#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 2.99 0.09 1.61 0.08 -1.26 -5.00 117.98 116.49 1i4z s PHE 2 Ca 0.00 1.57 -0.31 0.00 0.12 0.00 0.00 56.93 58.31 1i4z s PHE 2 Cb 0.00 -3.26 -0.08 0.00 -0.57 0.00 0.00 43.02 39.12 1i4z s PHE 2 CO 0.00 -1.17 1.41 -1.25 -0.10 0.00 0.00 175.22 174.11 1i4z s PRO 3 N -2.76 4.31 -0.34 0.24 0.04 -1.26 -4.95 135.00 130.28 1i4z s PRO 3 Ca 0.63 2.07 -0.26 0.00 0.04 0.00 0.00 61.00 63.49 1i4z s PRO 3 Cb -0.25 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 30.99 1i4z s PRO 3 CO 0.30 -0.48 0.93 0.42 0.04 0.00 0.00 177.00 178.21 1i4z s ILE 4 N 1.39 4.62 0.76 0.56 -1.09 -1.26 -5.03 121.20 121.16 1i4z s ILE 4 Ca 0.65 1.35 -0.15 0.00 -2.23 0.00 0.00 60.65 60.26 1i4z s ILE 4 Cb -0.36 -4.31 0.01 0.00 -1.58 0.00 0.00 42.46 36.23 1i4z s ILE 4 CO 0.30 -0.44 0.85 -2.65 -1.23 0.00 0.00 174.94 171.76 1i4z n PRO 5 N 6.64 0.30 -3.26 2.79 -0.02 -1.26 -4.98 135.00 135.22 1i4z n PRO 5 Ca 0.08 0.16 -0.04 0.00 -2.02 0.00 0.00 63.50 61.68 1i4z n PRO 5 Cb 0.48 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 1i4z n PRO 5 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1i4z s ASP 6 N -1.74 -0.44 0.75 2.55 -1.08 -1.26 -3.39 116.67 112.05 1i4z s ASP 6 Ca 0.70 0.27 -0.14 0.00 -0.52 0.00 0.00 52.55 52.85 1i4z s ASP 6 Cb -0.32 1.54 0.05 0.00 -1.46 0.00 0.00 42.92 42.72 1i4z s ASP 6 CO 0.54 -0.30 1.20 -2.16 0.52 0.00 0.00 175.17 174.97 1i4z s PRO 7 N 2.67 2.05 -0.95 4.34 0.04 -1.26 -5.02 135.00 136.87 1i4z s PRO 7 Ca 0.14 1.73 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 1i4z s PRO 7 Cb -0.14 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.46 1i4z s PRO 7 CO -0.22 -1.90 1.94 0.98 0.04 0.00 0.00 177.00 177.84 1i4z n TYR 8 N -2.87 2.33 -4.44 0.56 4.19 -1.22 -4.86 117.16 110.85 1i4z n TYR 8 Ca 0.13 -1.85 -0.23 0.00 3.31 0.00 0.00 57.90 59.25 1i4z n TYR 8 Cb 0.50 -2.03 -0.10 0.00 0.49 0.00 0.00 39.34 38.20 1i4z n TYR 8 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 1i4z s VAL 9 N 6.31 2.34 0.57 2.97 1.01 -1.26 -4.55 120.40 127.79 1i4z s VAL 9 Ca 0.59 -2.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.09 1i4z s VAL 9 Cb 0.10 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1i4z s VAL 9 CO 0.11 -0.39 1.04 0.86 0.00 0.00 0.00 175.10 176.72 1i4z s TRP 10 N -2.45 3.11 0.06 5.22 -0.00 -1.26 -4.83 118.94 118.78 1i4z s TRP 10 Ca 0.27 1.51 -0.06 0.00 -0.00 0.00 0.00 56.10 57.81 1i4z s TRP 10 Cb -0.05 -2.96 -0.01 0.00 -0.00 0.00 0.00 33.47 30.45 1i4z s TRP 10 CO 0.13 -0.91 0.12 0.16 -0.00 0.00 0.00 176.95 176.46 1i4z s ASP 11 N -2.79 0.20 0.61 5.86 1.47 -1.26 -5.03 116.67 115.72 1i4z s ASP 11 Ca 0.63 -0.65 0.18 0.00 1.18 0.00 0.00 52.55 53.89 1i4z s ASP 11 Cb -0.15 0.28 1.00 0.00 -0.34 0.00 0.00 42.92 43.72 1i4z s ASP 11 CO 0.34 -0.63 1.54 -0.65 0.68 0.00 0.00 175.17 176.46 1i4z h PRO 12 N 3.15 0.00 0.00 2.11 0.11 -2.01 0.23 132.00 135.60 1i4z h PRO 12 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1i4z h PRO 12 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1i4z h PRO 12 CO 0.56 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.22 1i4z n SER 13 N -2.64 0.42 0.01 -2.05 3.41 -1.26 -2.70 113.62 108.81 1i4z n SER 13 Ca -0.01 0.61 -0.08 0.00 -0.26 0.00 0.00 58.87 59.13 1i4z n SER 13 Cb 0.56 -0.70 -0.13 0.00 -0.26 0.00 0.00 64.21 63.68 1i4z n SER 13 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1i4z h PHE 14 N 0.00 0.02 -0.76 7.33 -1.00 -0.95 -3.49 116.94 118.08 1i4z h PHE 14 Ca 0.00 -0.01 -0.60 0.00 2.81 0.00 0.00 57.97 60.17 1i4z h PHE 14 Cb 0.28 -0.00 0.04 0.00 3.61 0.00 0.00 35.95 39.88 1i4z h PHE 14 CO 0.00 1.02 0.02 0.54 -1.61 0.00 0.00 178.31 178.28 1i4z n ARG 15 N -3.17 0.00 0.00 1.51 1.74 -1.10 -4.85 116.66 110.79 1i4z n ARG 15 Ca -0.11 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.07 1i4z n ARG 15 Cb 1.01 -1.13 -0.08 0.00 -1.02 0.00 0.00 32.46 31.25 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 1.08 0.00 -1.07 0.55 -2.24 -1.26 -4.96 114.28 106.39 1i4z n THR 16 Ca 0.15 -0.11 -0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1i4z n THR 16 Cb 0.07 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.06 0.00 -3.78 4.78 3.72 -1.26 -4.78 117.46 115.08 1i4z n PHE 17 Ca 0.05 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.09 1i4z n PHE 17 Cb 0.34 -0.80 -0.11 0.00 -0.94 0.00 0.00 39.48 37.97 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 -2.07 3.53 0.18 1.38 2.02 -1.26 -5.00 117.35 116.13 1i4z s TYR 18 Ca 0.00 -2.56 -0.25 0.00 -0.37 0.00 0.00 57.07 53.90 1i4z s TYR 18 Cb 0.00 -3.19 0.07 0.00 -0.40 0.00 0.00 41.96 38.44 1i4z s TYR 18 CO 0.00 -0.93 1.56 0.77 -1.57 0.00 0.00 175.55 175.38 1i4z h SER 19 N 7.68 -1.57 -0.76 2.29 0.02 -1.98 0.34 113.55 119.57 1i4z h SER 19 Ca -0.09 0.27 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1i4z h SER 19 Cb 1.01 0.73 -0.05 0.00 0.14 0.00 0.00 62.40 64.23 1i4z h SER 19 CO 0.69 -0.31 0.47 0.40 -1.14 0.00 0.00 176.83 176.94 1i4z h ILE 20 N -0.15 1.06 -0.33 3.27 1.08 -2.00 -1.11 117.51 119.33 1i4z h ILE 20 Ca 0.21 -0.31 -0.14 0.00 -0.39 0.00 0.00 64.86 64.24 1i4z h ILE 20 Cb 0.55 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 1i4z h ILE 20 CO -0.78 0.16 -0.36 0.40 -0.69 0.00 0.00 178.15 176.88 1i4z h ILE 21 N 0.89 1.28 -0.56 -0.67 2.04 -1.71 -2.84 117.51 115.95 1i4z h ILE 21 Ca 0.32 -1.52 -0.06 0.00 1.00 0.00 0.00 64.86 64.60 1i4z h ILE 21 Cb 0.09 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1i4z h ILE 21 CO -0.14 0.50 0.12 0.44 0.00 0.00 0.00 178.15 179.07 1i4z h ASP 22 N 0.64 0.86 -0.96 1.72 3.32 0.24 -2.00 116.42 120.24 1i4z h ASP 22 Ca 0.06 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.87 1i4z h ASP 22 Cb 0.90 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 1i4z h ASP 22 CO 0.08 0.88 0.62 0.44 -1.72 0.00 0.00 179.24 179.54 1i4z h ASP 23 N 0.80 1.11 -0.44 6.45 3.45 -1.20 -1.37 116.42 125.22 1i4z h ASP 23 Ca 0.17 -0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.51 1i4z h ASP 23 Cb 0.37 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 1i4z h ASP 23 CO 0.00 0.82 -0.01 -0.33 -1.57 0.00 0.00 179.24 178.15 1i4z h GLU 24 N 1.30 0.85 -0.60 3.56 5.08 -1.21 -2.21 114.58 121.36 1i4z h GLU 24 Ca 0.35 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1i4z h GLU 24 Cb -0.13 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1i4z h GLU 24 CO -0.07 0.86 0.36 0.45 -1.00 0.00 0.00 179.01 179.61 1i4z h HIS 25 N 0.79 0.78 0.33 4.33 3.86 -0.54 -1.38 115.15 123.32 1i4z h HIS 25 Ca 0.15 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1i4z h HIS 25 Cb 0.49 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1i4z h HIS 25 CO 0.03 0.52 -0.16 0.87 0.86 0.00 0.00 177.93 180.05 1i4z h LYS 26 N 0.82 -0.43 -0.49 2.45 1.57 -0.76 -0.55 116.57 119.18 1i4z h LYS 26 Ca 0.22 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.08 1i4z h LYS 26 Cb -0.03 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1i4z h LYS 26 CO -0.04 -0.22 0.21 1.79 -0.57 0.00 0.00 179.45 180.62 1i4z h THR 27 N -0.55 0.90 -0.75 -0.16 1.35 -1.32 -1.90 112.91 110.47 1i4z h THR 27 Ca -0.05 -0.14 0.06 0.00 -0.55 0.00 0.00 66.41 65.73 1i4z h THR 27 Cb 0.41 0.44 -0.06 0.00 -1.73 0.00 0.00 68.15 67.21 1i4z h THR 27 CO 0.08 0.08 0.44 -0.07 -0.25 0.00 0.00 175.52 175.79 1i4z h LEU 28 N 0.42 0.67 -1.05 3.87 3.38 -1.00 -1.12 115.31 120.48 1i4z h LEU 28 Ca 0.23 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1i4z h LEU 28 Cb 0.19 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1i4z h LEU 28 CO -0.19 0.42 0.64 -0.26 0.09 0.00 0.00 178.44 179.14 1i4z h PHE 29 N 0.80 1.20 -0.34 1.13 -1.00 -0.34 -2.27 116.94 116.12 1i4z h PHE 29 Ca 0.34 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 61.07 1i4z h PHE 29 Cb 0.20 -0.40 -0.02 0.00 3.61 0.00 0.00 35.95 39.34 1i4z h PHE 29 CO -0.06 0.71 -0.09 -0.97 -1.61 0.00 0.00 178.31 176.29 1i4z h ASN 30 N 1.26 0.56 -0.67 2.17 -1.24 -0.60 -1.29 115.58 115.76 1i4z h ASN 30 Ca 0.38 -0.14 -0.06 0.00 0.71 0.00 0.00 56.30 57.19 1i4z h ASN 30 Cb -0.04 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 38.84 1i4z h ASN 30 CO -0.11 0.69 0.20 1.23 -1.29 0.00 0.00 177.43 178.15 1i4z h GLY 31 N 0.93 1.13 1.77 1.57 0.00 -0.75 -2.43 103.07 105.29 1i4z h GLY 31 Ca 0.10 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 1i4z h GLY 31 CO 0.03 0.64 -0.57 1.19 0.00 0.00 0.00 176.54 177.82 1i4z h ILE 32 N 0.99 0.56 0.02 2.60 6.09 -1.47 -2.78 117.51 123.51 1i4z h ILE 32 Ca 0.22 -1.83 0.00 0.00 -1.37 0.00 0.00 64.86 61.87 1i4z h ILE 32 Cb 0.32 2.20 -0.00 0.00 0.47 0.00 0.00 36.82 39.81 1i4z h ILE 32 CO -0.00 0.32 -0.02 0.15 -3.07 0.00 0.00 178.15 175.53 1i4z h PHE 33 N 0.00 -0.04 0.00 2.19 3.57 -0.80 -1.75 116.94 120.10 1i4z h PHE 33 Ca -0.03 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 1i4z h PHE 33 Cb 1.30 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 1i4z h PHE 33 CO 0.00 -0.03 -0.35 0.45 -2.23 0.00 0.00 178.31 176.15 1i4z h HIS 34 N -0.04 0.00 0.00 0.41 3.86 -1.48 -2.80 115.15 115.10 1i4z h HIS 34 Ca 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 1i4z h HIS 34 Cb 0.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1i4z h HIS 34 CO -0.09 0.35 -0.43 1.25 0.86 0.00 0.00 177.93 179.87 1i4z h LEU 35 N 0.00 0.00 -0.41 2.43 7.12 -1.19 0.19 115.31 123.45 1i4z h LEU 35 Ca -0.00 0.00 -0.16 0.00 0.13 0.00 0.00 57.88 57.85 1i4z h LEU 35 Cb 0.97 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.09 1i4z h LEU 35 CO 0.05 0.43 -0.35 0.00 -0.13 0.00 0.00 178.44 178.43 1i4z h ALA 36 N 1.57 0.59 0.16 1.25 0.00 -1.06 -2.83 119.26 118.94 1i4z h ALA 36 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1i4z h ALA 36 Cb 0.77 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1i4z h ALA 36 CO 0.06 0.68 -0.08 0.82 0.00 0.00 0.00 179.25 180.73 1i4z h ILE 37 N 0.79 0.94 -3.05 0.00 2.04 -1.38 -3.43 117.51 113.43 1i4z h ILE 37 Ca 0.07 -1.01 -0.54 0.00 1.00 0.00 0.00 64.86 64.38 1i4z h ILE 37 Cb 0.95 1.51 -0.40 0.00 -0.74 0.00 0.00 36.82 38.14 1i4z h ILE 37 CO 0.09 0.22 -0.77 -0.62 0.00 0.00 0.00 178.15 177.07 1i4z s ASP 38 N -5.43 3.52 0.00 1.72 2.15 0.64 -5.01 116.67 114.27 1i4z s ASP 38 Ca -0.14 -1.28 0.02 0.00 0.43 0.00 0.00 52.55 51.58 1i4z s ASP 38 Cb 0.01 -0.60 0.12 0.00 -0.30 0.00 0.00 42.92 42.16 1i4z s ASP 38 CO 0.54 -0.40 0.41 -0.67 -0.17 0.00 0.00 175.17 174.88 1i4z n ASP 39 N 5.05 0.00 -4.34 -0.34 4.64 -1.07 -4.35 116.55 116.14 1i4z n ASP 39 Ca -0.05 -0.27 -0.33 0.00 -1.38 0.00 0.00 54.79 52.76 1i4z n ASP 39 Cb 0.44 0.00 0.12 0.00 -1.04 0.00 0.00 41.12 40.64 1i4z n ASP 39 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 1i4z n ASN 40 N -0.69 -2.48 -0.29 1.67 2.04 -1.26 -4.68 115.26 109.56 1i4z n ASN 40 Ca 0.02 0.21 0.02 0.00 -0.44 0.00 0.00 54.58 54.39 1i4z n ASN 40 Cb 0.01 -1.10 0.21 0.00 -2.53 0.00 0.00 39.78 36.37 1i4z n ASN 40 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1i4z h ALA 41 N -1.62 1.45 -0.37 -2.53 0.00 -1.99 -2.41 119.26 111.79 1i4z h ALA 41 Ca -0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1i4z h ALA 41 Cb 1.30 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1i4z h ALA 41 CO 0.34 0.46 0.15 -0.44 0.00 0.00 0.00 179.25 179.76 1i4z h ASP 42 N 1.10 0.51 -0.41 0.00 5.19 -1.94 0.39 116.42 121.25 1i4z h ASP 42 Ca 0.35 -0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.56 1i4z h ASP 42 Cb 0.03 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 1i4z h ASP 42 CO -0.11 0.53 0.13 0.78 -3.12 0.00 0.00 179.24 177.46 1i4z h ASN 43 N 0.45 0.66 -0.20 6.45 2.35 -1.76 -0.18 115.58 123.34 1i4z h ASN 43 Ca 0.12 -0.10 -0.18 0.00 -0.55 0.00 0.00 56.30 55.59 1i4z h ASN 43 Cb 0.19 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1i4z h ASN 43 CO -0.01 0.64 -0.59 0.25 -1.65 0.00 0.00 177.43 176.07 1i4z h LEU 44 N 0.69 0.87 -0.21 1.61 5.85 -1.14 -2.53 115.31 120.46 1i4z h LEU 44 Ca 0.16 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 1i4z h LEU 44 Cb 0.23 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1i4z h LEU 44 CO -0.01 1.30 0.05 1.23 -0.34 0.00 0.00 178.44 180.67 1i4z h GLY 45 N 0.49 0.37 0.40 3.75 0.00 -0.57 0.44 103.07 107.94 1i4z h GLY 45 Ca -0.02 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.15 1i4z h GLY 45 CO 0.13 0.22 0.04 -2.09 0.00 0.00 0.00 176.54 174.84 1i4z h GLU 46 N 0.16 0.15 0.88 4.80 4.57 -1.10 0.24 114.58 124.28 1i4z h GLU 46 Ca 0.07 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 1i4z h GLU 46 Cb 0.29 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1i4z h GLU 46 CO 0.00 0.10 -0.42 1.25 -1.18 0.00 0.00 179.01 178.76 1i4z h LEU 47 N 0.15 -1.00 -0.86 1.64 5.85 -1.25 -2.03 115.31 117.80 1i4z h LEU 47 Ca 0.20 0.03 0.22 0.00 0.84 0.00 0.00 57.88 59.18 1i4z h LEU 47 Cb 0.27 0.26 -0.15 0.00 0.37 0.00 0.00 40.66 41.42 1i4z h LEU 47 CO -0.31 -0.68 0.14 -0.09 -0.34 0.00 0.00 178.44 177.17 1i4z h ARG 48 N -1.26 0.14 -0.64 1.25 9.65 0.15 0.57 114.38 124.24 1i4z h ARG 48 Ca -0.12 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.69 1i4z h ARG 48 Cb 0.91 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.43 1i4z h ARG 48 CO 0.20 0.09 0.15 -0.09 2.80 0.00 0.00 179.97 183.13 1i4z h ARG 49 N 0.15 1.01 -0.17 0.20 2.43 -0.42 -1.18 114.38 116.40 1i4z h ARG 49 Ca 0.52 -0.23 -0.14 0.00 -0.81 0.00 0.00 59.98 59.32 1i4z h ARG 49 Cb 1.03 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1i4z h ARG 49 CO -0.70 0.90 -0.51 0.00 -1.51 0.00 0.00 179.97 178.15 1i4z h THR 51 N 0.36 1.29 -0.42 0.00 2.02 -0.46 -1.61 112.91 114.10 1i4z h THR 51 Ca 0.01 -1.85 -0.11 0.00 0.77 0.00 0.00 66.41 65.23 1i4z h THR 51 Cb 1.01 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 1i4z h THR 51 CO 0.09 0.59 -0.17 1.23 0.37 0.00 0.00 175.52 177.63 1i4z h GLY 52 N 0.78 0.92 0.68 2.16 0.00 -1.11 -1.45 103.07 105.05 1i4z h GLY 52 Ca -0.01 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.50 1i4z h GLY 52 CO 0.13 0.74 -0.05 1.70 0.00 0.00 0.00 176.54 179.06 1i4z h LYS 53 N 0.67 -0.12 0.61 4.80 3.64 -1.31 -2.38 116.57 122.48 1i4z h LYS 53 Ca 0.10 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1i4z h LYS 53 Cb 0.73 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1i4z h LYS 53 CO 0.06 0.20 -0.29 1.25 -2.27 0.00 0.00 179.45 178.39 1i4z h HIS 54 N -0.45 -0.76 -0.94 1.91 2.76 -1.33 0.19 115.15 116.53 1i4z h HIS 54 Ca -0.01 -0.02 0.23 0.00 -2.20 0.00 0.00 60.37 58.37 1i4z h HIS 54 Cb 0.38 0.25 -0.12 0.00 1.55 0.00 0.00 27.41 29.47 1i4z h HIS 54 CO 0.03 -0.45 0.48 0.74 -1.30 0.00 0.00 177.93 177.43 1i4z h PHE 55 N -0.90 0.81 -0.03 5.26 -1.00 -1.36 0.55 116.94 120.26 1i4z h PHE 55 Ca -0.08 0.04 -0.16 0.00 2.81 0.00 0.00 57.97 60.58 1i4z h PHE 55 Cb 0.66 -0.21 0.01 0.00 3.61 0.00 0.00 35.95 40.02 1i4z h PHE 55 CO -0.02 0.00 -0.59 1.25 -1.61 0.00 0.00 178.31 177.35 1i4z h LEU 56 N 0.48 0.58 -0.87 1.54 5.85 -1.24 -2.31 115.31 119.34 1i4z h LEU 56 Ca 0.59 -0.72 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1i4z h LEU 56 Cb 1.12 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 1i4z h LEU 56 CO -0.50 1.22 0.55 0.78 -0.34 0.00 0.00 178.44 180.14 1i4z h ASN 57 N -0.01 0.86 0.23 1.25 -0.26 0.11 -1.15 115.58 116.61 1i4z h ASN 57 Ca -0.06 0.02 -0.15 0.00 -0.56 0.00 0.00 56.30 55.54 1i4z h ASN 57 Cb 1.28 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 38.36 1i4z h ASN 57 CO 0.12 0.55 -0.57 -0.08 -1.06 0.00 0.00 177.43 176.39 1i4z h GLU 58 N 0.99 0.36 0.00 0.81 4.81 -0.01 -2.29 114.58 119.24 1i4z h GLU 58 Ca 0.38 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1i4z h GLU 58 Cb 0.17 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1i4z h GLU 58 CO -0.17 0.82 -0.25 1.96 -0.73 0.00 0.00 179.01 180.65 1i4z h GLN 59 N 0.27 0.00 -0.05 1.92 4.20 -0.90 -1.18 115.11 119.37 1i4z h GLN 59 Ca 0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 1i4z h GLN 59 Cb 1.07 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.87 1i4z h GLN 59 CO 0.09 0.25 -0.92 0.28 -0.67 0.00 0.00 178.83 177.86 1i4z h VAL 60 N 0.00 1.31 -0.53 -0.54 2.07 -0.78 -1.75 116.25 116.04 1i4z h VAL 60 Ca -0.00 -2.20 -0.02 0.00 0.82 0.00 0.00 66.70 65.29 1i4z h VAL 60 Cb 0.83 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1i4z h VAL 60 CO 0.03 0.68 0.25 0.25 0.02 0.00 0.00 177.57 178.80 1i4z h LEU 61 N 0.39 0.69 -0.54 2.57 7.12 -1.13 -1.01 115.31 123.40 1i4z h LEU 61 Ca -0.09 -0.13 -0.06 0.00 0.13 0.00 0.00 57.88 57.73 1i4z h LEU 61 Cb 1.56 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 41.49 1i4z h LEU 61 CO 0.18 0.63 0.10 0.24 -0.13 0.00 0.00 178.44 179.45 1i4z h MET 62 N 0.70 0.88 0.00 1.25 2.86 -1.19 -2.58 114.93 116.85 1i4z h MET 62 Ca 0.18 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1i4z h MET 62 Cb 0.12 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1i4z h MET 62 CO -0.02 0.85 -0.27 1.96 1.06 0.00 0.00 176.91 180.49 1i4z h GLN 63 N 0.77 0.00 0.00 1.72 4.20 -1.11 -0.34 115.11 120.35 1i4z h GLN 63 Ca 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1i4z h GLN 63 Cb 0.39 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 1i4z h GLN 63 CO 0.01 0.27 -0.01 0.00 -0.67 0.00 0.00 178.83 178.43 1i4z h ALA 64 N 1.73 1.04 0.00 3.87 0.00 -0.76 -2.10 119.26 123.03 1i4z h ALA 64 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i4z h ALA 64 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1i4z h ALA 64 CO 0.04 0.01 -0.02 0.43 0.00 0.00 0.00 179.25 179.70 1i4z n SER 65 N -3.15 1.38 -3.82 0.00 7.64 -0.97 -5.01 113.62 109.69 1i4z n SER 65 Ca -0.02 -1.83 -0.26 0.00 1.01 0.00 0.00 58.87 57.77 1i4z n SER 65 Cb 0.13 -0.05 0.03 0.00 -1.01 0.00 0.00 64.21 63.31 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 -0.43 -5.31 -1.31 1.43 6.02 -0.56 -4.86 117.38 112.36 1i4z n GLN 66 Ca 0.02 0.61 -0.50 0.00 -0.01 0.00 0.00 57.00 57.12 1i4z n GLN 66 Cb 0.38 -5.35 -0.06 0.00 1.02 0.00 0.00 30.24 26.23 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 -4.52 0.26 -0.27 1.08 -0.00 -0.25 -4.84 117.16 108.63 1i4z n TYR 67 Ca -0.11 0.92 -0.03 0.00 -0.00 0.00 0.00 57.90 58.69 1i4z n TYR 67 Cb 0.59 -1.83 0.14 0.00 -0.00 0.00 0.00 39.34 38.24 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 2.14 1.12 -0.91 2.98 4.15 -1.91 -3.19 115.11 119.49 1i4z h GLN 68 Ca -0.39 -0.14 -0.59 0.00 0.77 0.00 0.00 58.65 58.30 1i4z h GLN 68 Cb 1.28 -0.21 -0.30 0.00 0.21 0.00 0.00 27.48 28.46 1i4z h GLN 68 CO 0.56 0.84 0.52 1.19 -1.93 0.00 0.00 178.83 180.01 1i4z n PHE 69 N -4.33 2.96 -0.13 3.99 3.01 -1.26 -4.68 117.46 117.01 1i4z n PHE 69 Ca 0.08 -2.58 -0.11 0.00 1.01 0.00 0.00 57.45 55.86 1i4z n PHE 69 Cb 0.12 -1.12 -0.02 0.00 -0.01 0.00 0.00 39.48 38.45 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 1.75 0.75 -0.46 1.38 5.03 -1.92 -2.76 116.97 120.74 1i4z h TYR 70 Ca 0.55 -0.14 0.01 0.00 2.58 0.00 0.00 58.73 61.73 1i4z h TYR 70 Cb 1.39 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 39.45 1i4z h TYR 70 CO 1.36 0.78 0.30 -0.44 -1.32 0.00 0.00 178.16 178.84 1i4z h ASP 71 N 0.50 0.50 -0.46 -2.11 5.19 -1.88 -0.70 116.42 117.47 1i4z h ASP 71 Ca 0.11 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.46 1i4z h ASP 71 Cb 0.49 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1i4z h ASP 71 CO 0.02 0.36 0.11 1.05 -3.12 0.00 0.00 179.24 177.67 1i4z h GLU 72 N 0.60 0.73 -0.75 3.56 -0.00 -1.93 -1.96 114.58 114.83 1i4z h GLU 72 Ca 0.17 -0.18 -0.03 0.00 -0.00 0.00 0.00 59.36 59.32 1i4z h GLU 72 Cb -0.05 -0.10 -0.03 0.00 -0.00 0.00 0.00 28.75 28.57 1i4z h GLU 72 CO -0.05 0.72 0.34 1.25 -0.00 0.00 0.00 179.01 181.28 1i4z h HIS 73 N 0.61 1.09 -0.30 2.06 2.76 -1.29 -1.03 115.15 119.05 1i4z h HIS 73 Ca 0.14 -0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 1i4z h HIS 73 Cb 0.32 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1i4z h HIS 73 CO 0.02 0.81 -0.25 -0.22 -1.30 0.00 0.00 177.93 176.99 1i4z h LYS 74 N 1.07 0.59 -0.19 5.26 3.64 -0.89 -0.48 116.57 125.57 1i4z h LYS 74 Ca 0.26 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 1i4z h LYS 74 Cb 0.14 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1i4z h LYS 74 CO -0.03 0.78 -0.35 0.87 -2.27 0.00 0.00 179.45 178.46 1i4z h LYS 75 N 0.51 0.40 0.28 1.90 1.57 -0.57 -0.59 116.57 120.08 1i4z h LYS 75 Ca 0.07 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1i4z h LYS 75 Cb 0.70 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1i4z h LYS 75 CO 0.05 0.70 -0.14 0.93 -0.57 0.00 0.00 179.45 180.43 1i4z h GLU 76 N 0.34 -0.36 -0.92 3.15 4.39 -0.76 -2.56 114.58 117.86 1i4z h GLU 76 Ca 0.04 0.02 0.22 0.00 0.34 0.00 0.00 59.36 59.99 1i4z h GLU 76 Cb 0.77 0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 29.38 1i4z h GLU 76 CO 0.06 -0.06 0.44 0.45 -1.16 0.00 0.00 179.01 178.73 1i4z h HIS 77 N -0.67 0.73 -0.17 4.33 3.86 -0.84 0.14 115.15 122.53 1i4z h HIS 77 Ca -0.04 0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1i4z h HIS 77 Cb 0.47 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1i4z h HIS 77 CO 0.02 -0.01 -0.25 0.93 0.86 0.00 0.00 177.93 179.48 1i4z h GLU 78 N 0.45 0.30 -0.51 2.45 5.08 -0.98 -2.67 114.58 118.71 1i4z h GLU 78 Ca 0.57 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 1i4z h GLU 78 Cb 1.08 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1i4z h GLU 78 CO -0.51 0.54 0.31 1.15 -1.00 0.00 0.00 179.01 179.50 1i4z h THR 79 N 0.27 1.15 0.18 1.13 2.02 -0.30 -0.92 112.91 116.45 1i4z h THR 79 Ca 0.04 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1i4z h THR 79 Cb 0.59 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1i4z h THR 79 CO 0.04 0.15 -0.09 0.15 0.37 0.00 0.00 175.52 176.15 1i4z h PHE 80 N 0.68 -0.23 -0.94 3.16 3.57 -1.40 -2.11 116.94 119.68 1i4z h PHE 80 Ca 0.18 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.83 1i4z h PHE 80 Cb -0.02 0.07 -0.10 0.00 2.79 0.00 0.00 35.95 38.69 1i4z h PHE 80 CO -0.03 0.13 0.54 0.82 -2.23 0.00 0.00 178.31 177.54 1i4z h ILE 81 N -0.61 0.77 -0.52 1.41 1.08 -1.43 0.00 117.51 118.20 1i4z h ILE 81 Ca -0.02 -0.26 -0.09 0.00 -0.39 0.00 0.00 64.86 64.10 1i4z h ILE 81 Cb 0.45 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.12 1i4z h ILE 81 CO 0.04 0.14 -0.02 -0.74 -0.69 0.00 0.00 178.15 176.88 1i4z h HIS 82 N 0.76 0.97 -0.35 1.37 2.76 -1.06 0.18 115.15 119.78 1i4z h HIS 82 Ca 0.51 -0.16 -0.12 0.00 -2.20 0.00 0.00 60.37 58.41 1i4z h HIS 82 Cb 0.70 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1i4z h HIS 82 CO -0.04 0.89 -0.27 0.00 -1.30 0.00 0.00 177.93 177.21 1i4z h ALA 83 N 1.15 0.88 -0.16 5.26 0.00 -0.45 -0.25 119.26 125.69 1i4z h ALA 83 Ca 0.15 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1i4z h ALA 83 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1i4z h ALA 83 CO 0.03 0.63 -0.40 -0.07 0.00 0.00 0.00 179.25 179.44 1i4z h LEU 84 N 0.61 0.37 0.00 0.00 4.07 -0.56 -1.35 115.31 118.45 1i4z h LEU 84 Ca 0.08 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1i4z h LEU 84 Cb 0.77 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.41 1i4z h LEU 84 CO 0.06 0.74 -0.13 0.47 -1.08 0.00 0.00 178.44 178.50 1i4z n ASP 85 N -4.03 0.50 -3.17 -0.43 10.43 0.58 -3.80 116.55 116.64 1i4z n ASP 85 Ca -0.01 0.41 -0.21 0.00 2.57 0.00 0.00 54.79 57.55 1i4z n ASP 85 Cb 0.48 -0.47 -0.04 0.00 1.84 0.00 0.00 41.12 42.93 1i4z n ASP 85 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1i4z n ASN 86 N -1.92 1.36 -4.72 -2.24 3.02 -0.13 -5.06 115.26 105.58 1i4z n ASN 86 Ca 0.06 -3.06 -0.42 0.00 -0.03 0.00 0.00 54.58 51.13 1i4z n ASN 86 Cb 0.39 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 1i4z n ASN 86 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1i4z s TRP 87 N -2.30 3.29 -0.48 3.10 -0.00 -0.55 -4.74 118.94 117.27 1i4z s TRP 87 Ca 0.40 1.06 0.06 0.00 -0.00 0.00 0.00 56.10 57.62 1i4z s TRP 87 Cb 0.29 -3.61 0.18 0.00 -0.00 0.00 0.00 33.47 30.32 1i4z s TRP 87 CO -0.09 -2.08 1.14 0.36 -0.00 0.00 0.00 176.95 176.28 1i4z n LYS 88 N 3.85 2.90 -0.88 5.86 -0.00 -1.26 -4.98 118.16 123.65 1i4z n LYS 88 Ca 0.10 -1.84 0.00 0.00 -0.00 0.00 0.00 58.31 56.57 1i4z n LYS 88 Cb 0.43 -1.17 0.00 0.00 -0.00 0.00 0.00 35.03 34.29 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 -0.00 0.87 3.39 2.58 0.00 -1.26 -4.95 105.19 105.81 1i4z n GLY 89 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 3.37 0.27 1.61 4.64 -1.26 -4.74 116.55 120.44 1i4z n ASP 90 Ca 0.00 -2.75 0.17 0.00 -1.38 0.00 0.00 54.79 50.83 1i4z n ASP 90 Cb 0.00 -1.58 0.68 0.00 -1.04 0.00 0.00 41.12 39.17 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 5.45 0.00 0.01 5.18 3.04 -1.94 -2.87 116.25 125.13 1i4z h VAL 91 Ca 0.34 -0.50 -0.09 0.00 -1.01 0.00 0.00 66.70 65.45 1i4z h VAL 91 Cb 0.83 1.48 0.01 0.00 -2.01 0.00 0.00 31.29 31.61 1i4z h VAL 91 CO 1.51 0.00 -0.34 0.11 -1.01 0.00 0.00 177.57 177.84 1i4z h LYS 92 N 0.00 0.21 -0.46 4.17 1.57 -2.01 -2.99 116.57 117.07 1i4z h LYS 92 Ca 0.00 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1i4z h LYS 92 Cb 0.51 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1i4z h LYS 92 CO 0.00 0.98 0.28 2.35 -0.57 0.00 0.00 179.45 182.49 1i4z h TRP 93 N -0.45 0.59 -0.20 -1.35 7.01 -1.96 -2.75 115.95 116.84 1i4z h TRP 93 Ca -0.05 0.01 -0.14 0.00 2.11 0.00 0.00 58.89 60.82 1i4z h TRP 93 Cb 1.11 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 1i4z h TRP 93 CO 0.18 0.40 -0.45 0.00 -2.79 0.00 0.00 178.44 175.78 1i4z h ALA 94 N 1.68 0.84 -0.50 2.65 0.00 -1.54 -2.17 119.26 120.22 1i4z h ALA 94 Ca 0.17 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1i4z h ALA 94 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1i4z h ALA 94 CO -0.03 0.65 -0.03 0.87 0.00 0.00 0.00 179.25 180.71 1i4z h LYS 95 N 0.41 0.90 -0.02 0.00 1.57 -1.33 -2.85 116.57 115.26 1i4z h LYS 95 Ca 0.03 -0.30 -0.12 0.00 -1.87 0.00 0.00 60.65 58.38 1i4z h LYS 95 Cb 0.95 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.20 1i4z h LYS 95 CO 0.08 0.95 -0.47 0.66 -0.57 0.00 0.00 179.45 180.10 1i4z h SER 96 N 0.76 0.44 -0.77 0.86 4.64 -1.52 -2.77 113.55 115.20 1i4z h SER 96 Ca 0.14 -0.74 0.15 0.00 -0.47 0.00 0.00 61.79 60.87 1i4z h SER 96 Cb 0.56 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 62.42 1i4z h SER 96 CO 0.03 1.12 0.30 -0.25 -0.87 0.00 0.00 176.83 177.17 1i4z h TRP 97 N -0.20 0.51 0.00 4.77 7.01 -1.45 0.43 115.95 127.04 1i4z h TRP 97 Ca -0.05 0.04 -0.24 0.00 2.11 0.00 0.00 58.89 60.74 1i4z h TRP 97 Cb 1.18 -0.11 0.01 0.00 -2.10 0.00 0.00 29.16 28.14 1i4z h TRP 97 CO 0.15 0.05 -0.99 -0.92 -2.79 0.00 0.00 178.44 173.94 1i4z h TYR 98 N 0.43 0.78 -0.41 2.65 3.20 -1.57 0.37 116.97 122.42 1i4z h TYR 98 Ca 0.43 -0.43 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 1i4z h TYR 98 Cb 0.67 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1i4z h TYR 98 CO -0.17 1.25 -0.16 0.28 -1.64 0.00 0.00 178.16 177.73 1i4z h VAL 99 N 0.29 1.28 0.00 1.81 2.07 -1.10 -2.66 116.25 117.95 1i4z h VAL 99 Ca -0.10 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1i4z h VAL 99 Cb 1.63 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1i4z h VAL 99 CO 0.18 0.43 0.00 0.78 0.02 0.00 0.00 177.57 178.98 1i4z h ASN 100 N 0.64 0.00 -0.01 0.57 2.35 -0.16 -1.95 115.58 117.02 1i4z h ASN 100 Ca 0.10 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 1i4z h ASN 100 Cb 0.70 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.08 1i4z h ASN 100 CO 0.05 0.00 -0.38 -0.74 -1.65 0.00 0.00 177.43 174.71 1i4z h HIS 101 N 0.00 0.39 -0.17 1.19 2.76 -0.57 -2.56 115.15 116.19 1i4z h HIS 101 Ca 0.00 -0.21 -0.14 0.00 -2.20 0.00 0.00 60.37 57.82 1i4z h HIS 101 Cb 0.58 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.50 1i4z h HIS 101 CO 0.00 1.01 -0.46 0.97 -1.30 0.00 0.00 177.93 178.16 1i4z h ILE 102 N -0.34 1.33 0.00 6.26 2.10 -1.47 0.02 117.51 125.41 1i4z h ILE 102 Ca -0.05 -1.71 -0.08 0.00 1.08 0.00 0.00 64.86 64.11 1i4z h ILE 102 Cb 1.11 1.95 -0.01 0.00 -1.09 0.00 0.00 36.82 38.78 1i4z h ILE 102 CO 0.07 0.53 -0.37 0.11 -1.08 0.00 0.00 178.15 177.41 1i4z h LYS 103 N 0.28 0.00 0.00 2.19 1.57 -1.46 -1.46 116.57 117.68 1i4z h LYS 103 Ca -0.01 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 1i4z h LYS 103 Cb 1.07 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 1i4z h LYS 103 CO 0.10 0.37 -1.85 0.25 -0.57 0.00 0.00 179.45 177.76 1i4z n THR 104 N -4.02 0.84 -0.07 -0.16 -2.24 -0.97 -4.51 114.28 103.15 1i4z n THR 104 Ca -0.02 -0.27 -0.20 0.00 -2.27 0.00 0.00 64.05 61.29 1i4z n THR 104 Cb 0.42 -1.37 -0.12 0.00 -2.10 0.00 0.00 70.33 67.16 1i4z n THR 104 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1i4z h ILE 105 N -0.28 1.06 -0.46 2.28 1.08 -1.30 -3.35 117.51 116.54 1i4z h ILE 105 Ca -0.36 -2.25 -0.06 0.00 -0.39 0.00 0.00 64.86 61.80 1i4z h ILE 105 Cb 1.42 2.52 -0.02 0.00 -3.07 0.00 0.00 36.82 37.67 1i4z h ILE 105 CO -0.15 0.47 0.05 0.44 -0.69 0.00 0.00 178.15 178.27 1i4z h ASP 106 N -0.81 0.69 0.14 1.72 3.32 -1.05 -2.50 116.42 117.94 1i4z h ASP 106 Ca -0.29 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1i4z h ASP 106 Cb 1.38 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1i4z h ASP 106 CO -0.11 0.73 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.86 1i4z h PHE 107 N 0.70 0.00 0.00 4.55 0.05 -1.45 -2.37 116.94 118.42 1i4z h PHE 107 Ca 0.15 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.88 1i4z h PHE 107 Cb 0.36 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.30 1i4z h PHE 107 CO 0.02 0.02 -0.25 0.87 -0.18 0.00 0.00 178.31 178.78 1i4z h LYS 108 N 0.00 0.00 -0.18 1.51 1.79 -1.57 -2.84 116.57 115.27 1i4z h LYS 108 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1i4z h LYS 108 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 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 -3.47 0.23 -1.85 -1.35 0.18 -0.89 -4.86 117.16 105.16 1i4z n TYR 109 Ca -0.00 -0.12 -0.42 0.00 1.88 0.00 0.00 57.90 59.24 1i4z n TYR 109 Cb 0.42 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.35 1i4z n TYR 109 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1i4z s LYS 110 N -1.77 4.18 -1.41 -3.48 1.02 -1.08 -1.82 119.74 115.38 1i4z s LYS 110 Ca 0.27 2.45 0.00 0.00 0.02 0.00 0.00 55.97 58.72 1i4z s LYS 110 Cb 0.14 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1i4z s LYS 110 CO 0.21 -0.72 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 1i4z n GLY 111 N 3.96 1.36 0.00 -3.33 0.00 -1.26 -4.83 105.19 101.08 1i4z n GLY 111 Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.60 3.87 0.00 1.61 5.02 -0.76 -5.25 118.16 120.05 1i4z n LYS 112 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1i4z n LYS 112 Cb 0.45 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 1i4z n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32