#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 3.12 0.42 1.61 0.08 -1.26 -5.10 117.98 116.85 1i4y s PHE 2 Ca 0.00 -0.14 -0.24 0.00 0.12 0.00 0.00 56.93 56.67 1i4y s PHE 2 Cb 0.00 -1.52 -0.08 0.00 -0.57 0.00 0.00 43.02 40.85 1i4y s PHE 2 CO 0.00 0.42 1.16 -1.25 -0.10 0.00 0.00 175.22 175.45 1i4y s PRO 3 N -3.90 3.95 -0.44 0.24 0.04 -1.26 -4.98 135.00 128.63 1i4y s PRO 3 Ca 0.35 1.79 -0.20 0.00 0.04 0.00 0.00 61.00 62.98 1i4y s PRO 3 Cb -0.08 -2.56 0.03 0.00 0.04 0.00 0.00 34.50 31.93 1i4y s PRO 3 CO 0.26 -0.40 0.63 0.42 0.04 0.00 0.00 177.00 177.95 1i4y s ILE 4 N -1.49 4.85 0.35 0.56 -1.09 -1.26 -5.03 121.20 118.10 1i4y s ILE 4 Ca 0.60 0.02 -0.28 0.00 -2.23 0.00 0.00 60.65 58.75 1i4y s ILE 4 Cb -0.29 -4.20 -0.12 0.00 -1.58 0.00 0.00 42.46 36.27 1i4y s ILE 4 CO 0.36 -0.61 1.43 -0.81 -1.23 0.00 0.00 174.94 174.08 1i4y n PRO 5 N 6.21 2.47 -3.66 2.79 -0.04 -1.26 -5.00 135.00 136.52 1i4y n PRO 5 Ca -0.02 0.87 -0.26 0.00 -0.04 0.00 0.00 63.50 64.05 1i4y n PRO 5 Cb 0.48 -2.55 -0.17 0.00 -0.04 0.00 0.00 33.50 31.22 1i4y n PRO 5 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1i4y s ASP 6 N -0.12 2.30 0.65 3.54 -1.08 -1.26 -2.82 116.67 117.89 1i4y s ASP 6 Ca 0.56 -0.56 -0.17 0.00 -0.52 0.00 0.00 52.55 51.86 1i4y s ASP 6 Cb -0.52 -0.33 -0.00 0.00 -1.46 0.00 0.00 42.92 40.61 1i4y s ASP 6 CO 0.61 -0.32 1.20 -2.16 0.52 0.00 0.00 175.17 175.03 1i4y s PRO 7 N 2.06 2.61 -0.95 4.34 0.04 -1.26 -5.04 135.00 136.81 1i4y s PRO 7 Ca 0.02 1.78 -0.24 0.00 0.04 0.00 0.00 61.00 62.60 1i4y s PRO 7 Cb -0.16 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1i4y s PRO 7 CO -0.08 -1.48 1.83 -0.47 0.04 0.00 0.00 177.00 176.85 1i4y s TYR 8 N -1.80 1.99 0.03 0.56 6.14 -1.13 -4.89 117.35 118.25 1i4y s TYR 8 Ca 0.76 0.26 0.00 0.00 0.64 0.00 0.00 57.07 58.73 1i4y s TYR 8 Cb -0.30 -4.20 -0.02 0.00 0.42 0.00 0.00 41.96 37.86 1i4y s TYR 8 CO 0.39 -1.76 -0.04 0.08 0.64 0.00 0.00 175.55 174.86 1i4y s VAL 9 N 8.90 0.19 0.49 3.14 1.01 -1.26 -4.46 120.40 128.40 1i4y s VAL 9 Ca 0.64 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 1i4y s VAL 9 Cb -0.05 -0.39 -0.07 0.00 0.00 0.00 0.00 36.38 35.87 1i4y s VAL 9 CO -0.02 -0.51 1.29 0.86 0.00 0.00 0.00 175.10 176.72 1i4y s TRP 10 N -1.59 2.58 0.05 5.22 -0.00 -1.26 -4.89 118.94 119.04 1i4y s TRP 10 Ca -0.14 1.42 -0.01 0.00 -0.00 0.00 0.00 56.10 57.38 1i4y s TRP 10 Cb -0.09 -3.66 -0.04 0.00 -0.00 0.00 0.00 33.47 29.68 1i4y s TRP 10 CO -0.01 -2.33 -0.03 0.16 -0.00 0.00 0.00 176.95 174.73 1i4y s ASP 11 N -1.00 0.53 0.54 5.86 1.47 -1.26 -5.05 116.67 117.76 1i4y s ASP 11 Ca 0.65 -0.93 0.21 0.00 1.18 0.00 0.00 52.55 53.66 1i4y s ASP 11 Cb -0.37 0.17 1.13 0.00 -0.34 0.00 0.00 42.92 43.51 1i4y s ASP 11 CO 0.45 -0.54 1.59 -0.65 0.68 0.00 0.00 175.17 176.70 1i4y h PRO 12 N 3.35 0.00 0.00 2.11 0.11 -2.01 -1.61 132.00 133.95 1i4y h PRO 12 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1i4y h PRO 12 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1i4y h PRO 12 CO 0.62 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.07 1i4y h SER 13 N 0.00 0.00 -0.10 -2.05 4.64 -2.01 -2.18 113.55 111.84 1i4y h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i4y h SER 13 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1i4y h SER 13 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 1i4y n PHE 14 N -2.71 0.12 -1.68 4.77 3.01 -0.61 -4.97 117.46 115.40 1i4y n PHE 14 Ca 0.01 -0.06 -0.44 0.00 1.01 0.00 0.00 57.45 57.97 1i4y n PHE 14 Cb 0.26 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.69 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 0.52 2.58 0.01 -1.08 0.63 -0.82 -4.89 116.66 113.62 1i4y n ARG 15 Ca 0.17 0.94 0.11 0.00 -0.92 0.00 0.00 57.85 58.16 1i4y n ARG 15 Cb 0.41 -2.83 0.01 0.00 0.45 0.00 0.00 32.46 30.50 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 4.90 0.10 -1.00 5.15 -2.24 -1.26 -4.96 114.28 114.97 1i4y n THR 16 Ca 0.20 -0.17 -0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1i4y n THR 16 Cb 0.35 0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.81 0.00 -3.77 4.78 3.72 -1.26 -4.81 117.46 114.31 1i4y n PHE 17 Ca 0.03 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.06 1i4y n PHE 17 Cb 0.41 -0.15 -0.11 0.00 -0.94 0.00 0.00 39.48 38.68 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 3.58 0.26 1.38 2.02 -1.26 -5.00 117.35 116.32 1i4y s TYR 18 Ca 0.00 -2.41 -0.08 0.00 -0.37 0.00 0.00 57.07 54.21 1i4y s TYR 18 Cb 0.00 -3.24 0.44 0.00 -0.40 0.00 0.00 41.96 38.76 1i4y s TYR 18 CO 0.00 -0.97 1.59 0.66 -1.57 0.00 0.00 175.55 175.26 1i4y h SER 19 N 8.03 -0.66 -0.44 2.29 4.64 -1.99 0.71 113.55 126.12 1i4y h SER 19 Ca -0.13 0.25 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 1i4y h SER 19 Cb 1.05 0.49 -0.01 0.00 -0.31 0.00 0.00 62.40 63.61 1i4y h SER 19 CO 0.70 -0.27 -0.10 -0.29 -0.87 0.00 0.00 176.83 176.00 1i4y h ILE 20 N 0.02 1.27 -0.25 0.95 6.09 -1.99 -2.08 117.51 121.52 1i4y h ILE 20 Ca 0.44 -1.21 -0.01 0.00 -1.37 0.00 0.00 64.86 62.71 1i4y h ILE 20 Cb 0.73 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 39.15 1i4y h ILE 20 CO -0.84 0.41 0.13 0.40 -3.07 0.00 0.00 178.15 175.18 1i4y h ILE 21 N 0.68 1.12 -0.97 2.19 2.04 -1.78 -1.77 117.51 119.02 1i4y h ILE 21 Ca 0.11 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1i4y h ILE 21 Cb 0.64 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 1i4y h ILE 21 CO 0.04 0.12 0.64 0.44 0.00 0.00 0.00 178.15 179.39 1i4y h ASP 22 N 0.28 1.07 -0.20 1.72 3.32 -0.78 0.02 116.42 121.85 1i4y h ASP 22 Ca 0.09 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 1i4y h ASP 22 Cb 0.07 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1i4y h ASP 22 CO -0.01 0.73 -0.17 0.44 -1.72 0.00 0.00 179.24 178.52 1i4y h ASP 23 N 1.24 0.62 -0.36 6.45 3.45 -1.14 -1.63 116.42 125.04 1i4y h ASP 23 Ca 0.38 -0.19 -0.14 0.00 0.43 0.00 0.00 57.03 57.52 1i4y h ASP 23 Cb -0.01 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 1i4y h ASP 23 CO -0.12 0.80 -0.29 -0.33 -1.57 0.00 0.00 179.24 177.73 1i4y h GLU 24 N 0.56 0.89 -1.01 3.56 5.08 -0.42 -2.76 114.58 120.48 1i4y h GLU 24 Ca 0.09 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1i4y h GLU 24 Cb 0.60 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1i4y h GLU 24 CO 0.04 1.06 0.67 0.45 -1.00 0.00 0.00 179.01 180.22 1i4y h HIS 25 N 0.75 1.26 -0.98 4.33 3.86 -0.48 -1.69 115.15 122.20 1i4y h HIS 25 Ca 0.08 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.45 1i4y h HIS 25 Cb 0.85 -0.43 -0.08 0.00 1.06 0.00 0.00 27.41 28.82 1i4y h HIS 25 CO 0.05 0.78 0.62 0.87 0.86 0.00 0.00 177.93 181.12 1i4y h LYS 26 N 1.35 0.92 -0.38 2.45 1.57 -1.02 -1.35 116.57 120.12 1i4y h LYS 26 Ca 0.37 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 59.00 1i4y h LYS 26 Cb -0.13 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 31.95 1i4y h LYS 26 CO -0.09 0.61 -0.16 1.79 -0.57 0.00 0.00 179.45 181.03 1i4y h THR 27 N 0.95 1.26 -0.65 -0.16 1.35 -1.21 -2.55 112.91 111.89 1i4y h THR 27 Ca 0.48 -1.21 -0.09 0.00 -0.55 0.00 0.00 66.41 65.05 1i4y h THR 27 Cb 0.52 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 1i4y h THR 27 CO -0.25 0.40 0.07 -0.07 -0.25 0.00 0.00 175.52 175.42 1i4y h LEU 28 N 0.62 1.07 -0.55 3.87 3.38 -1.04 -0.54 115.31 122.12 1i4y h LEU 28 Ca 0.10 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1i4y h LEU 28 Cb 0.62 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1i4y h LEU 28 CO 0.04 1.08 0.17 -0.26 0.09 0.00 0.00 178.44 179.56 1i4y h PHE 29 N 1.02 0.89 -0.42 1.13 -1.00 -1.30 -2.28 116.94 114.98 1i4y h PHE 29 Ca 0.19 -0.09 -0.03 0.00 2.81 0.00 0.00 57.97 60.85 1i4y h PHE 29 Cb 0.49 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 1i4y h PHE 29 CO 0.04 0.76 0.15 -0.97 -1.61 0.00 0.00 178.31 176.68 1i4y h ASN 30 N 0.77 0.59 -0.62 2.17 -1.24 -1.15 -0.18 115.58 115.92 1i4y h ASN 30 Ca 0.18 -0.18 0.05 0.00 0.71 0.00 0.00 56.30 57.06 1i4y h ASN 30 Cb 0.29 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.13 1i4y h ASN 30 CO -0.00 0.62 0.34 1.23 -1.29 0.00 0.00 177.43 178.32 1i4y h GLY 31 N 0.54 0.91 1.33 1.57 0.00 -0.96 -1.93 103.07 104.51 1i4y h GLY 31 Ca 0.14 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.09 1i4y h GLY 31 CO -0.01 0.15 -0.39 -2.22 0.00 0.00 0.00 176.54 174.07 1i4y h ILE 32 N 0.64 1.29 -0.42 2.60 2.04 -1.26 -2.35 117.51 120.05 1i4y h ILE 32 Ca 0.28 -1.56 0.09 0.00 1.00 0.00 0.00 64.86 64.66 1i4y h ILE 32 Cb 0.17 1.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.63 1i4y h ILE 32 CO -0.17 0.51 -0.13 0.15 0.00 0.00 0.00 178.15 178.51 1i4y h PHE 33 N 0.61 -0.28 -0.11 1.37 3.57 -0.29 -1.14 116.94 120.67 1i4y h PHE 33 Ca 0.05 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 1i4y h PHE 33 Cb 0.94 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1i4y h PHE 33 CO 0.05 -0.21 -0.62 0.45 -2.23 0.00 0.00 178.31 175.76 1i4y h HIS 34 N -0.03 0.48 0.00 0.41 3.86 -1.34 -2.92 115.15 115.61 1i4y h HIS 34 Ca 0.20 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1i4y h HIS 34 Cb 0.34 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 1i4y h HIS 34 CO -0.39 0.89 -0.08 1.25 0.86 0.00 0.00 177.93 180.47 1i4y h LEU 35 N 0.27 0.00 -0.48 2.43 7.12 -0.79 0.16 115.31 124.02 1i4y h LEU 35 Ca -0.01 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.83 1i4y h LEU 35 Cb 1.15 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.27 1i4y h LEU 35 CO 0.10 0.08 -0.72 0.00 -0.13 0.00 0.00 178.44 177.77 1i4y h ALA 36 N 1.92 0.68 0.00 1.25 0.00 -1.04 -2.74 119.26 119.34 1i4y h ALA 36 Ca -0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1i4y h ALA 36 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1i4y h ALA 36 CO 0.01 0.79 -0.00 0.82 0.00 0.00 0.00 179.25 180.87 1i4y h ILE 37 N 0.19 1.69 -3.03 0.00 2.04 -1.20 -3.43 117.51 113.78 1i4y h ILE 37 Ca -0.02 -2.26 -0.60 0.00 1.00 0.00 0.00 64.86 62.97 1i4y h ILE 37 Cb 1.27 3.19 -0.40 0.00 -0.74 0.00 0.00 36.82 40.15 1i4y h ILE 37 CO 0.11 0.57 -0.75 -0.62 0.00 0.00 0.00 178.15 177.47 1i4y s ASP 38 N -6.18 3.75 -1.29 1.72 -1.08 0.45 -5.05 116.67 108.99 1i4y s ASP 38 Ca -0.18 -2.28 -0.17 0.00 -0.52 0.00 0.00 52.55 49.40 1i4y s ASP 38 Cb -0.03 -0.95 0.02 0.00 -1.46 0.00 0.00 42.92 40.49 1i4y s ASP 38 CO 0.65 -0.32 1.98 -0.67 0.52 0.00 0.00 175.17 177.33 1i4y n ASP 39 N 3.99 4.05 -4.31 -0.34 4.64 -1.03 -4.37 116.55 119.18 1i4y n ASP 39 Ca 0.06 -2.84 -0.28 0.00 -1.38 0.00 0.00 54.79 50.34 1i4y n ASP 39 Cb 0.37 -1.64 -0.06 0.00 -1.04 0.00 0.00 41.12 38.75 1i4y n ASP 39 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 1i4y n ASN 40 N 7.97 3.06 -0.21 1.67 2.04 -1.26 -5.04 115.26 123.49 1i4y n ASN 40 Ca 0.50 -2.97 -0.08 0.00 -0.44 0.00 0.00 54.58 51.58 1i4y n ASN 40 Cb 0.43 0.37 0.02 0.00 -2.53 0.00 0.00 39.78 38.07 1i4y n ASN 40 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1i4y h ALA 41 N 1.26 0.77 -0.43 -2.53 0.00 -1.99 -2.11 119.26 114.23 1i4y h ALA 41 Ca -0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1i4y h ALA 41 Cb 1.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1i4y h ALA 41 CO 0.61 0.48 0.21 -0.44 0.00 0.00 0.00 179.25 180.11 1i4y h ASP 42 N 0.85 0.57 -0.05 0.00 3.32 -1.97 -0.44 116.42 118.70 1i4y h ASP 42 Ca 0.18 -0.13 -0.17 0.00 0.02 0.00 0.00 57.03 56.94 1i4y h ASP 42 Cb 0.35 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1i4y h ASP 42 CO 0.00 0.53 -0.57 0.78 -1.72 0.00 0.00 179.24 178.27 1i4y h ASN 43 N 0.56 0.72 -0.74 6.45 2.35 -1.84 -2.25 115.58 120.83 1i4y h ASN 43 Ca 0.15 -0.39 -0.02 0.00 -0.55 0.00 0.00 56.30 55.48 1i4y h ASN 43 Cb 0.12 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 1i4y h ASN 43 CO -0.02 1.13 0.37 0.25 -1.65 0.00 0.00 177.43 177.52 1i4y h LEU 44 N 0.49 0.96 -1.12 1.61 5.85 -1.24 -2.03 115.31 119.82 1i4y h LEU 44 Ca 0.00 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1i4y h LEU 44 Cb 1.14 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1i4y h LEU 44 CO 0.11 0.81 0.14 1.23 -0.34 0.00 0.00 178.44 180.40 1i4y h GLY 45 N 1.04 0.82 0.77 3.75 0.00 -0.93 0.44 103.07 108.96 1i4y h GLY 45 Ca 0.26 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1i4y h GLY 45 CO -0.03 0.42 0.01 -2.09 0.00 0.00 0.00 176.54 174.85 1i4y h GLU 46 N 0.75 0.13 0.05 4.80 4.57 -0.97 -0.28 114.58 123.63 1i4y h GLU 46 Ca 0.17 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1i4y h GLU 46 Cb 0.24 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1i4y h GLU 46 CO -0.01 0.36 -0.02 1.25 -1.18 0.00 0.00 179.01 179.41 1i4y h LEU 47 N -0.12 -0.05 -0.87 1.64 5.85 -1.08 -1.63 115.31 119.04 1i4y h LEU 47 Ca 0.02 -0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.80 1i4y h LEU 47 Cb 0.30 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 1i4y h LEU 47 CO 0.00 0.04 0.49 -0.09 -0.34 0.00 0.00 178.44 178.54 1i4y h ARG 48 N -0.15 0.72 0.30 1.25 9.65 -0.06 0.52 114.38 126.61 1i4y h ARG 48 Ca -0.01 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 1i4y h ARG 48 Cb 0.13 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1i4y h ARG 48 CO 0.01 0.47 -0.14 -0.09 2.80 0.00 0.00 179.97 183.02 1i4y h ARG 49 N 0.74 -0.39 -0.69 0.20 2.43 -0.83 -0.65 114.38 115.19 1i4y h ARG 49 Ca 0.46 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.66 1i4y h ARG 49 Cb 0.56 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1i4y h ARG 49 CO -0.31 -0.09 0.46 0.00 -1.51 0.00 0.00 179.97 178.52 1i4y h THR 51 N 0.92 1.35 -0.85 0.00 2.02 0.07 -0.14 112.91 116.29 1i4y h THR 51 Ca 0.25 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1i4y h THR 51 Cb -0.09 2.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 1i4y h THR 51 CO -0.06 0.29 0.55 1.23 0.37 0.00 0.00 175.52 177.90 1i4y h GLY 52 N -0.34 1.20 0.82 2.16 0.00 -0.92 0.02 103.07 106.02 1i4y h GLY 52 Ca 0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1i4y h GLY 52 CO 0.01 0.45 -0.01 1.70 0.00 0.00 0.00 176.54 178.69 1i4y h LYS 53 N 1.15 0.38 0.35 4.80 3.11 -1.18 -2.12 116.57 123.06 1i4y h LYS 53 Ca 0.31 -0.13 -0.02 0.00 -2.81 0.00 0.00 60.65 58.00 1i4y h LYS 53 Cb -0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.10 1i4y h LYS 53 CO -0.06 0.59 -0.17 1.25 -2.81 0.00 0.00 179.45 178.25 1i4y h HIS 54 N 0.13 -0.43 -0.65 1.91 2.76 -0.71 -0.70 115.15 117.46 1i4y h HIS 54 Ca 0.06 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.33 1i4y h HIS 54 Cb 0.43 0.14 -0.08 0.00 1.55 0.00 0.00 27.41 29.45 1i4y h HIS 54 CO 0.04 -0.19 0.22 0.74 -1.30 0.00 0.00 177.93 177.43 1i4y h PHE 55 N -0.59 0.37 -0.32 5.26 0.04 -1.04 0.38 116.94 121.03 1i4y h PHE 55 Ca -0.05 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1i4y h PHE 55 Cb 0.43 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1i4y h PHE 55 CO -0.02 0.05 0.11 1.25 -0.60 0.00 0.00 178.31 179.09 1i4y h LEU 56 N 0.37 0.47 -0.52 1.54 5.85 -1.27 0.00 115.31 121.75 1i4y h LEU 56 Ca 0.34 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1i4y h LEU 56 Cb 0.49 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1i4y h LEU 56 CO -0.37 0.54 0.15 0.78 -0.34 0.00 0.00 178.44 179.20 1i4y h ASN 57 N 0.37 0.76 -0.22 1.25 -0.26 -0.24 -0.99 115.58 116.26 1i4y h ASN 57 Ca 0.11 -0.21 -0.09 0.00 -0.56 0.00 0.00 56.30 55.55 1i4y h ASN 57 Cb 0.23 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 1i4y h ASN 57 CO -0.00 0.78 -0.14 -0.08 -1.06 0.00 0.00 177.43 176.92 1i4y h GLU 58 N 0.71 0.62 -0.62 0.81 4.81 -0.17 -1.75 114.58 119.00 1i4y h GLU 58 Ca 0.17 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1i4y h GLU 58 Cb 0.29 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1i4y h GLU 58 CO -0.00 0.74 0.12 1.96 -0.73 0.00 0.00 179.01 181.10 1i4y h GLN 59 N 0.57 1.01 -0.58 1.92 4.20 -0.64 -0.94 115.11 120.65 1i4y h GLN 59 Ca 0.10 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1i4y h GLN 59 Cb 0.57 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1i4y h GLN 59 CO 0.04 0.93 0.30 0.28 -0.67 0.00 0.00 178.83 179.72 1i4y h VAL 60 N 0.92 1.20 -0.22 -0.54 2.07 -0.78 0.40 116.25 119.30 1i4y h VAL 60 Ca 0.19 -0.52 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 1i4y h VAL 60 Cb 0.40 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1i4y h VAL 60 CO 0.01 0.22 -0.36 0.25 0.02 0.00 0.00 177.57 177.70 1i4y h LEU 61 N 0.78 0.49 -0.47 2.57 5.85 -1.12 -0.34 115.31 123.08 1i4y h LEU 61 Ca 0.20 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1i4y h LEU 61 Cb 0.07 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1i4y h LEU 61 CO -0.03 0.82 -0.08 0.24 -0.34 0.00 0.00 178.44 179.04 1i4y h MET 62 N 0.40 0.88 0.00 1.25 2.86 -0.71 -2.86 114.93 116.76 1i4y h MET 62 Ca 0.04 -0.32 -0.08 0.00 -2.06 0.00 0.00 59.70 57.28 1i4y h MET 62 Cb 0.82 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1i4y h MET 62 CO 0.07 0.97 -0.36 1.96 1.06 0.00 0.00 176.91 180.60 1i4y h GLN 63 N 0.73 0.00 -0.13 1.72 4.20 -0.68 0.56 115.11 121.50 1i4y h GLN 63 Ca 0.12 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.87 1i4y h GLN 63 Cb 0.62 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1i4y h GLN 63 CO 0.04 0.36 0.11 0.00 -0.67 0.00 0.00 178.83 178.67 1i4y h ALA 64 N 1.64 1.92 -0.09 3.87 0.00 -0.81 -0.62 119.26 125.17 1i4y h ALA 64 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i4y h ALA 64 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1i4y h ALA 64 CO 0.05 -0.18 0.00 0.43 0.00 0.00 0.00 179.25 179.55 1i4y n SER 65 N -4.17 2.57 -3.89 0.00 7.64 -1.08 -4.99 113.62 109.70 1i4y n SER 65 Ca 0.00 -2.61 -0.27 0.00 1.01 0.00 0.00 58.87 57.00 1i4y n SER 65 Cb 0.23 -0.29 -0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 -0.76 -2.90 -1.69 1.43 6.02 -0.24 -4.77 117.38 114.46 1i4y n GLN 66 Ca 0.11 0.42 -0.59 0.00 -0.01 0.00 0.00 57.00 56.93 1i4y n GLN 66 Cb 0.54 -4.43 -0.08 0.00 1.02 0.00 0.00 30.24 27.29 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 -4.37 1.79 -0.30 1.08 -0.00 0.14 -4.85 117.16 110.65 1i4y n TYR 67 Ca -0.26 0.74 0.10 0.00 -0.00 0.00 0.00 57.90 58.49 1i4y n TYR 67 Cb 0.66 -2.35 0.27 0.00 -0.00 0.00 0.00 39.34 37.92 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 5.94 0.49 -0.91 2.98 4.15 -1.90 -2.40 115.11 123.46 1i4y h GLN 68 Ca -0.46 -0.03 -0.53 0.00 0.77 0.00 0.00 58.65 58.40 1i4y h GLN 68 Cb 1.34 -0.11 -0.28 0.00 0.21 0.00 0.00 27.48 28.64 1i4y h GLN 68 CO 0.91 0.33 0.58 1.19 -1.93 0.00 0.00 178.83 179.91 1i4y n PHE 69 N -4.96 2.88 -0.04 3.99 3.01 -1.26 -4.67 117.46 116.40 1i4y n PHE 69 Ca 0.20 -2.18 -0.10 0.00 1.01 0.00 0.00 57.45 56.38 1i4y n PHE 69 Cb 0.55 -1.02 -0.04 0.00 -0.01 0.00 0.00 39.48 38.97 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 1.33 0.25 -0.39 1.38 5.03 -1.80 -2.40 116.97 120.36 1i4y h TYR 70 Ca 0.57 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.93 1i4y h TYR 70 Cb 2.09 -0.08 -0.05 0.00 1.55 0.00 0.00 36.73 40.25 1i4y h TYR 70 CO 1.46 0.19 0.12 -0.44 -1.32 0.00 0.00 178.16 178.18 1i4y h ASP 71 N 0.23 0.12 -0.26 -2.11 3.32 -1.86 0.21 116.42 116.07 1i4y h ASP 71 Ca 0.07 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1i4y h ASP 71 Cb 0.01 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1i4y h ASP 71 CO -0.01 0.10 -0.25 -0.08 -1.72 0.00 0.00 179.24 177.28 1i4y h GLU 72 N 0.27 0.75 -0.19 3.56 4.81 -1.92 -2.55 114.58 119.30 1i4y h GLU 72 Ca 0.18 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1i4y h GLU 72 Cb 0.18 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1i4y h GLU 72 CO -0.20 0.92 0.09 1.25 -0.73 0.00 0.00 179.01 180.34 1i4y h HIS 73 N 0.65 0.28 -0.72 0.92 2.76 -0.82 -2.77 115.15 115.44 1i4y h HIS 73 Ca 0.09 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1i4y h HIS 73 Cb 0.76 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.59 1i4y h HIS 73 CO 0.04 0.29 0.47 -0.22 -1.30 0.00 0.00 177.93 177.22 1i4y h LYS 74 N 0.18 0.83 -0.19 5.26 3.64 -0.46 -1.32 116.57 124.51 1i4y h LYS 74 Ca 0.07 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1i4y h LYS 74 Cb 0.12 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1i4y h LYS 74 CO -0.01 0.55 -0.21 0.87 -2.27 0.00 0.00 179.45 178.38 1i4y h LYS 75 N 0.86 0.33 -0.13 1.90 1.79 -1.24 -0.86 116.57 119.22 1i4y h LYS 75 Ca 0.29 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.63 1i4y h LYS 75 Cb 0.08 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1i4y h LYS 75 CO -0.08 0.54 -0.00 0.93 -1.08 0.00 0.00 179.45 179.75 1i4y h GLU 76 N 0.30 0.23 -0.79 3.15 4.39 -1.00 -2.37 114.58 118.50 1i4y h GLU 76 Ca 0.05 -0.08 0.11 0.00 0.34 0.00 0.00 59.36 59.78 1i4y h GLU 76 Cb 0.55 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.11 1i4y h GLU 76 CO 0.04 0.48 0.42 0.45 -1.16 0.00 0.00 179.01 179.24 1i4y h HIS 77 N -0.04 0.76 -0.60 4.33 3.86 -0.84 -2.06 115.15 120.56 1i4y h HIS 77 Ca 0.04 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 1i4y h HIS 77 Cb 0.37 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 1i4y h HIS 77 CO 0.04 0.27 0.16 0.93 0.86 0.00 0.00 177.93 180.19 1i4y h GLU 78 N 0.69 0.91 -0.74 2.45 5.08 -1.00 -2.25 114.58 119.72 1i4y h GLU 78 Ca 0.40 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1i4y h GLU 78 Cb 0.43 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1i4y h GLU 78 CO -0.28 0.81 0.22 1.15 -1.00 0.00 0.00 179.01 179.90 1i4y h THR 79 N 0.88 1.26 -0.31 1.13 2.02 -0.84 0.34 112.91 117.39 1i4y h THR 79 Ca 0.19 -0.93 -0.09 0.00 0.77 0.00 0.00 66.41 66.35 1i4y h THR 79 Cb 0.29 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1i4y h THR 79 CO -0.00 0.36 -0.16 0.15 0.37 0.00 0.00 175.52 176.25 1i4y h PHE 80 N 1.11 0.76 -0.59 3.16 3.57 -1.33 -1.65 116.94 121.97 1i4y h PHE 80 Ca 0.24 -0.19 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1i4y h PHE 80 Cb 0.32 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1i4y h PHE 80 CO 0.03 0.88 0.37 0.82 -2.23 0.00 0.00 178.31 178.18 1i4y h ILE 81 N 0.42 1.10 -0.91 1.41 1.08 -1.26 -0.60 117.51 118.76 1i4y h ILE 81 Ca 0.07 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1i4y h ILE 81 Cb 0.68 0.29 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 1i4y h ILE 81 CO 0.05 0.14 0.56 -0.74 -0.69 0.00 0.00 178.15 177.46 1i4y h HIS 82 N 0.75 1.18 -0.57 1.37 2.76 -0.80 -0.01 115.15 119.82 1i4y h HIS 82 Ca 0.23 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.31 1i4y h HIS 82 Cb -0.02 -0.39 -0.02 0.00 1.55 0.00 0.00 27.41 28.53 1i4y h HIS 82 CO -0.05 0.78 -0.00 0.00 -1.30 0.00 0.00 177.93 177.36 1i4y h ALA 83 N 1.37 0.91 -0.02 5.26 0.00 -0.48 -1.71 119.26 124.58 1i4y h ALA 83 Ca 0.33 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1i4y h ALA 83 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1i4y h ALA 83 CO -0.06 0.65 -0.56 -0.07 0.00 0.00 0.00 179.25 179.21 1i4y h LEU 84 N 0.92 0.08 -0.06 0.00 3.38 -0.50 -1.95 115.31 117.16 1i4y h LEU 84 Ca 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1i4y h LEU 84 Cb 0.54 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1i4y h LEU 84 CO 0.03 0.62 -0.16 0.47 0.09 0.00 0.00 178.44 179.48 1i4y n ASP 85 N -3.89 0.26 -2.63 -0.43 10.43 -0.07 -3.51 116.55 116.71 1i4y n ASP 85 Ca -0.02 -0.03 -0.11 0.00 2.57 0.00 0.00 54.79 57.20 1i4y n ASP 85 Cb 0.57 -0.17 0.03 0.00 1.84 0.00 0.00 41.12 43.39 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 -1.34 2.20 -4.67 -2.24 3.02 -0.66 -5.07 115.26 106.51 1i4y n ASN 86 Ca 0.09 -2.83 -0.42 0.00 -0.03 0.00 0.00 54.58 51.39 1i4y n ASN 86 Cb 0.32 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1i4y n ASN 86 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1i4y n TRP 87 N -0.25 2.53 -0.19 3.10 -0.00 -0.75 -4.86 117.44 117.03 1i4y n TRP 87 Ca 0.16 -0.33 0.05 0.00 -0.00 0.00 0.00 57.50 57.38 1i4y n TRP 87 Cb 0.79 -2.79 0.14 0.00 -0.00 0.00 0.00 31.31 29.46 1i4y n TRP 87 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1i4y n LYS 88 N 7.16 2.88 -0.94 5.87 -0.00 -1.26 -5.00 118.16 126.88 1i4y n LYS 88 Ca 0.20 -2.03 0.00 0.00 -0.00 0.00 0.00 58.31 56.48 1i4y n LYS 88 Cb 0.40 -1.26 0.00 0.00 -0.00 0.00 0.00 35.03 34.16 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 0.41 0.47 3.51 2.58 0.00 -1.26 -4.98 105.19 105.91 1i4y n GLY 89 Ca 0.11 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.54 6.78 0.25 1.61 3.68 -1.26 -4.77 116.67 120.42 1i4y s ASP 90 Ca 0.00 -2.29 0.04 0.00 2.13 0.00 0.00 52.55 52.43 1i4y s ASP 90 Cb 0.00 -2.48 0.29 0.00 -1.45 0.00 0.00 42.92 39.28 1i4y s ASP 90 CO 0.00 -1.09 1.59 1.62 0.13 0.00 0.00 175.17 177.42 1i4y h VAL 91 N 5.63 1.36 -0.71 1.11 3.04 -1.95 -2.82 116.25 121.92 1i4y h VAL 91 Ca 0.28 -1.84 -0.05 0.00 -1.01 0.00 0.00 66.70 64.09 1i4y h VAL 91 Cb 0.94 1.89 -0.03 0.00 -2.01 0.00 0.00 31.29 32.08 1i4y h VAL 91 CO 1.30 0.55 0.26 0.11 -1.01 0.00 0.00 177.57 178.78 1i4y h LYS 92 N 0.21 1.07 0.05 4.17 1.57 -2.00 -0.22 116.57 121.43 1i4y h LYS 92 Ca 0.00 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1i4y h LYS 92 Cb 1.03 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1i4y h LYS 92 CO 0.09 0.90 -0.02 2.35 -0.57 0.00 0.00 179.45 182.19 1i4y h TRP 93 N 1.02 -0.06 -0.76 -1.35 7.01 -1.94 -1.88 115.95 118.00 1i4y h TRP 93 Ca 0.23 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.29 1i4y h TRP 93 Cb 0.24 0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.27 1i4y h TRP 93 CO 0.02 0.06 0.45 0.00 -2.79 0.00 0.00 178.44 176.18 1i4y h ALA 94 N 0.79 1.02 -0.12 2.65 0.00 -1.28 0.41 119.26 122.73 1i4y h ALA 94 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1i4y h ALA 94 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1i4y h ALA 94 CO 0.01 0.17 0.00 0.87 0.00 0.00 0.00 179.25 180.30 1i4y h LYS 95 N 0.83 0.05 0.00 0.00 1.57 -0.84 -1.63 116.57 116.55 1i4y h LYS 95 Ca 0.33 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.00 1i4y h LYS 95 Cb 0.16 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1i4y h LYS 95 CO -0.17 0.03 -0.53 0.66 -0.57 0.00 0.00 179.45 178.87 1i4y h SER 96 N 0.05 0.00 -0.01 0.86 4.64 -0.69 -2.74 113.55 115.66 1i4y h SER 96 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1i4y h SER 96 Cb 0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1i4y h SER 96 CO -0.09 0.53 0.00 -0.25 -0.87 0.00 0.00 176.83 176.15 1i4y h TRP 97 N 0.00 0.01 -0.62 4.77 7.01 0.20 -1.80 115.95 125.52 1i4y h TRP 97 Ca -0.01 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 1i4y h TRP 97 Cb 0.96 -0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.99 1i4y h TRP 97 CO 0.00 0.24 0.26 1.25 -2.79 0.00 0.00 178.44 177.41 1i4y h LEU 98 N -0.22 0.84 -0.01 0.65 5.85 -1.30 0.13 115.31 121.26 1i4y h LEU 98 Ca 0.00 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1i4y h LEU 98 Cb 0.24 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1i4y h LEU 98 CO 0.00 0.77 -0.03 0.58 -0.34 0.00 0.00 178.44 179.42 1i4y h VAL 99 N 0.86 0.91 -0.28 1.05 2.07 -1.43 -2.04 116.25 117.39 1i4y h VAL 99 Ca 0.21 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.59 1i4y h VAL 99 Cb 0.18 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1i4y h VAL 99 CO -0.02 0.00 -0.39 0.78 0.02 0.00 0.00 177.57 177.96 1i4y h ASN 100 N -0.06 0.68 -0.36 0.57 4.21 -1.18 -2.27 115.58 117.17 1i4y h ASN 100 Ca 0.02 -0.30 -0.01 0.00 1.21 0.00 0.00 56.30 57.22 1i4y h ASN 100 Cb 0.08 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.07 1i4y h ASN 100 CO -0.04 0.99 0.19 -0.74 -1.29 0.00 0.00 177.43 176.54 1i4y h HIS 101 N 0.53 0.49 0.17 1.19 2.76 -0.63 -0.27 115.15 119.39 1i4y h HIS 101 Ca 0.05 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1i4y h HIS 101 Cb 0.90 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.71 1i4y h HIS 101 CO 0.04 0.39 -0.08 0.82 -1.30 0.00 0.00 177.93 177.80 1i4y h ILE 102 N 0.45 0.95 0.00 6.26 2.04 -1.29 0.71 117.51 126.62 1i4y h ILE 102 Ca 0.12 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1i4y h ILE 102 Cb 0.07 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1i4y h ILE 102 CO -0.02 0.13 -0.11 0.11 0.00 0.00 0.00 178.15 178.27 1i4y h LYS 103 N -0.51 0.00 0.00 2.37 1.57 -1.37 -1.51 116.57 117.12 1i4y h LYS 103 Ca -0.02 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1i4y h LYS 103 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1i4y h LYS 103 CO 0.04 0.11 -1.62 0.25 -0.57 0.00 0.00 179.45 177.66 1i4y n THR 104 N -3.24 0.62 -0.12 -0.16 -2.24 -0.12 -4.48 114.28 104.55 1i4y n THR 104 Ca 0.01 -0.29 -0.26 0.00 -2.27 0.00 0.00 64.05 61.24 1i4y n THR 104 Cb 0.37 -0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.62 1.54 -0.03 2.28 2.08 -0.04 -4.23 119.36 118.35 1i4y n ILE 105 Ca -0.17 -0.34 -0.06 0.00 0.56 0.00 0.00 62.75 62.74 1i4y n ILE 105 Cb 0.74 -1.85 0.14 0.00 -0.75 0.00 0.00 39.64 37.92 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 -0.79 0.61 0.21 4.38 3.32 -0.79 -2.66 116.42 120.70 1i4y h ASP 106 Ca -0.58 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.24 1i4y h ASP 106 Cb 1.60 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.98 1i4y h ASP 106 CO -0.29 0.86 -0.05 -0.26 -1.72 0.00 0.00 179.24 177.78 1i4y h PHE 107 N 0.52 0.00 0.00 4.55 0.05 -1.50 -2.40 116.94 118.16 1i4y h PHE 107 Ca 0.07 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.85 1i4y h PHE 107 Cb 0.74 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.69 1i4y h PHE 107 CO 0.03 0.05 -0.05 0.87 -0.18 0.00 0.00 178.31 179.03 1i4y h LYS 108 N 0.00 0.00 -0.05 1.51 1.57 -1.64 -1.73 116.57 116.23 1i4y h LYS 108 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1i4y h LYS 108 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1i4y h LYS 108 CO 0.01 0.05 0.00 2.48 -0.57 0.00 0.00 179.45 181.42 1i4y n TYR 109 N -4.09 0.05 -1.68 -1.35 0.18 -0.90 -4.86 117.16 104.51 1i4y n TYR 109 Ca -0.03 -0.03 -0.46 0.00 1.88 0.00 0.00 57.90 59.27 1i4y n TYR 109 Cb 0.14 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.06 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 -0.03 2.45 -0.97 -3.48 5.02 -0.65 -0.36 118.16 120.13 1i4y n LYS 110 Ca 0.19 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 1i4y n LYS 110 Cb 0.29 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.53 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 4.31 0.59 0.02 0.72 0.00 -1.26 -4.86 105.19 104.71 1i4y n GLY 111 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.28 4.29 0.00 1.61 5.02 0.51 -5.26 118.16 122.05 1i4y n LYS 112 Ca 0.00 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1i4y n LYS 112 Cb 0.04 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1i4y n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32