#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 3.21 0.16 1.61 0.08 -1.26 -5.09 117.98 116.68 1i4z s PHE 2 Ca 0.00 0.13 -0.30 0.00 0.12 0.00 0.00 56.93 56.88 1i4z s PHE 2 Cb 0.00 -1.68 -0.08 0.00 -0.57 0.00 0.00 43.02 40.69 1i4z s PHE 2 CO 0.00 0.52 1.31 -1.25 -0.10 0.00 0.00 175.22 175.70 1i4z s PRO 3 N -1.94 4.39 -0.34 0.24 0.04 -1.26 -4.91 135.00 131.21 1i4z s PRO 3 Ca 0.25 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 1i4z s PRO 3 Cb -0.12 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.21 1i4z s PRO 3 CO 0.16 -0.28 1.11 0.42 0.04 0.00 0.00 177.00 178.44 1i4z s ILE 4 N 0.47 4.43 0.91 0.56 -1.09 -1.26 -5.01 121.20 120.21 1i4z s ILE 4 Ca 0.59 1.62 -0.13 0.00 -2.23 0.00 0.00 60.65 60.49 1i4z s ILE 4 Cb -0.35 -4.43 0.03 0.00 -1.58 0.00 0.00 42.46 36.13 1i4z s ILE 4 CO 0.35 -0.57 0.45 -2.65 -1.23 0.00 0.00 174.94 171.29 1i4z n PRO 5 N 7.07 -0.19 -3.30 2.79 -0.02 -1.26 -4.99 135.00 135.10 1i4z n PRO 5 Ca 0.12 -0.01 -0.04 0.00 -2.02 0.00 0.00 63.50 61.55 1i4z n PRO 5 Cb 0.47 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 32.02 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 -1.94 -0.40 0.57 2.55 -1.08 -1.26 -3.59 116.67 111.52 1i4z s ASP 6 Ca 0.59 0.52 -0.19 0.00 -0.52 0.00 0.00 52.55 52.95 1i4z s ASP 6 Cb -0.23 1.53 -0.04 0.00 -1.46 0.00 0.00 42.92 42.71 1i4z s ASP 6 CO 0.66 -0.28 1.18 -2.16 0.52 0.00 0.00 175.17 175.09 1i4z s PRO 7 N 2.67 3.13 -0.80 4.34 0.04 -1.26 -5.02 135.00 138.09 1i4z s PRO 7 Ca 0.15 1.77 -0.26 0.00 0.04 0.00 0.00 61.00 62.70 1i4z s PRO 7 Cb -0.15 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 1i4z s PRO 7 CO -0.18 -1.07 2.30 -0.47 0.04 0.00 0.00 177.00 177.63 1i4z s TYR 8 N -1.64 1.29 -0.01 0.56 6.14 -1.24 -4.83 117.35 117.61 1i4z s TYR 8 Ca 0.75 1.67 -0.03 0.00 0.64 0.00 0.00 57.07 60.11 1i4z s TYR 8 Cb -0.28 -3.58 0.00 0.00 0.42 0.00 0.00 41.96 38.52 1i4z s TYR 8 CO 0.31 -1.64 0.06 0.08 0.64 0.00 0.00 175.55 175.00 1i4z s VAL 9 N 13.64 0.04 0.50 3.14 1.01 -1.26 -4.52 120.40 132.95 1i4z s VAL 9 Ca 0.87 -0.32 -0.23 0.00 0.00 0.00 0.00 61.98 62.30 1i4z s VAL 9 Cb -0.12 -0.20 -0.06 0.00 0.00 0.00 0.00 36.38 36.00 1i4z s VAL 9 CO 0.07 -0.17 1.38 0.86 0.00 0.00 0.00 175.10 177.23 1i4z s TRP 10 N -0.53 2.38 0.04 5.22 -0.00 -1.26 -4.91 118.94 119.87 1i4z s TRP 10 Ca -0.06 1.33 -0.01 0.00 -0.00 0.00 0.00 56.10 57.36 1i4z s TRP 10 Cb -0.04 -3.84 -0.03 0.00 -0.00 0.00 0.00 33.47 29.57 1i4z s TRP 10 CO 0.00 -2.87 -0.01 0.16 -0.00 0.00 0.00 176.95 174.24 1i4z s ASP 11 N -0.77 0.34 0.65 5.86 1.47 -1.26 -5.05 116.67 117.91 1i4z s ASP 11 Ca 0.67 -0.73 0.21 0.00 1.18 0.00 0.00 52.55 53.88 1i4z s ASP 11 Cb -0.41 0.17 1.09 0.00 -0.34 0.00 0.00 42.92 43.42 1i4z s ASP 11 CO 0.51 -0.47 1.60 -0.65 0.68 0.00 0.00 175.17 176.84 1i4z h PRO 12 N 3.81 0.00 0.00 2.11 0.11 -2.02 0.38 132.00 136.39 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 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1i4z h PRO 12 CO 0.54 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.99 1i4z h SER 13 N 0.00 0.00 -0.05 -2.05 4.64 -2.01 -1.66 113.55 112.41 1i4z h SER 13 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1i4z h SER 13 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1i4z h SER 13 CO -0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 1i4z n PHE 14 N -2.41 0.06 -1.72 4.77 3.01 0.13 -4.95 117.46 116.35 1i4z n PHE 14 Ca 0.00 -0.03 -0.43 0.00 1.01 0.00 0.00 57.45 58.01 1i4z n PHE 14 Cb 0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.61 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 -0.09 2.49 0.00 -1.08 1.74 -0.63 -4.88 116.66 114.21 1i4z n ARG 15 Ca 0.19 0.89 0.06 0.00 -0.77 0.00 0.00 57.85 58.21 1i4z n ARG 15 Cb 0.28 -2.64 -0.06 0.00 -1.02 0.00 0.00 32.46 29.01 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 2.35 0.00 -1.06 0.55 -2.24 -1.26 -4.97 114.28 107.65 1i4z n THR 16 Ca 0.11 -0.23 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 1i4z n THR 16 Cb 0.35 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.13 0.00 -3.74 4.78 3.72 -1.26 -4.73 117.46 115.10 1i4z n PHE 17 Ca 0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.06 1i4z n PHE 17 Cb 0.21 -0.82 -0.11 0.00 -0.94 0.00 0.00 39.48 37.82 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 -1.89 3.44 0.20 1.38 2.02 -1.26 -5.02 117.35 116.21 1i4z s TYR 18 Ca 0.00 -2.00 -0.20 0.00 -0.37 0.00 0.00 57.07 54.50 1i4z s TYR 18 Cb 0.00 -2.90 0.14 0.00 -0.40 0.00 0.00 41.96 38.80 1i4z s TYR 18 CO 0.00 -0.90 1.58 0.77 -1.57 0.00 0.00 175.55 175.43 1i4z h SER 19 N 8.16 -1.23 -0.28 2.29 0.02 -1.98 0.23 113.55 120.77 1i4z h SER 19 Ca -0.18 0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1i4z h SER 19 Cb 1.06 0.62 -0.01 0.00 0.14 0.00 0.00 62.40 64.21 1i4z h SER 19 CO 0.68 -0.30 0.06 0.40 -1.14 0.00 0.00 176.83 176.54 1i4z h ILE 20 N -0.13 1.22 -0.93 3.27 1.08 -1.99 0.12 117.51 120.14 1i4z h ILE 20 Ca 0.25 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 1i4z h ILE 20 Cb 0.56 1.16 -0.05 0.00 -3.07 0.00 0.00 36.82 35.43 1i4z h ILE 20 CO -0.75 0.24 0.60 0.40 -0.69 0.00 0.00 178.15 177.95 1i4z h ILE 21 N 0.29 1.25 -0.42 -0.67 2.04 -1.91 -1.03 117.51 117.05 1i4z h ILE 21 Ca 0.09 -0.48 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 1i4z h ILE 21 Cb 0.30 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1i4z h ILE 21 CO 0.00 0.25 -0.14 0.44 0.00 0.00 0.00 178.15 178.69 1i4z h ASP 22 N 1.27 0.77 -0.37 1.72 3.32 -0.11 -2.38 116.42 120.64 1i4z h ASP 22 Ca 0.34 -0.24 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 1i4z h ASP 22 Cb -0.11 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1i4z h ASP 22 CO -0.07 0.92 -0.37 0.44 -1.72 0.00 0.00 179.24 178.44 1i4z h ASP 23 N 0.69 0.98 -0.09 6.45 3.45 -0.40 -2.97 116.42 124.53 1i4z h ASP 23 Ca 0.11 -0.44 -0.06 0.00 0.43 0.00 0.00 57.03 57.07 1i4z h ASP 23 Cb 0.63 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 1i4z h ASP 23 CO 0.04 1.23 -0.11 -0.33 -1.57 0.00 0.00 179.24 178.51 1i4z h GLU 24 N 0.75 0.40 -0.57 3.56 5.08 -1.03 -2.73 114.58 120.06 1i4z h GLU 24 Ca 0.06 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1i4z h GLU 24 Cb 0.96 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1i4z h GLU 24 CO 0.09 0.52 0.01 0.45 -1.00 0.00 0.00 179.01 179.07 1i4z h HIS 25 N 0.38 1.08 -0.18 4.33 3.86 -1.35 -1.17 115.15 122.10 1i4z h HIS 25 Ca 0.07 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1i4z h HIS 25 Cb 0.42 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1i4z h HIS 25 CO 0.01 0.97 0.10 0.87 0.86 0.00 0.00 177.93 180.74 1i4z h LYS 26 N 0.88 0.24 0.05 2.45 1.57 -1.33 0.13 116.57 120.56 1i4z h LYS 26 Ca 0.16 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.67 1i4z h LYS 26 Cb 0.54 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.81 1i4z h LYS 26 CO 0.03 0.18 -1.02 1.79 -0.57 0.00 0.00 179.45 179.85 1i4z h THR 27 N 0.25 1.32 -0.42 -0.16 1.35 -1.30 -2.67 112.91 111.27 1i4z h THR 27 Ca 0.07 -2.30 -0.06 0.00 -0.55 0.00 0.00 66.41 63.56 1i4z h THR 27 Cb 0.00 2.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.97 1i4z h THR 27 CO -0.01 0.70 -0.00 -0.07 -0.25 0.00 0.00 175.52 175.88 1i4z h LEU 28 N 0.23 0.65 -0.19 3.87 3.38 -0.49 -1.31 115.31 121.45 1i4z h LEU 28 Ca -0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1i4z h LEU 28 Cb 1.70 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1i4z h LEU 28 CO 0.20 0.72 0.08 -0.26 0.09 0.00 0.00 178.44 179.27 1i4z h PHE 29 N 0.64 0.28 -0.99 1.13 -1.00 -0.82 -1.82 116.94 114.36 1i4z h PHE 29 Ca 0.13 -0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.99 1i4z h PHE 29 Cb 0.41 -0.09 -0.08 0.00 3.61 0.00 0.00 35.95 39.80 1i4z h PHE 29 CO 0.02 0.32 0.63 -0.97 -1.61 0.00 0.00 178.31 176.70 1i4z h ASN 30 N 0.16 0.95 0.17 2.17 -1.24 -1.14 0.30 115.58 116.95 1i4z h ASN 30 Ca 0.06 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.12 1i4z h ASN 30 Cb 0.16 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1i4z h ASN 30 CO -0.01 0.54 -0.21 1.23 -1.29 0.00 0.00 177.43 177.70 1i4z h GLY 31 N 1.05 -0.42 2.00 1.57 0.00 -0.46 -2.03 103.07 104.77 1i4z h GLY 31 Ca 0.47 0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.95 1i4z h GLY 31 CO -0.23 -0.20 -0.41 1.19 0.00 0.00 0.00 176.54 176.89 1i4z h ILE 32 N -0.43 1.27 -0.41 2.60 6.09 -0.85 -2.59 117.51 123.19 1i4z h ILE 32 Ca 0.01 -1.42 0.07 0.00 -1.37 0.00 0.00 64.86 62.15 1i4z h ILE 32 Cb 0.42 1.77 -0.06 0.00 0.47 0.00 0.00 36.82 39.42 1i4z h ILE 32 CO -0.08 0.40 0.04 0.15 -3.07 0.00 0.00 178.15 175.59 1i4z h PHE 33 N 0.00 0.04 0.01 2.19 3.57 -0.29 -1.26 116.94 121.19 1i4z h PHE 33 Ca -0.00 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 1i4z h PHE 33 Cb 0.74 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 1i4z h PHE 33 CO 0.00 -0.04 -0.90 0.45 -2.23 0.00 0.00 178.31 175.59 1i4z h HIS 34 N 0.15 0.07 0.00 0.41 3.86 -1.26 -3.05 115.15 115.33 1i4z h HIS 34 Ca 0.20 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 1i4z h HIS 34 Cb 0.28 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 1i4z h HIS 34 CO -0.24 0.91 -0.14 1.25 0.86 0.00 0.00 177.93 180.57 1i4z h LEU 35 N 0.02 0.00 0.01 2.43 7.12 -1.11 0.43 115.31 124.21 1i4z h LEU 35 Ca -0.02 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.82 1i4z h LEU 35 Cb 1.57 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.71 1i4z h LEU 35 CO 0.12 0.14 -0.68 0.00 -0.13 0.00 0.00 178.44 177.89 1i4z h ALA 36 N 1.86 0.07 -0.19 1.25 0.00 -1.16 -2.99 119.26 118.10 1i4z h ALA 36 Ca -0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 1i4z h ALA 36 Cb 0.46 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1i4z h ALA 36 CO 0.02 0.40 -0.05 0.82 0.00 0.00 0.00 179.25 180.44 1i4z h ILE 37 N -0.06 1.29 -2.70 0.00 2.04 -1.28 -3.41 117.51 113.38 1i4z h ILE 37 Ca -0.09 -1.02 -0.45 0.00 1.00 0.00 0.00 64.86 64.31 1i4z h ILE 37 Cb 1.39 1.57 -0.38 0.00 -0.74 0.00 0.00 36.82 38.66 1i4z h ILE 37 CO 0.13 0.31 -0.73 -0.62 0.00 0.00 0.00 178.15 177.24 1i4z s ASP 38 N -5.95 2.62 0.00 1.72 -1.08 0.08 -5.03 116.67 109.03 1i4z s ASP 38 Ca -0.14 -0.89 0.00 0.00 -0.52 0.00 0.00 52.55 51.01 1i4z s ASP 38 Cb 0.06 -0.07 0.00 0.00 -1.46 0.00 0.00 42.92 41.45 1i4z s ASP 38 CO 0.74 -0.39 0.35 -0.67 0.52 0.00 0.00 175.17 175.71 1i4z n ASP 39 N 5.28 0.22 -4.50 -0.34 4.64 -1.13 -4.28 116.55 116.44 1i4z n ASP 39 Ca -0.05 -0.91 -0.28 0.00 -1.38 0.00 0.00 54.79 52.16 1i4z n ASP 39 Cb 0.45 -0.11 0.25 0.00 -1.04 0.00 0.00 41.12 40.67 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 -1.07 1.05 0.33 1.67 6.03 -1.26 -4.75 114.94 116.94 1i4z s ASN 40 Ca 0.00 1.45 0.05 0.00 -1.03 0.00 0.00 52.86 53.33 1i4z s ASN 40 Cb 0.00 -2.24 0.57 0.00 -3.03 0.00 0.00 41.25 36.55 1i4z s ASN 40 CO 0.00 -4.15 1.83 0.00 -2.03 0.00 0.00 177.10 172.75 1i4z h ALA 41 N -2.59 1.30 0.85 3.54 0.00 -1.99 -1.68 119.26 118.70 1i4z h ALA 41 Ca -0.61 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.00 1i4z h ALA 41 Cb 1.34 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1i4z h ALA 41 CO 0.51 0.46 -0.41 -0.44 0.00 0.00 0.00 179.25 179.38 1i4z h ASP 42 N 0.42 -0.97 -0.83 0.00 5.19 -1.95 -1.41 116.42 116.87 1i4z h ASP 42 Ca 0.08 0.03 0.07 0.00 -0.62 0.00 0.00 57.03 56.59 1i4z h ASP 42 Cb 0.45 0.25 -0.05 0.00 0.18 0.00 0.00 39.33 40.16 1i4z h ASP 42 CO 0.03 -0.65 0.54 0.78 -3.12 0.00 0.00 179.24 176.82 1i4z h ASN 43 N -1.22 0.78 -0.15 6.45 2.35 -1.83 -1.82 115.58 120.14 1i4z h ASN 43 Ca -0.12 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1i4z h ASN 43 Cb 0.88 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 1i4z h ASN 43 CO 0.19 0.49 -0.03 0.25 -1.65 0.00 0.00 177.43 176.69 1i4z h LEU 44 N 0.88 0.29 -1.11 1.61 5.85 -1.24 -2.12 115.31 119.48 1i4z h LEU 44 Ca 0.37 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1i4z h LEU 44 Cb 0.28 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1i4z h LEU 44 CO -0.14 0.58 0.25 1.23 -0.34 0.00 0.00 178.44 180.02 1i4z h GLY 45 N -0.01 0.94 0.96 3.75 0.00 -1.02 0.29 103.07 107.99 1i4z h GLY 45 Ca 0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1i4z h GLY 45 CO 0.01 0.45 0.20 -2.09 0.00 0.00 0.00 176.54 175.11 1i4z h GLU 46 N 0.87 0.52 0.20 4.80 4.57 -1.24 -0.90 114.58 123.40 1i4z h GLU 46 Ca 0.21 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1i4z h GLU 46 Cb 0.16 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1i4z h GLU 46 CO -0.02 0.43 -0.10 1.25 -1.18 0.00 0.00 179.01 179.39 1i4z h LEU 47 N 0.47 -0.23 -1.05 1.64 5.85 -0.86 -2.45 115.31 118.68 1i4z h LEU 47 Ca 0.13 -0.08 0.17 0.00 0.84 0.00 0.00 57.88 58.94 1i4z h LEU 47 Cb 0.06 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.06 1i4z h LEU 47 CO -0.02 -0.06 0.62 -0.09 -0.34 0.00 0.00 178.44 178.54 1i4z h ARG 48 N -0.39 0.78 0.16 1.25 9.65 -0.26 0.49 114.38 126.06 1i4z h ARG 48 Ca -0.03 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1i4z h ARG 48 Cb 0.30 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1i4z h ARG 48 CO 0.05 0.52 -0.08 -0.09 2.80 0.00 0.00 179.97 183.16 1i4z h ARG 49 N 0.80 -0.21 -0.05 0.20 2.43 -1.08 0.26 114.38 116.73 1i4z h ARG 49 Ca 0.55 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.70 1i4z h ARG 49 Cb 0.81 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1i4z h ARG 49 CO -0.33 0.18 -0.10 0.00 -1.51 0.00 0.00 179.97 178.21 1i4z h THR 51 N 0.08 1.59 -0.93 0.00 2.02 0.03 -1.27 112.91 114.43 1i4z h THR 51 Ca 0.02 -1.76 0.02 0.00 0.77 0.00 0.00 66.41 65.46 1i4z h THR 51 Cb 0.23 2.79 -0.05 0.00 -1.74 0.00 0.00 68.15 69.38 1i4z h THR 51 CO 0.01 0.46 0.61 1.23 0.37 0.00 0.00 175.52 178.20 1i4z h GLY 52 N -0.75 1.34 0.71 2.16 0.00 -0.08 -0.37 103.07 106.08 1i4z h GLY 52 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1i4z h GLY 52 CO 0.00 0.44 -0.10 1.70 0.00 0.00 0.00 176.54 178.59 1i4z h LYS 53 N 1.23 0.29 -0.59 4.80 3.64 -0.20 -2.94 116.57 122.79 1i4z h LYS 53 Ca 0.36 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1i4z h LYS 53 Cb -0.08 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1i4z h LYS 53 CO -0.10 0.66 0.09 1.25 -2.27 0.00 0.00 179.45 179.09 1i4z h HIS 54 N -0.08 1.05 -0.54 1.91 2.76 -1.07 -1.37 115.15 117.80 1i4z h HIS 54 Ca 0.02 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 58.02 1i4z h HIS 54 Cb 0.60 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 1i4z h HIS 54 CO 0.08 0.91 0.23 0.74 -1.30 0.00 0.00 177.93 178.58 1i4z h PHE 55 N 0.89 0.77 -0.04 5.26 0.04 -1.12 -0.90 116.94 121.84 1i4z h PHE 55 Ca 0.18 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.86 1i4z h PHE 55 Cb 0.43 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1i4z h PHE 55 CO 0.03 0.59 -0.19 1.25 -0.60 0.00 0.00 178.31 179.40 1i4z h LEU 56 N 0.77 0.24 -0.88 1.54 5.85 -1.37 -1.69 115.31 119.77 1i4z h LEU 56 Ca 0.19 -0.65 0.07 0.00 0.84 0.00 0.00 57.88 58.33 1i4z h LEU 56 Cb 0.14 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 1i4z h LEU 56 CO -0.02 0.85 0.54 0.78 -0.34 0.00 0.00 178.44 180.26 1i4z h ASN 57 N -0.35 0.84 -0.29 1.25 -0.26 -1.17 0.65 115.58 116.25 1i4z h ASN 57 Ca -0.01 0.02 -0.18 0.00 -0.56 0.00 0.00 56.30 55.57 1i4z h ASN 57 Cb 0.84 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 1i4z h ASN 57 CO 0.04 0.52 -0.52 -0.08 -1.06 0.00 0.00 177.43 176.34 1i4z h GLU 58 N 0.97 0.87 -0.51 0.81 4.81 -1.19 -1.86 114.58 118.48 1i4z h GLU 58 Ca 0.39 -0.54 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1i4z h GLU 58 Cb 0.22 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1i4z h GLU 58 CO -0.19 1.18 0.19 1.96 -0.73 0.00 0.00 179.01 181.42 1i4z h GLN 59 N 0.65 0.73 -0.20 1.92 4.20 -0.44 0.63 115.11 122.61 1i4z h GLN 59 Ca 0.02 -0.11 -0.16 0.00 0.06 0.00 0.00 58.65 58.46 1i4z h GLN 59 Cb 1.13 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1i4z h GLN 59 CO 0.12 0.61 -0.54 0.28 -0.67 0.00 0.00 178.83 178.63 1i4z h VAL 60 N 0.72 1.32 -0.50 -0.54 2.07 -0.87 -0.32 116.25 118.13 1i4z h VAL 60 Ca 0.17 -1.77 0.02 0.00 0.82 0.00 0.00 66.70 65.93 1i4z h VAL 60 Cb 0.16 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1i4z h VAL 60 CO -0.01 0.55 0.31 0.25 0.02 0.00 0.00 177.57 178.69 1i4z h LEU 61 N 0.45 0.52 -0.49 2.57 7.12 -0.41 0.04 115.31 125.11 1i4z h LEU 61 Ca 0.01 -0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.87 1i4z h LEU 61 Cb 1.08 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.08 1i4z h LEU 61 CO 0.10 0.37 -0.38 0.24 -0.13 0.00 0.00 178.44 178.65 1i4z h MET 62 N 0.63 0.83 0.00 1.25 2.86 -0.82 -3.08 114.93 116.60 1i4z h MET 62 Ca 0.20 -0.43 -0.07 0.00 -2.06 0.00 0.00 59.70 57.34 1i4z h MET 62 Cb -0.02 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1i4z h MET 62 CO -0.07 1.06 -0.35 1.96 1.06 0.00 0.00 176.91 180.58 1i4z h GLN 63 N 0.68 0.00 0.00 1.72 4.20 -0.45 -0.00 115.11 121.26 1i4z h GLN 63 Ca 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1i4z h GLN 63 Cb 0.94 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 1i4z h GLN 63 CO 0.09 0.35 -0.00 0.00 -0.67 0.00 0.00 178.83 178.59 1i4z h ALA 64 N 1.65 1.02 0.00 3.87 0.00 -0.91 -1.99 119.26 122.90 1i4z h ALA 64 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i4z h ALA 64 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1i4z h ALA 64 CO 0.04 0.01 -0.00 0.43 0.00 0.00 0.00 179.25 179.73 1i4z n SER 65 N -3.11 2.06 -3.80 0.00 7.64 -1.18 -5.00 113.62 110.23 1i4z n SER 65 Ca -0.02 -2.34 -0.27 0.00 1.01 0.00 0.00 58.87 57.25 1i4z n SER 65 Cb 0.16 -0.14 0.01 0.00 -1.01 0.00 0.00 64.21 63.23 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 -0.80 -2.82 -1.54 1.43 6.02 -0.75 -4.84 117.38 114.08 1i4z n GLN 66 Ca 0.05 0.47 -0.47 0.00 -0.01 0.00 0.00 57.00 57.04 1i4z n GLN 66 Cb 0.39 -4.51 -0.03 0.00 1.02 0.00 0.00 30.24 27.11 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 -4.29 0.86 -0.04 1.08 -0.00 -0.03 -4.89 117.16 109.85 1i4z n TYR 67 Ca -0.23 0.77 -0.07 0.00 -0.00 0.00 0.00 57.90 58.37 1i4z n TYR 67 Cb 0.65 -2.19 0.10 0.00 -0.00 0.00 0.00 39.34 37.90 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 2.25 0.66 -1.63 2.98 4.15 -1.90 -3.25 115.11 118.36 1i4z h GLN 68 Ca -0.39 -0.30 -0.68 0.00 0.77 0.00 0.00 58.65 58.06 1i4z h GLN 68 Cb 1.37 -0.01 -0.34 0.00 0.21 0.00 0.00 27.48 28.70 1i4z h GLN 68 CO 0.63 0.90 0.21 1.19 -1.93 0.00 0.00 178.83 179.83 1i4z n PHE 69 N -4.07 3.16 0.06 3.99 3.01 -1.26 -4.66 117.46 117.69 1i4z n PHE 69 Ca -0.01 -2.69 -0.20 0.00 1.01 0.00 0.00 57.45 55.56 1i4z n PHE 69 Cb 0.48 -0.72 -0.11 0.00 -0.01 0.00 0.00 39.48 39.12 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 2.69 0.97 0.28 1.38 5.03 -1.94 -3.04 116.97 122.34 1i4z h TYR 70 Ca 0.45 -0.56 -0.01 0.00 2.58 0.00 0.00 58.73 61.19 1i4z h TYR 70 Cb 0.55 -0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.73 1i4z h TYR 70 CO 1.04 1.40 -0.17 -0.44 -1.32 0.00 0.00 178.16 178.67 1i4z h ASP 71 N 0.33 -0.42 0.12 -2.11 5.19 -1.88 0.44 116.42 118.09 1i4z h ASP 71 Ca -0.14 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.25 1i4z h ASP 71 Cb 1.77 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 41.39 1i4z h ASP 71 CO 0.21 -0.27 -0.16 1.05 -3.12 0.00 0.00 179.24 176.95 1i4z h GLU 72 N -0.43 0.10 -0.30 3.56 -0.00 -1.93 -1.81 114.58 113.77 1i4z h GLU 72 Ca -0.03 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.36 59.21 1i4z h GLU 72 Cb 0.35 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.08 1i4z h GLU 72 CO 0.03 0.27 -0.19 1.25 -0.00 0.00 0.00 179.01 180.37 1i4z h HIS 73 N 0.09 0.76 0.42 2.06 2.76 -1.28 -3.03 115.15 116.94 1i4z h HIS 73 Ca 0.02 -0.20 -0.01 0.00 -2.20 0.00 0.00 60.37 57.98 1i4z h HIS 73 Cb 0.35 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 1i4z h HIS 73 CO 0.00 0.90 -0.45 -0.22 -1.30 0.00 0.00 177.93 176.87 1i4z h LYS 74 N 0.40 -0.85 -0.97 5.26 3.64 0.67 -2.31 116.57 122.41 1i4z h LYS 74 Ca 0.06 0.06 0.25 0.00 -1.27 0.00 0.00 60.65 59.75 1i4z h LYS 74 Cb 0.73 0.19 -0.13 0.00 -0.41 0.00 0.00 32.23 32.61 1i4z h LYS 74 CO 0.05 -0.57 0.53 0.87 -2.27 0.00 0.00 179.45 178.06 1i4z h LYS 75 N -0.89 0.47 -0.38 1.90 1.57 -1.45 0.10 116.57 117.89 1i4z h LYS 75 Ca -0.04 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1i4z h LYS 75 Cb 0.79 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1i4z h LYS 75 CO -0.08 0.31 -0.05 0.93 -0.57 0.00 0.00 179.45 179.99 1i4z h GLU 76 N 0.49 0.64 -0.20 3.15 4.39 -1.30 -1.71 114.58 120.03 1i4z h GLU 76 Ca 0.63 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 60.15 1i4z h GLU 76 Cb 1.24 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1i4z h GLU 76 CO -0.51 0.69 0.07 0.45 -1.16 0.00 0.00 179.01 178.55 1i4z h HIS 77 N 0.59 0.32 -0.38 4.33 3.86 -0.38 -2.92 115.15 120.58 1i4z h HIS 77 Ca 0.11 -0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.35 1i4z h HIS 77 Cb 0.46 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1i4z h HIS 77 CO 0.02 0.40 0.26 0.93 0.86 0.00 0.00 177.93 180.39 1i4z h GLU 78 N 0.16 0.27 -0.11 2.45 5.08 -1.03 -1.43 114.58 119.97 1i4z h GLU 78 Ca 0.07 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1i4z h GLU 78 Cb 0.22 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1i4z h GLU 78 CO -0.00 0.18 0.02 1.79 -1.00 0.00 0.00 179.01 180.00 1i4z h THR 79 N 0.28 1.20 0.00 1.13 1.35 -1.13 -1.10 112.91 114.64 1i4z h THR 79 Ca 0.17 -0.63 -0.06 0.00 -0.55 0.00 0.00 66.41 65.33 1i4z h THR 79 Cb 0.31 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1i4z h THR 79 CO -0.03 0.18 -0.31 0.15 -0.25 0.00 0.00 175.52 175.26 1i4z h PHE 80 N -0.04 0.00 -0.02 4.73 3.57 -1.37 -1.41 116.94 122.39 1i4z h PHE 80 Ca 0.03 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.37 1i4z h PHE 80 Cb 0.26 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.02 1i4z h PHE 80 CO 0.01 0.31 -0.63 0.82 -2.23 0.00 0.00 178.31 176.58 1i4z h ILE 81 N 0.00 1.40 -0.93 1.41 1.08 -1.24 -2.33 117.51 116.89 1i4z h ILE 81 Ca -0.00 -2.04 -0.01 0.00 -0.39 0.00 0.00 64.86 62.42 1i4z h ILE 81 Cb 0.85 2.48 -0.04 0.00 -3.07 0.00 0.00 36.82 37.03 1i4z h ILE 81 CO 0.04 0.60 0.55 -0.74 -0.69 0.00 0.00 178.15 177.91 1i4z h HIS 82 N 0.01 1.23 -0.67 1.37 2.76 -1.05 0.16 115.15 118.95 1i4z h HIS 82 Ca -0.07 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 1i4z h HIS 82 Cb 1.32 -0.40 -0.03 0.00 1.55 0.00 0.00 27.41 29.85 1i4z h HIS 82 CO 0.13 0.82 0.34 0.00 -1.30 0.00 0.00 177.93 177.92 1i4z h ALA 83 N 1.30 0.86 -0.35 5.26 0.00 -1.25 0.13 119.26 125.21 1i4z h ALA 83 Ca 0.33 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1i4z h ALA 83 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1i4z h ALA 83 CO -0.06 0.41 -0.32 -0.07 0.00 0.00 0.00 179.25 179.21 1i4z h LEU 84 N 0.93 0.80 -0.64 0.00 4.07 -0.74 -1.62 115.31 118.10 1i4z h LEU 84 Ca 0.23 -0.33 -0.14 0.00 0.08 0.00 0.00 57.88 57.72 1i4z h LEU 84 Cb 0.09 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 1i4z h LEU 84 CO -0.03 1.05 -0.50 0.44 -1.08 0.00 0.00 178.44 178.32 1i4z h ASP 85 N 0.64 0.49 -2.15 -0.43 3.45 -0.33 -3.24 116.42 114.86 1i4z h ASP 85 Ca 0.07 -0.25 -0.62 0.00 0.43 0.00 0.00 57.03 56.66 1i4z h ASP 85 Cb 0.85 -0.14 -0.40 0.00 -0.56 0.00 0.00 39.33 39.09 1i4z h ASP 85 CO 0.07 0.91 -0.42 0.59 -1.57 0.00 0.00 179.24 178.83 1i4z n ASN 86 N -3.97 4.95 -4.67 6.45 3.02 0.42 -5.06 115.26 116.39 1i4z n ASN 86 Ca -0.02 -3.70 -0.42 0.00 -0.03 0.00 0.00 54.58 50.41 1i4z n ASN 86 Cb 0.57 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 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 -3.61 2.12 -1.15 3.10 -0.00 -0.62 -4.80 118.94 113.98 1i4z s TRP 87 Ca 0.48 0.19 0.17 0.00 -0.00 0.00 0.00 56.10 56.93 1i4z s TRP 87 Cb 0.29 -3.97 -0.09 0.00 -0.00 0.00 0.00 33.47 29.70 1i4z s TRP 87 CO -0.16 -4.03 0.79 0.36 -0.00 0.00 0.00 176.95 173.91 1i4z n LYS 88 N 6.42 1.62 -0.20 5.86 -0.00 -1.26 -4.99 118.16 125.62 1i4z n LYS 88 Ca 0.17 -0.40 0.00 0.00 -0.00 0.00 0.00 58.31 58.08 1i4z n LYS 88 Cb 0.42 -1.29 0.00 0.00 -0.00 0.00 0.00 35.03 34.16 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 1.29 0.89 3.57 2.58 0.00 -1.26 -5.01 105.19 107.25 1i4z n GLY 89 Ca 0.05 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1i4z n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i4z s ASP 90 N -2.07 6.74 0.51 1.61 3.68 -1.26 -4.75 116.67 121.13 1i4z s ASP 90 Ca 0.00 -2.15 0.29 0.00 2.13 0.00 0.00 52.55 52.82 1i4z s ASP 90 Cb 0.00 -2.57 1.22 0.00 -1.45 0.00 0.00 42.92 40.12 1i4z s ASP 90 CO 0.00 -1.26 1.94 1.62 0.13 0.00 0.00 175.17 177.60 1i4z h VAL 91 N 5.93 0.27 0.01 1.11 3.04 -1.95 -2.92 116.25 121.75 1i4z h VAL 91 Ca 0.36 -0.75 -0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1i4z h VAL 91 Cb 0.92 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1i4z h VAL 91 CO 1.44 0.10 -0.00 0.11 -1.01 0.00 0.00 177.57 178.20 1i4z h LYS 92 N 0.00 -0.01 -0.57 4.17 1.57 -2.01 -2.82 116.57 116.90 1i4z h LYS 92 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1i4z h LYS 92 Cb 0.58 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1i4z h LYS 92 CO 0.01 0.50 0.30 2.35 -0.57 0.00 0.00 179.45 182.05 1i4z h TRP 93 N -0.53 0.80 -0.71 -1.35 7.01 -1.97 -2.92 115.95 116.27 1i4z h TRP 93 Ca -0.00 -0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.09 1i4z h TRP 93 Cb 0.52 -0.25 -0.08 0.00 -2.10 0.00 0.00 29.16 27.25 1i4z h TRP 93 CO 0.11 0.59 0.30 0.00 -2.79 0.00 0.00 178.44 176.65 1i4z h ALA 94 N 1.13 0.98 -0.64 2.65 0.00 -1.55 0.23 119.26 122.07 1i4z h ALA 94 Ca 0.20 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1i4z h ALA 94 Cb 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1i4z h ALA 94 CO -0.03 -0.16 0.14 0.87 0.00 0.00 0.00 179.25 180.07 1i4z h LYS 95 N 0.48 1.01 0.19 0.00 1.57 -1.33 -2.82 116.57 115.67 1i4z h LYS 95 Ca 0.37 -0.24 -0.29 0.00 -1.87 0.00 0.00 60.65 58.63 1i4z h LYS 95 Cb 0.50 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 32.69 1i4z h LYS 95 CO -0.34 0.91 -1.35 0.66 -0.57 0.00 0.00 179.45 178.76 1i4z h SER 96 N 0.96 0.63 -0.30 0.86 4.64 -1.17 -3.01 113.55 116.16 1i4z h SER 96 Ca 0.20 -0.92 0.06 0.00 -0.47 0.00 0.00 61.79 60.66 1i4z h SER 96 Cb 0.37 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 62.20 1i4z h SER 96 CO 0.00 1.63 -0.06 -0.25 -0.87 0.00 0.00 176.83 177.28 1i4z h TRP 97 N -0.07 -0.14 -0.21 4.77 7.01 -0.61 0.20 115.95 126.90 1i4z h TRP 97 Ca -0.25 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.74 1i4z h TRP 97 Cb 1.95 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 29.11 1i4z h TRP 97 CO 0.14 -0.12 0.01 -0.92 -2.79 0.00 0.00 178.44 174.77 1i4z h TYR 98 N 0.01 0.38 -0.90 2.65 3.20 -1.64 0.41 116.97 121.09 1i4z h TYR 98 Ca 0.14 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1i4z h TYR 98 Cb 0.21 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 1i4z h TYR 98 CO -0.28 0.53 0.59 0.28 -1.64 0.00 0.00 178.16 177.64 1i4z h VAL 99 N 0.13 1.07 0.00 1.81 2.07 -1.33 -2.09 116.25 117.90 1i4z h VAL 99 Ca 0.06 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 1i4z h VAL 99 Cb 0.37 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1i4z h VAL 99 CO 0.01 0.19 -0.57 0.78 0.02 0.00 0.00 177.57 177.99 1i4z h ASN 100 N 1.03 0.00 0.10 0.57 2.35 -0.21 -3.01 115.58 116.40 1i4z h ASN 100 Ca 0.39 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1i4z h ASN 100 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1i4z h ASN 100 CO -0.14 0.57 -0.05 -0.74 -1.65 0.00 0.00 177.43 175.42 1i4z h HIS 101 N 0.00 -0.12 -0.01 1.19 2.76 0.47 -1.08 115.15 118.37 1i4z h HIS 101 Ca -0.01 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1i4z h HIS 101 Cb 1.41 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.40 1i4z h HIS 101 CO 0.00 0.23 -0.05 0.97 -1.30 0.00 0.00 177.93 177.77 1i4z h ILE 102 N -0.49 0.85 0.00 6.26 2.10 -1.51 0.50 117.51 125.22 1i4z h ILE 102 Ca -0.01 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.86 1i4z h ILE 102 Cb 0.40 0.85 -0.01 0.00 -1.09 0.00 0.00 36.82 36.98 1i4z h ILE 102 CO 0.02 0.00 -0.34 0.11 -1.08 0.00 0.00 178.15 176.87 1i4z h LYS 103 N -0.09 0.00 0.00 2.19 1.57 -1.56 -0.87 116.57 117.80 1i4z h LYS 103 Ca 0.03 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.55 1i4z h LYS 103 Cb 0.13 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 1i4z h LYS 103 CO -0.06 0.34 -1.96 0.25 -0.57 0.00 0.00 179.45 177.44 1i4z n THR 104 N -3.46 0.96 -0.13 -0.16 -2.24 -0.41 -4.43 114.28 104.42 1i4z n THR 104 Ca 0.00 -0.48 -0.22 0.00 -2.27 0.00 0.00 64.05 61.08 1i4z n THR 104 Cb 0.50 -0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.75 1.51 -0.07 2.28 2.08 0.16 -4.10 119.36 118.48 1i4z n ILE 105 Ca -0.26 -0.51 -0.12 0.00 0.56 0.00 0.00 62.75 62.42 1i4z n ILE 105 Cb 0.89 -1.58 -0.05 0.00 -0.75 0.00 0.00 39.64 38.14 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 -0.32 0.35 -0.80 4.38 3.32 -0.70 -2.85 116.42 119.81 1i4z h ASP 106 Ca -0.61 -0.33 0.23 0.00 0.02 0.00 0.00 57.03 56.34 1i4z h ASP 106 Cb 1.81 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 41.23 1i4z h ASP 106 CO -0.19 0.60 0.60 -0.26 -1.72 0.00 0.00 179.24 178.27 1i4z h PHE 107 N 0.10 0.00 -0.75 4.55 0.05 -1.39 0.13 116.94 119.63 1i4z h PHE 107 Ca 0.05 0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.88 1i4z h PHE 107 Cb 0.43 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 38.34 1i4z h PHE 107 CO 0.04 0.00 0.50 0.87 -0.18 0.00 0.00 178.31 179.54 1i4z h LYS 108 N 0.00 0.88 0.00 1.51 1.79 -1.65 -0.93 116.57 118.17 1i4z h LYS 108 Ca 0.38 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1i4z h LYS 108 Cb 1.59 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 1i4z h LYS 108 CO -0.00 0.58 0.00 2.48 -1.08 0.00 0.00 179.45 181.43 1i4z n TYR 109 N -4.46 0.00 -1.67 -1.35 0.18 0.46 -4.83 117.16 105.50 1i4z n TYR 109 Ca 0.10 0.00 -0.46 0.00 1.88 0.00 0.00 57.90 59.42 1i4z n TYR 109 Cb 0.13 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.05 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 -0.98 2.45 -0.99 -3.48 5.02 -0.36 -0.59 118.16 119.23 1i4z n LYS 110 Ca 0.21 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.39 1i4z n LYS 110 Cb 0.09 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.29 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 4.55 0.54 0.37 0.72 0.00 -1.26 -4.89 105.19 105.22 1i4z n GLY 111 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.48 0.44 0.00 1.61 5.02 0.24 -5.25 118.16 117.74 1i4z n LYS 112 Ca 0.00 -1.10 0.00 0.00 -2.02 0.00 0.00 58.31 55.19 1i4z n LYS 112 Cb 0.04 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1i4z n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32