.08 0.90 0.01 1.96 -0.73 0.00 0.00 179.01 181.07 1i4y h GLN 59 N 0.63 0.83 -0.38 1.92 4.20 -0.33 -0.26 115.11 121.73 1i4y h GLN 59 Ca 0.09 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 1i4y h GLN 59 Cb 0.75 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1i4y h GLN 59 CO 0.06 0.83 -0.13 0.28 -0.67 0.00 0.00 178.83 179.19 1i4y h VAL 60 N 0.78 1.25 -0.23 -0.54 2.07 -0.65 0.11 116.25 119.03 1i4y h VAL 60 Ca 0.15 -1.15 -0.15 0.00 0.82 0.00 0.00 66.70 66.37 1i4y h VAL 60 Cb 0.45 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1i4y h VAL 60 CO 0.02 0.39 -0.43 0.25 0.02 0.00 0.00 177.57 177.82 1i4y h LEU 61 N 0.61 0.78 -0.53 2.57 5.85 -0.91 -1.97 115.31 121.71 1i4y h LEU 61 Ca 0.10 -0.54 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1i4y h LEU 61 Cb 0.58 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1i4y h LEU 61 CO 0.04 1.17 0.31 0.24 -0.34 0.00 0.00 178.44 179.86 1i4y h MET 62 N 0.41 0.72 0.00 1.25 2.86 -0.80 -2.47 114.93 116.91 1i4y h MET 62 Ca 0.01 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1i4y h MET 62 Cb 1.03 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1i4y h MET 62 CO 0.10 0.53 -0.24 1.96 1.06 0.00 0.00 176.91 180.32 1i4y h GLN 63 N 0.71 0.00 0.00 1.72 4.20 -0.93 0.16 115.11 120.96 1i4y h GLN 63 Ca 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1i4y h GLN 63 Cb 0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1i4y h GLN 63 CO -0.03 0.24 -0.02 0.00 -0.67 0.00 0.00 178.83 178.35 1i4y h ALA 64 N 1.76 1.09 0.00 3.87 0.00 -0.86 -0.34 119.26 124.79 1i4y h ALA 64 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i4y h ALA 64 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1i4y h ALA 64 CO 0.03 0.02 -0.02 0.43 0.00 0.00 0.00 179.25 179.71 1i4y n SER 65 N -3.24 2.09 -3.98 0.00 7.64 -1.09 -4.99 113.62 110.05 1i4y n SER 65 Ca -0.02 -2.63 -0.31 0.00 1.01 0.00 0.00 58.87 56.92 1i4y n SER 65 Cb 0.14 -0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.03 -2.04 -1.62 1.43 6.02 -0.14 -4.76 117.38 115.24 1i4y n GLN 66 Ca 0.10 0.31 -0.54 0.00 -0.01 0.00 0.00 57.00 56.86 1i4y n GLN 66 Cb 0.51 -4.00 -0.06 0.00 1.02 0.00 0.00 30.24 27.70 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 -4.48 1.61 -0.29 1.08 -0.00 0.51 -4.88 117.16 110.72 1i4y n TYR 67 Ca -0.24 0.64 0.05 0.00 -0.00 0.00 0.00 57.90 58.35 1i4y n TYR 67 Cb 0.65 -2.35 0.27 0.00 -0.00 0.00 0.00 39.34 37.91 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 5.15 0.93 -0.86 2.98 4.15 -1.90 -2.76 115.11 122.79 1i4y h GLN 68 Ca -0.48 -0.06 -0.53 0.00 0.77 0.00 0.00 58.65 58.36 1i4y h GLN 68 Cb 1.34 -0.21 -0.28 0.00 0.21 0.00 0.00 27.48 28.54 1i4y h GLN 68 CO 0.82 0.61 0.46 1.19 -1.93 0.00 0.00 178.83 179.98 1i4y n PHE 69 N -4.50 2.76 -0.20 3.99 3.01 -1.26 -4.69 117.46 116.57 1i4y n PHE 69 Ca 0.14 -2.30 -0.07 0.00 1.01 0.00 0.00 57.45 56.23 1i4y n PHE 69 Cb 0.24 -1.00 0.03 0.00 -0.01 0.00 0.00 39.48 38.74 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 1.50 0.80 -0.23 1.38 5.03 -1.87 -2.49 116.97 121.09 1i4y h TYR 70 Ca 0.53 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.80 1i4y h TYR 70 Cb 1.75 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 39.77 1i4y h TYR 70 CO 1.37 0.60 0.11 -0.44 -1.32 0.00 0.00 178.16 178.48 1i4y h ASP 71 N 0.76 0.29 -0.17 -2.11 3.32 -1.86 -0.12 116.42 116.53 1i4y h ASP 71 Ca 0.20 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1i4y h ASP 71 Cb 0.09 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1i4y h ASP 71 CO -0.03 0.33 -0.00 1.05 -1.72 0.00 0.00 179.24 178.87 1i4y h GLU 72 N 0.24 0.42 -0.28 3.56 -0.00 -1.92 -2.10 114.58 114.50 1i4y h GLU 72 Ca 0.08 -0.08 -0.16 0.00 -0.00 0.00 0.00 59.36 59.20 1i4y h GLU 72 Cb 0.11 -0.07 -0.00 0.00 -0.00 0.00 0.00 28.75 28.79 1i4y h GLU 72 CO -0.01 0.45 -0.45 1.25 -0.00 0.00 0.00 179.01 180.25 1i4y h HIS 73 N 0.41 1.00 -0.65 2.06 2.76 -1.14 -2.84 115.15 116.75 1i4y h HIS 73 Ca 0.09 -0.34 -0.06 0.00 -2.20 0.00 0.00 60.37 57.86 1i4y h HIS 73 Cb 0.27 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 1i4y h HIS 73 CO 0.01 1.15 0.17 -0.22 -1.30 0.00 0.00 177.93 177.74 1i4y h LYS 74 N 0.57 1.02 -0.48 5.26 3.64 -0.68 -2.30 116.57 123.59 1i4y h LYS 74 Ca 0.02 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 1i4y h LYS 74 Cb 1.06 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1i4y h LYS 74 CO 0.10 0.89 0.18 0.87 -2.27 0.00 0.00 179.45 179.22 1i4y h LYS 75 N 0.97 0.69 -0.12 1.90 1.57 -1.33 -0.85 116.57 119.39 1i4y h LYS 75 Ca 0.21 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1i4y h LYS 75 Cb 0.32 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1i4y h LYS 75 CO -0.00 0.58 0.00 0.93 -0.57 0.00 0.00 179.45 180.39 1i4y h GLU 76 N 0.68 0.22 -0.34 3.15 4.39 -1.23 -2.27 114.58 119.19 1i4y h GLU 76 Ca 0.16 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.85 1i4y h GLU 76 Cb 0.16 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 1i4y h GLU 76 CO -0.01 0.46 0.05 0.45 -1.16 0.00 0.00 179.01 178.79 1i4y h HIS 77 N -0.05 0.07 -0.81 4.33 3.86 -0.97 -1.60 115.15 119.99 1i4y h HIS 77 Ca 0.04 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.32 1i4y h HIS 77 Cb 0.36 0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.80 1i4y h HIS 77 CO 0.03 -0.01 0.53 0.93 0.86 0.00 0.00 177.93 180.27 1i4y h GLU 78 N 0.16 0.91 -0.19 2.45 5.08 -1.12 -1.40 114.58 120.47 1i4y h GLU 78 Ca 0.16 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1i4y h GLU 78 Cb 0.20 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1i4y h GLU 78 CO -0.23 0.60 0.04 1.15 -1.00 0.00 0.00 179.01 179.57 1i4y h THR 79 N 0.94 0.93 -0.39 1.13 2.02 -0.69 -0.19 112.91 116.66 1i4y h THR 79 Ca 0.34 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.43 1i4y h THR 79 Cb 0.14 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1i4y h THR 79 CO -0.11 0.02 0.07 0.15 0.37 0.00 0.00 175.52 176.02 1i4y h PHE 80 N 0.12 0.69 -0.76 3.16 3.57 -1.01 -2.34 116.94 120.38 1i4y h PHE 80 Ca 0.08 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1i4y h PHE 80 Cb 0.07 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1i4y h PHE 80 CO -0.13 0.68 0.49 0.82 -2.23 0.00 0.00 178.31 177.94 1i4y h ILE 81 N 0.50 1.16 -0.79 1.41 1.08 -1.08 -1.35 117.51 118.45 1i4y h ILE 81 Ca 0.12 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 64.28 1i4y h ILE 81 Cb 0.36 0.09 -0.05 0.00 -3.07 0.00 0.00 36.82 34.15 1i4y h ILE 81 CO 0.01 0.18 0.51 -0.74 -0.69 0.00 0.00 178.15 177.42 1i4y h HIS 82 N 0.99 0.96 -0.69 1.37 2.76 -0.83 0.12 115.15 119.83 1i4y h HIS 82 Ca 0.29 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.42 1i4y h HIS 82 Cb -0.07 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.55 1i4y h HIS 82 CO -0.03 0.57 0.17 0.00 -1.30 0.00 0.00 177.93 177.35 1i4y h ALA 83 N 1.32 0.90 -0.14 5.26 0.00 -0.83 -1.58 119.26 124.19 1i4y h ALA 83 Ca 0.31 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1i4y h ALA 83 Cb -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1i4y h ALA 83 CO -0.10 0.62 -0.38 -0.07 0.00 0.00 0.00 179.25 179.32 1i4y h LEU 84 N 1.02 0.31 -0.05 0.00 4.07 -0.67 -1.98 115.31 118.01 1i4y h LEU 84 Ca 0.22 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1i4y h LEU 84 Cb 0.36 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1i4y h LEU 84 CO 0.00 0.67 -0.15 0.47 -1.08 0.00 0.00 178.44 178.35 1i4y n ASP 85 N -4.05 0.23 -2.86 -0.43 10.43 -0.03 -3.53 116.55 116.32 1i4y n ASP 85 Ca -0.01 0.01 -0.15 0.00 2.57 0.00 0.00 54.79 57.21 1i4y n ASP 85 Cb 0.46 -0.20 0.00 0.00 1.84 0.00 0.00 41.12 43.23 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 -1.36 1.73 -4.70 -2.24 3.02 -0.63 -5.07 115.26 106.02 1i4y n ASN 86 Ca 0.09 -2.98 -0.42 0.00 -0.03 0.00 0.00 54.58 51.24 1i4y n ASN 86 Cb 0.32 -0.56 -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 -2.93 2.68 -0.17 3.10 -0.00 -0.76 -4.81 118.94 116.05 1i4y s TRP 87 Ca 0.35 0.50 0.10 0.00 -0.00 0.00 0.00 56.10 57.05 1i4y s TRP 87 Cb 0.40 -3.90 0.19 0.00 -0.00 0.00 0.00 33.47 30.17 1i4y s TRP 87 CO -0.04 -3.47 1.12 0.36 -0.00 0.00 0.00 176.95 174.92 1i4y n LYS 88 N 5.07 2.37 -1.16 5.86 -0.00 -1.26 -5.01 118.16 124.03 1i4y n LYS 88 Ca 0.15 -2.08 -0.06 0.00 -0.00 0.00 0.00 58.31 56.32 1i4y n LYS 88 Cb 0.41 -1.29 -0.02 0.00 -0.00 0.00 0.00 35.03 34.12 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 -0.71 0.82 3.40 2.58 0.00 -1.26 -4.97 105.19 105.04 1i4y n GLY 89 Ca 0.09 -0.76 -0.44 0.00 0.00 0.00 0.00 46.02 44.91 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 1.01 5.10 -0.07 1.61 4.64 -1.26 -4.77 116.55 122.81 1i4y n ASP 90 Ca -0.06 -2.98 -0.01 0.00 -1.38 0.00 0.00 54.79 50.37 1i4y n ASP 90 Cb 0.19 -1.60 0.26 0.00 -1.04 0.00 0.00 41.12 38.93 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 4.72 1.20 -0.36 5.18 3.04 -1.95 -2.40 116.25 125.68 1i4y h VAL 91 Ca 0.36 -0.73 0.02 0.00 -1.01 0.00 0.00 66.70 65.35 1i4y h VAL 91 Cb 0.84 0.75 -0.03 0.00 -2.01 0.00 0.00 31.29 30.84 1i4y h VAL 91 CO 1.36 0.27 0.19 0.50 -1.01 0.00 0.00 177.57 178.87 1i4y h LYS 92 N 0.66 0.38 -0.46 4.17 3.64 -2.00 -0.30 116.57 122.65 1i4y h LYS 92 Ca 0.15 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1i4y h LYS 92 Cb 0.26 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1i4y h LYS 92 CO -0.00 0.25 0.27 2.35 -2.27 0.00 0.00 179.45 180.05 1i4y h TRP 93 N 0.39 0.62 -0.72 1.91 7.01 -1.88 -2.16 115.95 121.12 1i4y h TRP 93 Ca 0.15 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.15 1i4y h TRP 93 Cb 0.05 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 26.87 1i4y h TRP 93 CO -0.09 0.45 0.47 0.00 -2.79 0.00 0.00 178.44 176.47 1i4y h ALA 94 N 1.12 0.92 -0.26 2.65 0.00 -0.94 0.23 119.26 122.98 1i4y h ALA 94 Ca 0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1i4y h ALA 94 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1i4y h ALA 94 CO -0.03 0.36 0.14 0.87 0.00 0.00 0.00 179.25 180.59 1i4y h LYS 95 N 0.98 0.36 -0.59 0.00 1.57 -0.89 -2.06 116.57 115.94 1i4y h LYS 95 Ca 0.26 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1i4y h LYS 95 Cb -0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1i4y h LYS 95 CO -0.05 0.32 0.03 1.03 -0.57 0.00 0.00 179.45 180.21 1i4y h SER 96 N 0.31 0.99 -0.02 0.86 0.87 -1.01 -2.80 113.55 112.74 1i4y h SER 96 Ca 0.09 -0.29 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 1i4y h SER 96 Cb 0.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 1i4y h SER 96 CO -0.01 1.03 -0.03 -0.25 -0.53 0.00 0.00 176.83 177.04 1i4y h TRP 97 N 0.91 -0.07 -0.32 2.24 7.01 -0.33 -1.54 115.95 123.85 1i4y h TRP 97 Ca 0.17 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 1i4y h TRP 97 Cb 0.51 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 1i4y h TRP 97 CO 0.04 -0.05 0.16 1.25 -2.79 0.00 0.00 178.44 177.05 1i4y h LEU 98 N -0.04 0.41 0.05 0.65 5.85 -1.39 0.75 115.31 121.59 1i4y h LEU 98 Ca 0.02 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1i4y h LEU 98 Cb 0.07 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1i4y h LEU 98 CO -0.05 0.41 -0.17 0.58 -0.34 0.00 0.00 178.44 178.88 1i4y h VAL 99 N 0.38 0.61 -0.11 1.05 2.07 -1.38 -1.52 116.25 117.34 1i4y h VAL 99 Ca 0.11 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.53 1i4y h VAL 99 Cb 0.10 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1i4y h VAL 99 CO -0.01 0.00 -0.39 0.78 0.02 0.00 0.00 177.57 177.96 1i4y h ASN 100 N -0.30 0.25 -0.37 0.57 2.35 -1.22 -1.99 115.58 114.86 1i4y h ASN 100 Ca 0.04 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 1i4y h ASN 100 Cb 0.34 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1i4y h ASN 100 CO -0.12 0.62 0.02 -0.74 -1.65 0.00 0.00 177.43 175.56 1i4y h HIS 101 N 0.20 0.69 0.14 1.19 2.76 -0.53 -1.19 115.15 118.41 1i4y h HIS 101 Ca 0.02 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.07 1i4y h HIS 101 Cb 0.78 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.56 1i4y h HIS 101 CO 0.01 0.72 -0.06 0.82 -1.30 0.00 0.00 177.93 178.12 1i4y h ILE 102 N 0.47 1.01 0.00 6.26 2.04 -1.19 0.21 117.51 126.31 1i4y h ILE 102 Ca 0.11 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 1i4y h ILE 102 Cb 0.43 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1i4y h ILE 102 CO 0.01 0.16 -0.01 0.11 0.00 0.00 0.00 178.15 178.43 1i4y h LYS 103 N -0.51 0.00 0.00 2.37 1.57 -1.37 -1.05 116.57 117.58 1i4y h LYS 103 Ca -0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1i4y h LYS 103 Cb 0.40 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1i4y h LYS 103 CO 0.03 0.01 -1.52 0.25 -0.57 0.00 0.00 179.45 177.64 1i4y n THR 104 N -3.10 0.52 -0.09 -0.16 -2.24 -0.45 -4.57 114.28 104.20 1i4y n THR 104 Ca 0.01 -0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 1i4y n THR 104 Cb 0.35 -0.99 -0.08 0.00 -2.10 0.00 0.00 70.33 67.51 1i4y n THR 104 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1i4y h ILE 105 N -0.07 0.72 -0.73 2.28 1.08 -1.17 -3.35 117.51 116.27 1i4y h ILE 105 Ca -0.21 -1.83 -0.02 0.00 -0.39 0.00 0.00 64.86 62.41 1i4y h ILE 105 Cb 1.29 1.65 -0.03 0.00 -3.07 0.00 0.00 36.82 36.66 1i4y h ILE 105 CO -0.06 0.24 0.39 0.44 -0.69 0.00 0.00 178.15 178.48 1i4y h ASP 106 N -1.00 0.92 -0.06 1.72 3.32 -0.52 -2.73 116.42 118.06 1i4y h ASP 106 Ca -0.21 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.76 1i4y h ASP 106 Cb 1.00 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 1i4y h ASP 106 CO -0.12 0.75 0.08 -0.26 -1.72 0.00 0.00 179.24 177.97 1i4y h PHE 107 N 1.01 0.00 0.00 4.55 0.05 -1.39 -1.76 116.94 119.39 1i4y h PHE 107 Ca 0.26 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 62.04 1i4y h PHE 107 Cb 0.05 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.00 1i4y h PHE 107 CO -0.00 0.00 -0.02 0.87 -0.18 0.00 0.00 178.31 178.98 1i4y h LYS 108 N 0.00 0.00 -0.22 1.51 1.79 -1.61 -2.22 116.57 115.81 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 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1i4y h LYS 108 CO -0.00 0.02 0.00 2.48 -1.08 0.00 0.00 179.45 180.87 1i4y n TYR 109 N -3.16 0.28 -1.69 -1.35 0.18 -0.66 -4.89 117.16 105.87 1i4y n TYR 109 Ca -0.01 -0.14 -0.44 0.00 1.88 0.00 0.00 57.90 59.18 1i4y n TYR 109 Cb 0.18 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.11 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 0.74 2.53 -0.96 -3.48 5.02 -0.84 -0.97 118.16 120.20 1i4y n LYS 110 Ca 0.17 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.38 1i4y n LYS 110 Cb 0.43 -2.76 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 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 3.98 0.43 0.10 0.72 0.00 -1.26 -4.84 105.19 104.32 1i4y n GLY 111 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.80 2.66 0.00 1.61 5.02 -0.14 -5.26 118.16 120.25 1i4y n LYS 112 Ca 0.00 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 1i4y n LYS 112 Cb 0.12 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 1i4y n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32