#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4z s PHE 2 N 0.00 3.72 0.42 1.61 0.08 -1.26 -5.03 117.98 117.52 1i4z s PHE 2 Ca 0.00 1.76 -0.24 0.00 0.12 0.00 0.00 56.93 58.57 1i4z s PHE 2 Cb 0.00 -2.90 -0.08 0.00 -0.57 0.00 0.00 43.02 39.47 1i4z s PHE 2 CO 0.00 0.25 1.18 -1.25 -0.10 0.00 0.00 175.22 175.30 1i4z s PRO 3 N -1.94 3.95 -0.11 0.24 0.04 -1.26 -4.97 135.00 130.94 1i4z s PRO 3 Ca 0.48 1.84 -0.22 0.00 0.04 0.00 0.00 61.00 63.14 1i4z s PRO 3 Cb -0.19 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 1i4z s PRO 3 CO 0.24 -0.41 0.65 0.42 0.04 0.00 0.00 177.00 177.94 1i4z s ILE 4 N -1.45 5.06 0.95 0.56 -1.09 -1.26 -5.05 121.20 118.93 1i4z s ILE 4 Ca 0.59 1.30 -0.11 0.00 -2.23 0.00 0.00 60.65 60.21 1i4z s ILE 4 Cb -0.30 -3.98 0.17 0.00 -1.58 0.00 0.00 42.46 36.76 1i4z s ILE 4 CO 0.38 0.23 1.12 -2.84 -1.23 0.00 0.00 174.94 172.59 1i4z s PRO 5 N 1.06 0.74 -0.29 2.79 0.02 -1.26 -5.02 135.00 133.05 1i4z s PRO 5 Ca 0.33 1.35 0.02 0.00 0.02 0.00 0.00 61.00 62.73 1i4z s PRO 5 Cb -0.17 -1.71 0.18 0.00 0.02 0.00 0.00 34.50 32.83 1i4z s PRO 5 CO 0.15 -2.75 0.54 0.34 -0.33 0.00 0.00 177.00 174.94 1i4z s ASP 6 N -2.73 -1.01 0.87 2.53 -1.08 -1.26 -3.76 116.67 110.23 1i4z s ASP 6 Ca 0.66 0.32 -0.11 0.00 -0.52 0.00 0.00 52.55 52.90 1i4z s ASP 6 Cb -0.23 1.82 0.12 0.00 -1.46 0.00 0.00 42.92 43.18 1i4z s ASP 6 CO 0.59 -0.30 1.17 -2.16 0.52 0.00 0.00 175.17 175.00 1i4z s PRO 7 N 2.76 1.25 -1.08 4.34 0.04 -1.26 -5.03 135.00 136.02 1i4z s PRO 7 Ca 0.14 1.65 -0.23 0.00 0.04 0.00 0.00 61.00 62.60 1i4z s PRO 7 Cb -0.13 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1i4z s PRO 7 CO -0.24 -2.48 1.82 -0.47 0.04 0.00 0.00 177.00 175.67 1i4z s TYR 8 N -2.44 2.15 0.07 0.56 6.14 -1.25 -4.87 117.35 117.72 1i4z s TYR 8 Ca 0.70 -0.08 0.04 0.00 0.64 0.00 0.00 57.07 58.36 1i4z s TYR 8 Cb -0.25 -4.27 -0.03 0.00 0.42 0.00 0.00 41.96 37.82 1i4z s TYR 8 CO 0.55 -1.61 -0.11 0.08 0.64 0.00 0.00 175.55 175.09 1i4z s VAL 9 N 8.45 0.93 0.40 3.14 1.01 -1.26 -4.55 120.40 128.52 1i4z s VAL 9 Ca 0.62 -1.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 1i4z s VAL 9 Cb -0.02 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.23 1i4z s VAL 9 CO 0.04 -0.36 1.15 0.86 0.00 0.00 0.00 175.10 176.78 1i4z s TRP 10 N -1.64 3.09 0.09 5.22 -0.00 -1.26 -4.83 118.94 119.61 1i4z s TRP 10 Ca -0.02 1.57 0.02 0.00 -0.00 0.00 0.00 56.10 57.67 1i4z s TRP 10 Cb -0.08 -3.35 -0.04 0.00 -0.00 0.00 0.00 33.47 30.00 1i4z s TRP 10 CO 0.01 -1.22 -0.07 0.16 -0.00 0.00 0.00 176.95 175.83 1i4z s ASP 11 N -1.21 1.11 0.55 5.86 1.47 -1.26 -5.04 116.67 118.15 1i4z s ASP 11 Ca 0.57 -0.93 0.47 0.00 1.18 0.00 0.00 52.55 53.85 1i4z s ASP 11 Cb -0.29 0.08 1.70 0.00 -0.34 0.00 0.00 42.92 44.07 1i4z s ASP 11 CO 0.37 -0.42 1.63 -0.65 0.68 0.00 0.00 175.17 176.78 1i4z h PRO 12 N 3.22 0.00 0.00 2.11 0.11 -2.02 0.76 132.00 136.19 1i4z h PRO 12 Ca -0.35 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1i4z h PRO 12 Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1i4z h PRO 12 CO 0.61 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 1i4z n SER 13 N -4.01 0.63 -0.66 -2.05 3.41 -1.26 -1.75 113.62 107.93 1i4z n SER 13 Ca 0.40 0.73 0.10 0.00 -0.26 0.00 0.00 58.87 59.85 1i4z n SER 13 Cb 1.84 -0.84 0.33 0.00 -0.26 0.00 0.00 64.21 65.29 1i4z n SER 13 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1i4z n PHE 14 N -2.28 0.27 -1.71 7.33 3.01 0.26 -4.98 117.46 119.37 1i4z n PHE 14 Ca -0.00 -0.14 -0.43 0.00 1.01 0.00 0.00 57.45 57.89 1i4z n PHE 14 Cb 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 1i4z n PHE 14 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1i4z n ARG 15 N 0.54 2.46 -0.00 -1.08 1.74 -0.72 -4.89 116.66 114.71 1i4z n ARG 15 Ca 0.16 0.88 0.09 0.00 -0.77 0.00 0.00 57.85 58.21 1i4z n ARG 15 Cb 0.38 -2.65 -0.12 0.00 -1.02 0.00 0.00 32.46 29.05 1i4z n ARG 15 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1i4z n THR 16 N 2.76 0.00 -1.20 0.55 -2.24 -1.26 -4.97 114.28 107.92 1i4z n THR 16 Ca 0.13 -0.16 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 1i4z n THR 16 Cb 0.33 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 1i4z n THR 16 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1i4z n PHE 17 N -1.63 0.00 -3.80 4.78 3.72 -1.26 -4.81 117.46 114.46 1i4z n PHE 17 Ca 0.02 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.05 1i4z n PHE 17 Cb 0.34 -1.59 -0.12 0.00 -0.94 0.00 0.00 39.48 37.17 1i4z n PHE 17 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1i4z s TYR 18 N -2.14 3.35 0.13 1.38 2.02 -1.26 -5.03 117.35 115.80 1i4z s TYR 18 Ca 0.00 -1.84 -0.30 0.00 -0.37 0.00 0.00 57.07 54.56 1i4z s TYR 18 Cb 0.00 -2.51 -0.06 0.00 -0.40 0.00 0.00 41.96 38.99 1i4z s TYR 18 CO 0.00 -0.83 1.58 0.77 -1.57 0.00 0.00 175.55 175.50 1i4z h SER 19 N 8.11 -1.40 -0.46 2.29 0.02 -1.98 -0.16 113.55 119.96 1i4z h SER 19 Ca -0.20 0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1i4z h SER 19 Cb 1.07 0.57 -0.03 0.00 0.14 0.00 0.00 62.40 64.15 1i4z h SER 19 CO 0.61 -0.43 0.29 0.40 -1.14 0.00 0.00 176.83 176.56 1i4z h ILE 20 N -0.49 1.08 -0.76 3.27 1.08 -1.97 0.32 117.51 120.04 1i4z h ILE 20 Ca 0.08 -0.20 0.03 0.00 -0.39 0.00 0.00 64.86 64.37 1i4z h ILE 20 Cb 0.63 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 34.78 1i4z h ILE 20 CO -0.43 0.11 0.49 0.40 -0.69 0.00 0.00 178.15 178.03 1i4z h ILE 21 N 0.59 1.13 -0.18 -0.67 2.04 -1.95 0.28 117.51 118.75 1i4z h ILE 21 Ca 0.18 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 1i4z h ILE 21 Cb -0.02 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1i4z h ILE 21 CO -0.06 0.18 -0.37 0.44 0.00 0.00 0.00 178.15 178.33 1i4z h ASP 22 N 0.97 0.41 0.60 1.72 3.32 -0.63 -0.69 116.42 122.12 1i4z h ASP 22 Ca 0.30 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1i4z h ASP 22 Cb -0.02 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1i4z h ASP 22 CO -0.10 0.76 -0.25 0.44 -1.72 0.00 0.00 179.24 178.37 1i4z h ASP 23 N 0.34 0.00 0.37 6.45 3.45 0.11 -1.65 116.42 125.48 1i4z h ASP 23 Ca 0.04 0.00 -0.32 0.00 0.43 0.00 0.00 57.03 57.17 1i4z h ASP 23 Cb 0.81 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.59 1i4z h ASP 23 CO 0.07 0.25 -1.54 -0.33 -1.57 0.00 0.00 179.24 176.12 1i4z h GLU 24 N 0.00 0.35 -0.68 3.56 5.08 -0.00 -3.29 114.58 119.59 1i4z h GLU 24 Ca -0.00 -0.60 -0.04 0.00 -1.00 0.00 0.00 59.36 57.72 1i4z h GLU 24 Cb 0.62 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1i4z h GLU 24 CO 0.03 1.25 0.28 0.45 -1.00 0.00 0.00 179.01 180.02 1i4z h HIS 25 N 0.10 1.01 -1.01 4.33 3.86 -0.80 -2.25 115.15 120.38 1i4z h HIS 25 Ca -0.26 -0.06 0.05 0.00 -1.16 0.00 0.00 60.37 58.94 1i4z h HIS 25 Cb 2.07 -0.31 -0.06 0.00 1.06 0.00 0.00 27.41 30.17 1i4z h HIS 25 CO 0.09 0.77 0.66 0.87 0.86 0.00 0.00 177.93 181.17 1i4z h LYS 26 N 0.98 1.20 -0.11 2.45 1.57 -1.41 -2.15 116.57 119.10 1i4z h LYS 26 Ca 0.23 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 58.71 1i4z h LYS 26 Cb 0.18 -0.27 0.01 0.00 0.08 0.00 0.00 32.23 32.23 1i4z h LYS 26 CO -0.02 0.79 -0.84 1.79 -0.57 0.00 0.00 179.45 180.60 1i4z h THR 27 N 1.24 1.29 -0.84 -0.16 1.35 -1.56 -3.19 112.91 111.03 1i4z h THR 27 Ca 0.42 -2.06 0.01 0.00 -0.55 0.00 0.00 66.41 64.22 1i4z h THR 27 Cb 0.07 2.09 -0.04 0.00 -1.73 0.00 0.00 68.15 68.54 1i4z h THR 27 CO -0.15 0.65 0.56 -0.07 -0.25 0.00 0.00 175.52 176.26 1i4z h LEU 28 N 0.48 0.97 -0.76 3.87 3.38 -1.09 -2.09 115.31 120.07 1i4z h LEU 28 Ca -0.07 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1i4z h LEU 28 Cb 1.48 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 1i4z h LEU 28 CO 0.17 0.70 0.47 -0.26 0.09 0.00 0.00 178.44 179.61 1i4z h PHE 29 N 1.14 0.86 -0.53 1.13 -1.00 -1.44 -1.17 116.94 115.93 1i4z h PHE 29 Ca 0.31 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 61.08 1i4z h PHE 29 Cb -0.13 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.13 1i4z h PHE 29 CO -0.01 0.45 0.20 -0.97 -1.61 0.00 0.00 178.31 176.37 1i4z h ASN 30 N 0.87 0.71 -0.37 2.17 -1.24 -1.42 -0.77 115.58 115.52 1i4z h ASN 30 Ca 0.33 -0.09 -0.05 0.00 0.71 0.00 0.00 56.30 57.19 1i4z h ASN 30 Cb 0.12 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 1i4z h ASN 30 CO -0.15 0.65 0.07 1.23 -1.29 0.00 0.00 177.43 177.93 1i4z h GLY 31 N 0.91 0.75 1.27 1.57 0.00 -0.56 -2.77 103.07 104.24 1i4z h GLY 31 Ca 0.18 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 1i4z h GLY 31 CO -0.01 0.41 -1.08 1.19 0.00 0.00 0.00 176.54 177.05 1i4z h ILE 32 N 0.67 0.48 -0.00 2.60 6.09 -1.18 -3.19 117.51 122.98 1i4z h ILE 32 Ca 0.15 -1.84 0.02 0.00 -1.37 0.00 0.00 64.86 61.81 1i4z h ILE 32 Cb 0.31 2.03 -0.02 0.00 0.47 0.00 0.00 36.82 39.61 1i4z h ILE 32 CO 0.00 0.27 -0.10 0.15 -3.07 0.00 0.00 178.15 175.41 1i4z h PHE 33 N 0.00 -0.24 -0.34 2.19 3.57 -0.88 -0.80 116.94 120.43 1i4z h PHE 33 Ca -0.09 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.26 1i4z h PHE 33 Cb 1.42 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 1i4z h PHE 33 CO 0.00 -0.15 -0.41 0.45 -2.23 0.00 0.00 178.31 175.98 1i4z h HIS 34 N -0.17 0.99 0.00 0.41 3.86 -1.64 -2.88 115.15 115.72 1i4z h HIS 34 Ca 0.04 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 58.94 1i4z h HIS 34 Cb 0.21 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1i4z h HIS 34 CO -0.16 1.09 -0.05 1.25 0.86 0.00 0.00 177.93 180.92 1i4z h LEU 35 N 0.67 0.00 0.02 2.43 7.12 -1.48 0.40 115.31 124.48 1i4z h LEU 35 Ca 0.05 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 1i4z h LEU 35 Cb 0.98 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.11 1i4z h LEU 35 CO 0.09 0.05 -0.01 0.00 -0.13 0.00 0.00 178.44 178.44 1i4z h ALA 36 N 1.95 -0.03 0.34 1.25 0.00 -0.97 -2.68 119.26 119.12 1i4z h ALA 36 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1i4z h ALA 36 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1i4z h ALA 36 CO 0.01 -0.18 -0.32 0.82 0.00 0.00 0.00 179.25 179.57 1i4z h ILE 37 N -0.71 0.33 -3.07 0.00 2.04 -1.16 -3.39 117.51 111.54 1i4z h ILE 37 Ca -0.00 0.00 -0.56 0.00 1.00 0.00 0.00 64.86 65.30 1i4z h ILE 37 Cb 0.66 0.33 -0.40 0.00 -0.74 0.00 0.00 36.82 36.66 1i4z h ILE 37 CO 0.01 0.00 -0.76 -0.62 0.00 0.00 0.00 178.15 176.77 1i4z s ASP 38 N -4.62 3.70 0.00 1.72 2.15 0.13 -5.03 116.67 114.72 1i4z s ASP 38 Ca -0.17 -1.40 0.00 0.00 0.43 0.00 0.00 52.55 51.42 1i4z s ASP 38 Cb 0.06 -0.67 0.00 0.00 -0.30 0.00 0.00 42.92 42.00 1i4z s ASP 38 CO 0.63 -0.40 0.32 -0.67 -0.17 0.00 0.00 175.17 174.89 1i4z n ASP 39 N 4.99 0.97 -4.79 -0.34 4.64 -1.01 -4.37 116.55 116.64 1i4z n ASP 39 Ca -0.04 -0.66 -0.30 0.00 -1.38 0.00 0.00 54.79 52.41 1i4z n ASP 39 Cb 0.43 -0.16 0.09 0.00 -1.04 0.00 0.00 41.12 40.44 1i4z n ASP 39 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1i4z s ASN 40 N 1.05 4.46 0.47 1.67 6.03 -1.26 -4.85 114.94 122.50 1i4z s ASN 40 Ca 0.00 1.43 0.17 0.00 -1.03 0.00 0.00 52.86 53.43 1i4z s ASN 40 Cb 0.00 -2.17 1.16 0.00 -3.03 0.00 0.00 41.25 37.21 1i4z s ASN 40 CO 0.00 -2.01 2.01 0.00 -2.03 0.00 0.00 177.10 175.07 1i4z h ALA 41 N -1.11 2.15 -0.02 3.54 0.00 -1.99 -1.87 119.26 119.95 1i4z h ALA 41 Ca -0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1i4z h ALA 41 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1i4z h ALA 41 CO 0.57 -0.27 -0.08 -0.44 0.00 0.00 0.00 179.25 179.03 1i4z h ASP 42 N 0.24 0.11 -0.84 0.00 5.19 -1.95 -2.83 116.42 116.35 1i4z h ASP 42 Ca 0.23 -0.63 -0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1i4z h ASP 42 Cb 0.60 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.03 1i4z h ASP 42 CO -0.05 0.72 0.52 0.78 -3.12 0.00 0.00 179.24 178.10 1i4z h ASN 43 N -0.49 1.00 -0.41 6.45 2.35 -1.75 -1.36 115.58 121.36 1i4z h ASN 43 Ca -0.00 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1i4z h ASN 43 Cb 0.72 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1i4z h ASN 43 CO 0.02 0.76 0.21 0.25 -1.65 0.00 0.00 177.43 177.02 1i4z h LEU 44 N 1.16 0.55 -0.03 1.61 5.85 -1.39 -2.01 115.31 121.04 1i4z h LEU 44 Ca 0.30 -0.05 -0.26 0.00 0.84 0.00 0.00 57.88 58.72 1i4z h LEU 44 Cb -0.07 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 40.83 1i4z h LEU 44 CO -0.06 0.48 -1.07 1.23 -0.34 0.00 0.00 178.44 178.68 1i4z h GLY 45 N 0.73 0.59 1.04 3.75 0.00 -1.02 -0.40 103.07 107.75 1i4z h GLY 45 Ca 0.16 -1.11 -0.04 0.00 0.00 0.00 0.00 47.33 46.34 1i4z h GLY 45 CO -0.02 0.98 0.36 -2.09 0.00 0.00 0.00 176.54 175.77 1i4z h GLU 46 N 0.27 1.18 -0.15 4.80 4.57 -1.01 0.80 114.58 125.04 1i4z h GLU 46 Ca -0.12 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 57.81 1i4z h GLU 46 Cb 1.72 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 30.11 1i4z h GLU 46 CO 0.20 0.93 -0.12 1.25 -1.18 0.00 0.00 179.01 180.08 1i4z h LEU 47 N 1.16 0.37 -1.69 1.64 5.85 -1.39 -2.61 115.31 118.64 1i4z h LEU 47 Ca 0.27 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1i4z h LEU 47 Cb 0.16 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1i4z h LEU 47 CO -0.03 0.75 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.69 1i4z h ARG 48 N -0.01 0.14 0.12 1.25 9.65 -0.80 0.32 114.38 125.06 1i4z h ARG 48 Ca 0.03 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1i4z h ARG 48 Cb 0.64 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1i4z h ARG 48 CO 0.03 0.20 -0.06 -0.09 2.80 0.00 0.00 179.97 182.85 1i4z h ARG 49 N 0.14 -0.15 -0.85 0.20 2.43 -0.83 -2.51 114.38 112.81 1i4z h ARG 49 Ca 0.03 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1i4z h ARG 49 Cb 0.17 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 1i4z h ARG 49 CO 0.01 0.34 0.54 0.00 -1.51 0.00 0.00 179.97 179.34 1i4z h THR 51 N 1.02 1.25 -0.22 0.00 2.02 -0.45 -0.61 112.91 115.92 1i4z h THR 51 Ca 0.35 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.70 1i4z h THR 51 Cb 0.08 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1i4z h THR 51 CO -0.14 0.31 -0.18 1.23 0.37 0.00 0.00 175.52 177.11 1i4z h GLY 52 N 1.13 0.55 0.61 2.16 0.00 -0.68 -1.75 103.07 105.09 1i4z h GLY 52 Ca 0.25 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1i4z h GLY 52 CO -0.02 0.49 -0.30 1.70 0.00 0.00 0.00 176.54 178.41 1i4z h LYS 53 N 0.20 -0.80 -0.44 4.80 3.64 -0.67 -2.61 116.57 120.69 1i4z h LYS 53 Ca 0.04 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.56 1i4z h LYS 53 Cb 0.72 0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 32.62 1i4z h LYS 53 CO 0.05 -0.53 -0.30 1.25 -2.27 0.00 0.00 179.45 177.65 1i4z h HIS 54 N -0.83 -0.81 -0.89 1.91 2.76 -1.19 0.55 115.15 116.65 1i4z h HIS 54 Ca -0.08 0.06 0.16 0.00 -2.20 0.00 0.00 60.37 58.31 1i4z h HIS 54 Cb 0.64 0.42 -0.07 0.00 1.55 0.00 0.00 27.41 29.95 1i4z h HIS 54 CO 0.07 -0.36 0.58 0.74 -1.30 0.00 0.00 177.93 177.66 1i4z h PHE 55 N -0.21 0.73 -0.01 5.26 -1.00 -1.35 0.69 116.94 121.04 1i4z h PHE 55 Ca 0.19 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.94 1i4z h PHE 55 Cb 0.52 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1i4z h PHE 55 CO -0.53 0.24 -0.20 1.25 -1.61 0.00 0.00 178.31 177.46 1i4z h LEU 56 N 0.59 0.20 -0.23 1.54 5.85 -0.58 -1.39 115.31 121.29 1i4z h LEU 56 Ca 0.46 -0.73 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1i4z h LEU 56 Cb 0.88 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1i4z h LEU 56 CO -0.20 0.90 -0.09 0.78 -0.34 0.00 0.00 178.44 179.49 1i4z h ASN 57 N -0.48 -0.31 -0.18 1.25 -0.26 -0.48 0.19 115.58 115.30 1i4z h ASN 57 Ca -0.02 0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1i4z h ASN 57 Cb 0.92 0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 38.35 1i4z h ASN 57 CO 0.04 -0.12 0.09 -0.08 -1.06 0.00 0.00 177.43 176.31 1i4z h GLU 58 N -0.05 0.26 -0.02 0.81 4.81 -0.95 -0.04 114.58 119.41 1i4z h GLU 58 Ca 0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1i4z h GLU 58 Cb 0.23 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1i4z h GLU 58 CO -0.27 0.28 0.01 1.96 -0.73 0.00 0.00 179.01 180.26 1i4z h GLN 59 N 0.18 0.00 -0.22 1.92 4.20 -0.77 0.57 115.11 120.99 1i4z h GLN 59 Ca 0.06 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.59 1i4z h GLN 59 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1i4z h GLN 59 CO -0.01 0.00 -0.61 0.28 -0.67 0.00 0.00 178.83 177.82 1i4z h VAL 60 N 0.00 1.29 -0.44 -0.54 2.07 0.22 -0.29 116.25 118.57 1i4z h VAL 60 Ca 0.01 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 65.65 1i4z h VAL 60 Cb 0.03 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1i4z h VAL 60 CO -0.00 0.58 0.07 0.25 0.02 0.00 0.00 177.57 178.49 1i4z h LEU 61 N 0.56 0.69 -1.04 2.57 7.12 0.09 -0.99 115.31 124.31 1i4z h LEU 61 Ca -0.00 -0.26 -0.07 0.00 0.13 0.00 0.00 57.88 57.67 1i4z h LEU 61 Cb 1.20 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 41.13 1i4z h LEU 61 CO 0.13 0.78 -0.12 0.24 -0.13 0.00 0.00 178.44 179.34 1i4z h MET 62 N 0.58 0.55 -0.03 1.25 2.86 -0.84 -2.57 114.93 116.74 1i4z h MET 62 Ca 0.13 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1i4z h MET 62 Cb 0.38 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1i4z h MET 62 CO 0.01 0.66 -0.51 1.96 1.06 0.00 0.00 176.91 180.09 1i4z h GLN 63 N 0.51 0.07 -0.46 1.72 4.20 -0.70 0.52 115.11 120.97 1i4z h GLN 63 Ca 0.09 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1i4z h GLN 63 Cb 0.50 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1i4z h GLN 63 CO 0.03 0.56 0.28 0.00 -0.67 0.00 0.00 178.83 179.03 1i4z h ALA 64 N 1.43 0.58 -0.61 3.87 0.00 -0.76 -1.94 119.26 121.84 1i4z h ALA 64 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i4z h ALA 64 Cb 0.92 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1i4z h ALA 64 CO 0.07 -0.02 0.00 0.43 0.00 0.00 0.00 179.25 179.73 1i4z n SER 65 N -4.81 4.85 -3.90 0.00 7.64 -1.22 -4.96 113.62 111.22 1i4z n SER 65 Ca 0.02 -2.56 -0.25 0.00 1.01 0.00 0.00 58.87 57.10 1i4z n SER 65 Cb 0.05 -0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 62.66 1i4z n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i4z n GLN 66 N 0.92 -3.71 -1.48 1.43 6.02 -0.73 -4.80 117.38 115.04 1i4z n GLN 66 Ca 0.26 0.46 -0.57 0.00 -0.01 0.00 0.00 57.00 57.13 1i4z n GLN 66 Cb 0.94 -4.71 -0.07 0.00 1.02 0.00 0.00 30.24 27.41 1i4z n GLN 66 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1i4z n TYR 67 N -4.38 0.54 -0.26 1.08 -0.00 0.18 -4.84 117.16 109.48 1i4z n TYR 67 Ca -0.29 1.04 -0.04 0.00 -0.00 0.00 0.00 57.90 58.61 1i4z n TYR 67 Cb 0.68 -2.06 0.13 0.00 -0.00 0.00 0.00 39.34 38.08 1i4z n TYR 67 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.86 177.23 1i4z h GLN 68 N 2.80 1.10 -0.96 2.98 4.15 -1.89 -3.08 115.11 120.21 1i4z h GLN 68 Ca -0.49 -0.17 -0.56 0.00 0.77 0.00 0.00 58.65 58.21 1i4z h GLN 68 Cb 1.42 -0.20 -0.29 0.00 0.21 0.00 0.00 27.48 28.62 1i4z h GLN 68 CO 0.64 0.86 0.66 1.19 -1.93 0.00 0.00 178.83 180.26 1i4z n PHE 69 N -4.31 3.02 0.10 3.99 3.01 -1.26 -4.63 117.46 117.38 1i4z n PHE 69 Ca 0.07 -2.28 -0.13 0.00 1.01 0.00 0.00 57.45 56.12 1i4z n PHE 69 Cb 0.15 -1.10 -0.08 0.00 -0.01 0.00 0.00 39.48 38.44 1i4z n PHE 69 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 1i4z h TYR 70 N 1.39 -0.23 -0.39 1.38 5.03 -1.90 -2.97 116.97 119.28 1i4z h TYR 70 Ca 0.60 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.96 1i4z h TYR 70 Cb 2.02 0.08 -0.08 0.00 1.55 0.00 0.00 36.73 40.29 1i4z h TYR 70 CO 1.49 0.09 -0.52 -0.44 -1.32 0.00 0.00 178.16 177.46 1i4z h ASP 71 N -0.56 -1.73 -0.94 -2.11 5.19 -1.86 -0.29 116.42 114.11 1i4z h ASP 71 Ca -0.03 0.23 0.14 0.00 -0.62 0.00 0.00 57.03 56.76 1i4z h ASP 71 Cb 0.42 0.72 -0.08 0.00 0.18 0.00 0.00 39.33 40.57 1i4z h ASP 71 CO 0.04 -0.40 0.60 1.05 -3.12 0.00 0.00 179.24 177.41 1i4z h GLU 72 N -0.39 0.78 -0.05 3.56 -0.00 -1.92 -0.68 114.58 115.88 1i4z h GLU 72 Ca 0.09 -0.05 -0.14 0.00 -0.00 0.00 0.00 59.36 59.27 1i4z h GLU 72 Cb 0.60 -0.17 -0.01 0.00 -0.00 0.00 0.00 28.75 29.16 1i4z h GLU 72 CO -0.58 0.51 -0.60 1.25 -0.00 0.00 0.00 179.01 179.59 1i4z h HIS 73 N 0.80 0.20 -0.34 2.06 2.76 -1.12 -2.79 115.15 116.72 1i4z h HIS 73 Ca 0.48 -0.08 -0.14 0.00 -2.20 0.00 0.00 60.37 58.43 1i4z h HIS 73 Cb 0.67 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 1i4z h HIS 73 CO -0.00 0.72 -0.36 -0.22 -1.30 0.00 0.00 177.93 176.76 1i4z h LYS 74 N 0.11 0.78 -0.51 5.26 3.64 0.46 -2.02 116.57 124.29 1i4z h LYS 74 Ca -0.01 -0.39 -0.04 0.00 -1.27 0.00 0.00 60.65 58.95 1i4z h LYS 74 Cb 1.09 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1i4z h LYS 74 CO 0.09 1.01 0.17 0.87 -2.27 0.00 0.00 179.45 179.32 1i4z h LYS 75 N 0.65 0.79 -0.67 1.90 1.57 -1.34 -1.47 116.57 118.00 1i4z h LYS 75 Ca 0.06 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1i4z h LYS 75 Cb 0.91 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.06 1i4z h LYS 75 CO 0.08 0.73 0.42 0.93 -0.57 0.00 0.00 179.45 181.04 1i4z h GLU 76 N 0.70 0.80 -0.56 3.15 4.39 -1.32 -1.43 114.58 120.30 1i4z h GLU 76 Ca 0.17 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1i4z h GLU 76 Cb 0.26 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1i4z h GLU 76 CO -0.01 0.53 0.25 0.45 -1.16 0.00 0.00 179.01 179.08 1i4z h HIS 77 N 0.83 0.79 -0.02 4.33 3.86 -1.06 -2.13 115.15 121.74 1i4z h HIS 77 Ca 0.27 -0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.36 1i4z h HIS 77 Cb 0.02 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1i4z h HIS 77 CO -0.04 0.60 -0.42 0.93 0.86 0.00 0.00 177.93 179.86 1i4z h GLU 78 N 0.80 0.05 0.63 2.45 5.08 -0.30 -2.55 114.58 120.73 1i4z h GLU 78 Ca 0.20 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1i4z h GLU 78 Cb 0.11 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1i4z h GLU 78 CO -0.02 0.46 -0.32 1.15 -1.00 0.00 0.00 179.01 179.28 1i4z h THR 79 N 0.04 0.35 -0.73 1.13 2.02 -0.60 0.94 112.91 116.06 1i4z h THR 79 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1i4z h THR 79 Cb 0.76 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1i4z h THR 79 CO 0.06 0.00 0.41 0.15 0.37 0.00 0.00 175.52 176.51 1i4z h PHE 80 N -0.87 0.99 -0.54 3.16 3.57 -1.47 -0.21 116.94 121.57 1i4z h PHE 80 Ca -0.08 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 1i4z h PHE 80 Cb 0.68 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1i4z h PHE 80 CO -0.04 0.69 0.08 0.82 -2.23 0.00 0.00 178.31 177.63 1i4z h ILE 81 N 1.00 1.25 -0.26 1.41 1.08 -1.40 0.62 117.51 121.22 1i4z h ILE 81 Ca 0.26 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1i4z h ILE 81 Cb 0.01 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1i4z h ILE 81 CO -0.04 0.35 0.13 -0.74 -0.69 0.00 0.00 178.15 177.16 1i4z h HIS 82 N 0.78 0.37 -0.71 1.37 2.76 -0.39 0.13 115.15 119.45 1i4z h HIS 82 Ca 0.16 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 1i4z h HIS 82 Cb 0.41 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.20 1i4z h HIS 82 CO 0.03 0.34 0.42 0.00 -1.30 0.00 0.00 177.93 177.41 1i4z h ALA 83 N 1.00 0.96 0.00 5.26 0.00 -0.80 0.81 119.26 126.48 1i4z h ALA 83 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1i4z h ALA 83 Cb 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1i4z h ALA 83 CO -0.01 0.12 0.00 -0.07 0.00 0.00 0.00 179.25 179.29 1i4z h LEU 84 N 0.77 0.00 0.00 0.00 4.07 -0.33 -2.27 115.31 117.55 1i4z h LEU 84 Ca 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.25 1i4z h LEU 84 Cb 0.16 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.90 1i4z h LEU 84 CO -0.17 0.00 -0.76 0.44 -1.08 0.00 0.00 178.44 176.87 1i4z h ASP 85 N 0.00 0.00 -2.02 -0.43 3.45 0.14 -3.35 116.42 114.21 1i4z h ASP 85 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 1i4z h ASP 85 Cb 0.54 0.00 -0.42 0.00 -0.56 0.00 0.00 39.33 38.89 1i4z h ASP 85 CO 0.00 0.07 -0.78 0.59 -1.57 0.00 0.00 179.24 177.55 1i4z n ASN 86 N -2.83 3.78 -4.65 6.45 5.03 -0.11 -5.08 115.26 117.85 1i4z n ASN 86 Ca 0.00 -3.53 -0.42 0.00 0.87 0.00 0.00 54.58 51.50 1i4z n ASN 86 Cb 0.58 -0.55 -0.03 0.00 -1.02 0.00 0.00 39.78 38.76 1i4z n ASN 86 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 1i4z s TRP 87 N -3.30 2.07 -1.43 3.10 -0.00 -0.89 -4.83 118.94 113.66 1i4z s TRP 87 Ca 0.46 0.34 0.14 0.00 -0.00 0.00 0.00 56.10 57.04 1i4z s TRP 87 Cb 0.32 -3.89 0.28 0.00 -0.00 0.00 0.00 33.47 30.18 1i4z s TRP 87 CO -0.13 -3.49 1.17 0.36 -0.00 0.00 0.00 176.95 174.86 1i4z n LYS 88 N 7.20 2.07 -0.71 5.86 -0.00 -1.26 -4.98 118.16 126.33 1i4z n LYS 88 Ca 0.17 -1.85 0.00 0.00 -0.00 0.00 0.00 58.31 56.64 1i4z n LYS 88 Cb 0.43 -1.31 0.00 0.00 -0.00 0.00 0.00 35.03 34.15 1i4z n LYS 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i4z n GLY 89 N 0.80 0.65 2.95 2.58 0.00 -1.26 -4.97 105.19 105.93 1i4z n GLY 89 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1i4z n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i4z n ASP 90 N 0.00 3.19 0.07 1.61 4.64 -1.26 -4.72 116.55 120.07 1i4z n ASP 90 Ca 0.00 -2.76 0.06 0.00 -1.38 0.00 0.00 54.79 50.71 1i4z n ASP 90 Cb 0.00 -1.38 0.49 0.00 -1.04 0.00 0.00 41.12 39.19 1i4z n ASP 90 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 1i4z h VAL 91 N 4.31 1.06 -0.41 5.18 3.04 -1.94 -2.48 116.25 125.01 1i4z h VAL 91 Ca 0.49 -0.13 -0.15 0.00 -1.01 0.00 0.00 66.70 65.89 1i4z h VAL 91 Cb 0.66 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 1i4z h VAL 91 CO 1.91 0.07 -0.34 0.50 -1.01 0.00 0.00 177.57 178.70 1i4z h LYS 92 N 0.39 0.94 -0.34 4.17 3.64 -2.00 -1.19 116.57 122.19 1i4z h LYS 92 Ca 0.12 -0.47 -0.03 0.00 -1.27 0.00 0.00 60.65 59.01 1i4z h LYS 92 Cb 0.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1i4z h LYS 92 CO -0.03 1.13 0.11 2.35 -2.27 0.00 0.00 179.45 180.74 1i4z h TRP 93 N 0.78 0.54 -0.83 1.91 7.01 -1.86 -2.48 115.95 121.02 1i4z h TRP 93 Ca 0.08 -0.05 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 1i4z h TRP 93 Cb 0.92 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.79 1i4z h TRP 93 CO 0.06 0.52 0.37 0.00 -2.79 0.00 0.00 178.44 176.61 1i4z h ALA 94 N 0.95 1.09 -0.01 2.65 0.00 -1.38 0.44 119.26 123.01 1i4z h ALA 94 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1i4z h ALA 94 Cb 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1i4z h ALA 94 CO -0.00 0.67 -0.02 0.87 0.00 0.00 0.00 179.25 180.76 1i4z h LYS 95 N 1.20 -0.03 -0.11 0.00 1.57 -1.05 -1.84 116.57 116.30 1i4z h LYS 95 Ca 0.28 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.87 1i4z h LYS 95 Cb 0.16 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1i4z h LYS 95 CO -0.03 -0.02 -0.74 0.66 -0.57 0.00 0.00 179.45 178.74 1i4z h SER 96 N -0.03 0.67 -0.36 0.86 4.64 -1.25 -2.60 113.55 115.47 1i4z h SER 96 Ca 0.01 -0.44 0.02 0.00 -0.47 0.00 0.00 61.79 60.91 1i4z h SER 96 Cb 0.05 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 1i4z h SER 96 CO -0.03 1.20 0.21 -0.25 -0.87 0.00 0.00 176.83 177.09 1i4z h TRP 97 N 0.39 0.38 0.16 4.77 7.01 0.02 -0.28 115.95 128.39 1i4z h TRP 97 Ca -0.04 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 1i4z h TRP 97 Cb 1.34 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.28 1i4z h TRP 97 CO 0.06 0.22 -0.08 -0.92 -2.79 0.00 0.00 178.44 174.93 1i4z h TYR 98 N 0.42 -0.20 -0.78 2.65 3.20 -1.38 0.12 116.97 121.00 1i4z h TYR 98 Ca 0.15 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.19 1i4z h TYR 98 Cb 0.02 0.07 -0.12 0.00 1.54 0.00 0.00 36.73 38.24 1i4z h TYR 98 CO -0.08 0.09 0.20 0.28 -1.64 0.00 0.00 178.16 177.02 1i4z h VAL 99 N -0.49 0.47 -0.00 1.81 2.07 -1.25 0.16 116.25 119.01 1i4z h VAL 99 Ca -0.02 -0.09 -0.18 0.00 0.82 0.00 0.00 66.70 67.23 1i4z h VAL 99 Cb 0.38 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1i4z h VAL 99 CO 0.04 0.05 -0.80 0.78 0.02 0.00 0.00 177.57 177.65 1i4z h ASN 100 N 0.27 0.13 0.13 0.57 2.35 -0.99 -2.83 115.58 115.21 1i4z h ASN 100 Ca 0.46 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1i4z h ASN 100 Cb 0.81 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.14 1i4z h ASN 100 CO -0.54 0.88 -0.09 -0.74 -1.65 0.00 0.00 177.43 175.28 1i4z h HIS 101 N 0.06 -0.23 -0.14 1.19 2.76 0.13 -1.84 115.15 117.08 1i4z h HIS 101 Ca -0.02 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.09 1i4z h HIS 101 Cb 1.40 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 30.45 1i4z h HIS 101 CO 0.01 -0.14 -0.11 0.97 -1.30 0.00 0.00 177.93 177.36 1i4z h ILE 102 N -0.22 1.34 0.00 6.26 2.10 -1.45 0.40 117.51 125.94 1i4z h ILE 102 Ca -0.01 -1.23 -0.02 0.00 1.08 0.00 0.00 64.86 64.68 1i4z h ILE 102 Cb 0.19 1.84 -0.00 0.00 -1.09 0.00 0.00 36.82 37.76 1i4z h ILE 102 CO 0.00 0.36 -0.08 0.11 -1.08 0.00 0.00 178.15 177.47 1i4z h LYS 103 N -0.03 0.00 0.00 2.19 1.57 -1.50 -1.00 116.57 117.79 1i4z h LYS 103 Ca 0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1i4z h LYS 103 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1i4z h LYS 103 CO 0.03 0.08 -1.22 0.25 -0.57 0.00 0.00 179.45 178.02 1i4z n THR 104 N -3.37 0.22 -0.08 -0.16 -2.24 -0.69 -4.59 114.28 103.37 1i4z n THR 104 Ca -0.01 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 1i4z n THR 104 Cb 0.24 -0.65 -0.12 0.00 -2.10 0.00 0.00 70.33 67.70 1i4z n THR 104 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1i4z n ILE 105 N -2.58 1.61 0.12 2.28 2.08 0.03 -3.90 119.36 119.00 1i4z n ILE 105 Ca -0.07 -0.25 -0.13 0.00 0.56 0.00 0.00 62.75 62.86 1i4z n ILE 105 Cb 0.57 -1.92 -0.08 0.00 -0.75 0.00 0.00 39.64 37.46 1i4z n ILE 105 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1i4z h ASP 106 N -0.66 -0.26 -0.45 4.38 5.19 -1.13 -2.75 116.42 120.73 1i4z h ASP 106 Ca -0.41 -0.18 0.13 0.00 -0.62 0.00 0.00 57.03 55.96 1i4z h ASP 106 Cb 1.56 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 41.12 1i4z h ASP 106 CO -0.14 0.04 0.80 -0.26 -3.12 0.00 0.00 179.24 176.56 1i4z h PHE 107 N -0.57 0.00 0.00 4.55 0.05 -1.40 0.27 116.94 119.84 1i4z h PHE 107 Ca -0.03 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.71 1i4z h PHE 107 Cb 0.42 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.36 1i4z h PHE 107 CO 0.01 0.00 -0.25 0.87 -0.18 0.00 0.00 178.31 178.76 1i4z h LYS 108 N 0.00 0.00 -0.28 1.51 1.79 -1.60 -2.91 116.57 115.08 1i4z h LYS 108 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1i4z h LYS 108 Cb 1.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.45 1i4z h LYS 108 CO -0.00 0.25 0.00 2.48 -1.08 0.00 0.00 179.45 181.10 1i4z n TYR 109 N -3.57 0.37 -1.70 -1.35 0.18 0.93 -4.91 117.16 107.11 1i4z n TYR 109 Ca -0.01 -0.19 -0.43 0.00 1.88 0.00 0.00 57.90 59.16 1i4z n TYR 109 Cb 0.39 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.32 1i4z n TYR 109 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1i4z n LYS 110 N 0.47 2.72 -1.11 -3.48 5.02 -1.10 -1.85 118.16 118.83 1i4z n LYS 110 Ca 0.14 0.99 -0.04 0.00 -2.02 0.00 0.00 58.31 57.38 1i4z n LYS 110 Cb 0.32 -2.85 -0.02 0.00 -0.02 0.00 0.00 35.03 32.46 1i4z n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i4z n GLY 111 N 4.06 0.58 0.00 0.72 0.00 -1.26 -4.83 105.19 104.46 1i4z n GLY 111 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1i4z n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i4z n LYS 112 N -1.56 -0.45 0.00 1.61 5.02 -0.77 -5.26 118.16 116.75 1i4z n LYS 112 Ca -0.04 -0.41 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 1i4z n LYS 112 Cb 0.29 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 1i4z n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32