#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4z n PHE 2 N 0.00 1.73 -1.77 1.61 3.72 -1.26 -4.87 117.46 116.62 1i4z n PHE 2 Ca 0.00 0.49 -0.42 0.00 -0.05 0.00 0.00 57.45 57.47 1i4z n PHE 2 Cb 0.00 -2.45 -0.03 0.00 -0.94 0.00 0.00 39.48 36.06 1i4z n PHE 2 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1i4z s PRO 3 N 4.96 4.15 -0.53 -1.08 0.04 -1.26 -4.94 135.00 136.34 1i4z s PRO 3 Ca 1.06 2.54 -0.26 0.00 0.04 0.00 0.00 61.00 64.39 1i4z s PRO 3 Cb -1.08 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 30.14 1i4z s PRO 3 CO 0.60 -0.77 1.00 0.42 0.04 0.00 0.00 177.00 178.28 1i4z s ILE 4 N 1.99 4.33 0.53 0.56 -1.09 -1.26 -5.01 121.20 121.24 1i4z s ILE 4 Ca 0.77 0.58 -0.20 0.00 -2.23 0.00 0.00 60.65 59.56 1i4z s ILE 4 Cb -0.46 -4.55 -0.09 0.00 -1.58 0.00 0.00 42.46 35.78 1i4z s ILE 4 CO 0.34 -1.08 0.74 -0.81 -1.23 0.00 0.00 174.94 172.90 1i4z n PRO 5 N 7.59 0.79 -3.36 2.79 -0.04 -1.26 -4.97 135.00 136.54 1i4z n PRO 5 Ca 0.05 0.30 -0.04 0.00 -0.04 0.00 0.00 63.50 63.76 1i4z n PRO 5 Cb 0.48 -1.87 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 1i4z n PRO 5 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1i4z s ASP 6 N -1.08 -0.49 0.58 3.54 -1.08 -1.26 -3.21 116.67 113.67 1i4z s ASP 6 Ca 0.69 0.68 -0.18 0.00 -0.52 0.00 0.00 52.55 53.21 1i4z s ASP 6 Cb -0.48 1.60 -0.07 0.00 -1.46 0.00 0.00 42.92 42.51 1i4z s ASP 6 CO 0.53 -0.27 0.74 -0.81 0.52 0.00 0.00 175.17 175.88 1i4z n PRO 7 N 5.40 0.69 -2.14 4.34 -0.04 -1.26 -5.04 135.00 136.95 1i4z n PRO 7 Ca -0.04 0.27 -0.29 0.00 -0.04 0.00 0.00 63.50 63.40 1i4z n PRO 7 Cb 0.50 -1.92 -0.05 0.00 -0.04 0.00 0.00 33.50 32.00 1i4z n PRO 7 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1i4z s TYR 8 N -1.61 1.95 0.13 0.54 6.14 -1.20 -4.89 117.35 118.41 1i4z s TYR 8 Ca 0.72 0.35 0.05 0.00 0.64 0.00 0.00 57.07 58.83 1i4z s TYR 8 Cb -0.44 -4.15 -0.04 0.00 0.42 0.00 0.00 41.96 37.75 1i4z s TYR 8 CO 0.51 -1.71 -0.11 0.08 0.64 0.00 0.00 175.55 174.96 1i4z s VAL 9 N 9.34 1.16 0.04 3.14 1.01 -1.26 -4.60 120.40 129.22 1i4z s VAL 9 Ca 0.66 -1.90 -0.28 0.00 0.00 0.00 0.00 61.98 60.45 1i4z s VAL 9 Cb -0.05 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1i4z s VAL 9 CO -0.00 -0.64 0.90 0.86 0.00 0.00 0.00 175.10 176.22 1i4z s TRP 10 N -2.89 3.72 0.18 5.22 -0.00 -1.26 -4.83 118.94 119.08 1i4z s TRP 10 Ca 0.13 1.65 0.10 0.00 -0.00 0.00 0.00 56.10 57.97 1i4z s TRP 10 Cb -0.00 -3.01 -0.04 0.00 -0.00 0.00 0.00 33.47 30.42 1i4z s TRP 10 CO 0.01 0.13 -0.20 0.16 -0.00 0.00 0.00 176.95 177.06 1i4z s ASP 11 N 0.41 2.96 0.61 5.86 1.47 -1.26 -5.02 116.67 121.70 1i4z s ASP 11 Ca 0.46 -0.88 0.17 0.00 1.18 0.00 0.00 52.55 53.48 1i4z s ASP 11 Cb -0.21 -0.20 0.94 0.00 -0.34 0.00 0.00 42.92 43.11 1i4z s ASP 11 CO 0.27 0.01 1.51 -0.65 0.68 0.00 0.00 175.17 176.98 1i4z h PRO 12 N 3.13 0.00 0.00 2.11 0.11 -2.01 0.90 132.00 136.24 1i4z h PRO 12 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1i4z h PRO 12 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1i4z h PRO 12 CO 0.51 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.96 1i4z h SER 13 N 0.00 0.00 0.42 -2.05 4.64 -2.01 -1.86 113.55 112.69 1i4z h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i4z h SER 13 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1i4z h SER 13 CO 0.00 0.00 -0.39 0.49 -0.87 0.00 0.00 176.83 176.06 1i4z n PHE 14 N -2.31 0.00 -1.60 4.77 3.01 0.31 -4.98 117.46 116.66 1i4z n PHE 14 Ca 0.01 0.00 -0.55 0.00 1.01 0.00 0.00 57.45 57.91 1i4z n PHE 14 Cb 0.16 -0.21 -0.07 0.00 -0.01 0.00 0.00 39.48 39.34 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 -1.20 0.86 -0.01 -1.08 1.74 -0.70 -4.88 116.66 111.39 1i4z n ARG 15 Ca 0.08 0.31 0.10 0.00 -0.77 0.00 0.00 57.85 57.57 1i4z n ARG 15 Cb 0.34 -1.93 -0.14 0.00 -1.02 0.00 0.00 32.46 29.71 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 -1.09 0.55 -2.24 -1.26 -4.97 114.28 108.03 1i4z n THR 16 Ca 0.21 -0.27 -0.03 0.00 -2.27 0.00 0.00 64.05 61.68 1i4z n THR 16 Cb 0.14 0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.89 0.00 -3.82 4.78 3.72 -1.26 -4.78 117.46 114.21 1i4z n PHE 17 Ca -0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.06 1i4z n PHE 17 Cb 0.44 -0.91 -0.12 0.00 -0.94 0.00 0.00 39.48 37.95 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 -2.06 3.31 0.41 1.38 2.02 -1.26 -4.99 117.35 116.15 1i4z s TYR 18 Ca 0.00 -2.95 0.29 0.00 -0.37 0.00 0.00 57.07 54.04 1i4z s TYR 18 Cb 0.00 -3.02 1.39 0.00 -0.40 0.00 0.00 41.96 39.93 1i4z s TYR 18 CO 0.00 -0.79 1.49 0.45 -1.57 0.00 0.00 175.55 175.13 1i4z n SER 19 N 3.25 0.23 0.00 2.29 2.88 -1.26 -0.88 113.62 120.13 1i4z n SER 19 Ca 0.07 1.37 -0.12 0.00 -1.33 0.00 0.00 58.87 58.86 1i4z n SER 19 Cb 0.35 -0.67 -0.10 0.00 -0.75 0.00 0.00 64.21 63.04 1i4z n SER 19 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1i4z h ILE 20 N 0.00 1.25 -0.79 2.46 6.09 -2.00 -2.71 117.51 121.82 1i4z h ILE 20 Ca 0.83 -1.32 0.02 0.00 -1.37 0.00 0.00 64.86 63.03 1i4z h ILE 20 Cb 2.59 2.08 -0.04 0.00 0.47 0.00 0.00 36.82 41.92 1i4z h ILE 20 CO -0.50 0.32 0.52 0.40 -3.07 0.00 0.00 178.15 175.82 1i4z h ILE 21 N -0.70 1.15 0.07 2.19 2.04 -1.62 -2.38 117.51 118.26 1i4z h ILE 21 Ca -0.01 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1i4z h ILE 21 Cb 0.58 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1i4z h ILE 21 CO 0.01 0.18 -0.03 0.44 0.00 0.00 0.00 178.15 178.76 1i4z h ASP 22 N 1.01 -0.07 -0.10 1.72 3.32 -1.04 -1.63 116.42 119.62 1i4z h ASP 22 Ca 0.30 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 1i4z h ASP 22 Cb -0.02 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1i4z h ASP 22 CO -0.08 -0.05 -0.01 0.44 -1.72 0.00 0.00 179.24 177.81 1i4z h ASP 23 N -0.09 0.28 -0.23 6.45 3.45 -1.11 -1.55 116.42 123.62 1i4z h ASP 23 Ca -0.01 -0.04 -0.18 0.00 0.43 0.00 0.00 57.03 57.23 1i4z h ASP 23 Cb 0.07 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1i4z h ASP 23 CO 0.01 0.35 -0.55 -0.33 -1.57 0.00 0.00 179.24 177.15 1i4z h GLU 24 N 0.30 0.83 -0.60 3.56 5.08 -1.21 -2.66 114.58 119.88 1i4z h GLU 24 Ca 0.07 -0.53 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1i4z h GLU 24 Cb 0.23 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1i4z h GLU 24 CO 0.01 1.16 0.38 0.45 -1.00 0.00 0.00 179.01 180.01 1i4z h HIS 25 N 0.63 0.72 -0.47 4.33 3.86 -0.65 -0.64 115.15 122.94 1i4z h HIS 25 Ca 0.01 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.30 1i4z h HIS 25 Cb 1.15 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 29.33 1i4z h HIS 25 CO 0.07 0.44 0.18 0.87 0.86 0.00 0.00 177.93 180.35 1i4z h LYS 26 N 0.77 0.36 -0.25 2.45 1.57 -1.15 0.06 116.57 120.38 1i4z h LYS 26 Ca 0.23 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1i4z h LYS 26 Cb -0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1i4z h LYS 26 CO -0.07 0.24 -0.17 1.79 -0.57 0.00 0.00 179.45 180.67 1i4z h THR 27 N 0.37 1.24 -0.42 -0.16 1.35 -1.12 -2.59 112.91 111.58 1i4z h THR 27 Ca 0.22 -1.08 -0.10 0.00 -0.55 0.00 0.00 66.41 64.90 1i4z h THR 27 Cb 0.20 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 1i4z h THR 27 CO -0.21 0.35 -0.14 0.25 -0.25 0.00 0.00 175.52 175.51 1i4z h LEU 28 N 0.40 0.85 -0.50 3.87 6.46 -0.16 -1.80 115.31 124.44 1i4z h LEU 28 Ca 0.07 -0.38 0.05 0.00 -0.12 0.00 0.00 57.88 57.50 1i4z h LEU 28 Cb 0.54 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 40.19 1i4z h LEU 28 CO 0.03 1.04 0.22 -0.26 -0.62 0.00 0.00 178.44 178.85 1i4z h PHE 29 N 0.66 0.40 -0.81 1.25 -1.00 -0.81 -0.01 116.94 116.61 1i4z h PHE 29 Ca 0.10 0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.93 1i4z h PHE 29 Cb 0.69 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 40.10 1i4z h PHE 29 CO 0.05 0.17 0.53 -0.97 -1.61 0.00 0.00 178.31 176.49 1i4z h ASN 30 N 0.43 0.87 0.33 2.17 -1.24 -1.32 -0.15 115.58 116.68 1i4z h ASN 30 Ca 0.23 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.22 1i4z h ASN 30 Cb 0.18 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1i4z h ASN 30 CO -0.19 0.61 -0.27 1.23 -1.29 0.00 0.00 177.43 177.52 1i4z h GLY 31 N 1.02 -0.64 1.34 1.57 0.00 -0.11 -2.55 103.07 103.70 1i4z h GLY 31 Ca 0.32 0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.87 1i4z h GLY 31 CO -0.09 -0.25 0.01 -2.22 0.00 0.00 0.00 176.54 173.99 1i4z h ILE 32 N -0.60 1.24 -0.23 2.60 2.04 -1.19 -2.14 117.51 119.23 1i4z h ILE 32 Ca -0.02 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 64.87 1i4z h ILE 32 Cb 0.53 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1i4z h ILE 32 CO -0.02 0.35 -0.24 0.15 0.00 0.00 0.00 178.15 178.40 1i4z h PHE 33 N 0.75 -0.74 -0.06 1.37 3.57 -0.68 0.17 116.94 121.31 1i4z h PHE 33 Ca 0.15 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1i4z h PHE 33 Cb 0.44 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 1i4z h PHE 33 CO 0.02 -0.20 -0.00 0.45 -2.23 0.00 0.00 178.31 176.36 1i4z h HIS 34 N -0.13 0.08 -0.09 0.41 3.86 -1.41 -2.16 115.15 115.72 1i4z h HIS 34 Ca 0.04 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1i4z h HIS 34 Cb 0.23 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1i4z h HIS 34 CO -0.72 0.09 -0.04 1.25 0.86 0.00 0.00 177.93 179.37 1i4z h LEU 35 N 0.09 -0.14 -1.85 2.43 7.12 -0.10 -1.34 115.31 121.52 1i4z h LEU 35 Ca 0.02 0.04 -0.03 0.00 0.13 0.00 0.00 57.88 58.04 1i4z h LEU 35 Cb 0.07 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.27 1i4z h LEU 35 CO 0.00 -0.06 -0.14 0.00 -0.13 0.00 0.00 178.44 178.12 1i4z h ALA 36 N 1.06 1.35 0.00 1.25 0.00 -0.24 -1.67 119.26 121.01 1i4z h ALA 36 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1i4z h ALA 36 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1i4z h ALA 36 CO -0.11 0.17 -0.16 -0.89 0.00 0.00 0.00 179.25 178.25 1i4z n ILE 37 N -3.76 0.16 0.00 0.00 5.41 -0.64 -4.65 119.36 115.88 1i4z n ILE 37 Ca -0.02 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1i4z n ILE 37 Cb 0.24 -0.33 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 1i4z n ILE 37 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1i4z n ASP 38 N -1.72 0.00 -0.13 4.38 -0.08 -0.60 -5.04 116.55 113.36 1i4z n ASP 38 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1i4z n ASP 38 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 1i4z n ASP 38 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1i4z n ASP 39 N 0.00 0.00 -4.59 1.67 2.03 -0.71 -4.60 116.55 110.35 1i4z n ASP 39 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 1i4z n ASP 39 Cb 0.00 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 40.61 1i4z n ASP 39 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1i4z s ASN 40 N -1.46 2.01 0.38 1.67 6.03 -1.26 -4.73 114.94 117.58 1i4z s ASN 40 Ca 0.00 1.88 0.07 0.00 -1.03 0.00 0.00 52.86 53.77 1i4z s ASN 40 Cb 0.00 -2.45 0.79 0.00 -3.03 0.00 0.00 41.25 36.56 1i4z s ASN 40 CO 0.00 -3.62 2.00 0.00 -2.03 0.00 0.00 177.10 173.45 1i4z h ALA 41 N -2.22 1.72 -0.23 3.54 0.00 -1.98 -0.77 119.26 119.31 1i4z h ALA 41 Ca -0.52 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 1i4z h ALA 41 Cb 1.30 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1i4z h ALA 41 CO 0.46 0.21 -0.23 -0.44 0.00 0.00 0.00 179.25 179.24 1i4z h ASP 42 N 0.67 0.61 -0.25 0.00 3.45 -1.94 0.74 116.42 119.71 1i4z h ASP 42 Ca 0.25 -0.48 -0.05 0.00 0.43 0.00 0.00 57.03 57.18 1i4z h ASP 42 Cb 0.13 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 1i4z h ASP 42 CO -0.07 0.96 -0.04 0.78 -1.57 0.00 0.00 179.24 179.30 1i4z h ASN 43 N 0.27 0.47 -0.90 6.45 2.35 -1.80 0.38 115.58 122.80 1i4z h ASN 43 Ca 0.04 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1i4z h ASN 43 Cb 0.79 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.99 1i4z h ASN 43 CO 0.06 0.71 0.52 0.25 -1.65 0.00 0.00 177.43 177.31 1i4z h LEU 44 N 0.22 1.11 -0.30 1.61 5.85 -1.17 -0.46 115.31 122.16 1i4z h LEU 44 Ca 0.07 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1i4z h LEU 44 Cb 0.50 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1i4z h LEU 44 CO 0.02 0.87 0.12 1.23 -0.34 0.00 0.00 178.44 180.34 1i4z h GLY 45 N 1.26 0.49 0.94 3.75 0.00 -0.60 0.59 103.07 109.51 1i4z h GLY 45 Ca 0.32 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1i4z h GLY 45 CO -0.06 0.26 0.02 -2.09 0.00 0.00 0.00 176.54 174.67 1i4z h GLU 46 N 0.34 0.05 0.08 4.80 4.57 -0.63 -0.83 114.58 122.96 1i4z h GLU 46 Ca 0.10 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1i4z h GLU 46 Cb 0.20 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1i4z h GLU 46 CO -0.01 0.10 -0.04 1.25 -1.18 0.00 0.00 179.01 179.13 1i4z h LEU 47 N -0.01 -0.09 -1.49 1.64 5.85 -0.99 -1.84 115.31 118.37 1i4z h LEU 47 Ca 0.01 -0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.79 1i4z h LEU 47 Cb 0.06 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1i4z h LEU 47 CO -0.00 0.03 0.52 -0.09 -0.34 0.00 0.00 178.44 178.56 1i4z h ARG 48 N -0.21 0.49 0.20 1.25 9.65 0.40 0.18 114.38 126.34 1i4z h ARG 48 Ca -0.01 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1i4z h ARG 48 Cb 0.17 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1i4z h ARG 48 CO 0.02 0.33 -0.10 -0.09 2.80 0.00 0.00 179.97 182.93 1i4z h ARG 49 N 0.51 -0.26 -0.89 0.20 2.43 -1.06 -3.03 114.38 112.28 1i4z h ARG 49 Ca 0.39 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.69 1i4z h ARG 49 Cb 0.78 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.31 1i4z h ARG 49 CO -0.14 0.12 0.52 0.00 -1.51 0.00 0.00 179.97 178.96 1i4z h THR 51 N 0.82 0.00 -0.99 0.00 2.02 -0.78 -1.84 112.91 112.15 1i4z h THR 51 Ca 0.45 -0.21 0.11 0.00 0.77 0.00 0.00 66.41 67.53 1i4z h THR 51 Cb 0.47 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.80 1i4z h THR 51 CO -0.28 0.00 0.63 1.23 0.37 0.00 0.00 175.52 177.47 1i4z h GLY 52 N -1.18 1.58 0.84 2.16 0.00 -1.45 0.45 103.07 105.46 1i4z h GLY 52 Ca -0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1i4z h GLY 52 CO 0.16 0.18 -0.11 0.07 0.00 0.00 0.00 176.54 176.85 1i4z h LYS 53 N 0.99 -0.29 -0.46 4.80 2.10 -1.30 -1.25 116.57 121.16 1i4z h LYS 53 Ca 0.48 0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 59.15 1i4z h LYS 53 Cb 0.46 0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.83 1i4z h LYS 53 CO -0.24 -0.07 0.27 1.25 -2.00 0.00 0.00 179.45 178.66 1i4z h HIS 54 N -0.46 0.61 -0.41 0.07 6.17 -0.61 -1.37 115.15 119.14 1i4z h HIS 54 Ca -0.03 -0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.10 1i4z h HIS 54 Cb 0.35 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.06 1i4z h HIS 54 CO -0.02 0.43 0.28 0.74 0.71 0.00 0.00 177.93 180.07 1i4z h PHE 55 N 0.61 0.33 0.21 5.26 -1.00 -0.05 -1.41 116.94 120.89 1i4z h PHE 55 Ca 0.16 0.01 -0.32 0.00 2.81 0.00 0.00 57.97 60.63 1i4z h PHE 55 Cb 0.00 -0.11 0.03 0.00 3.61 0.00 0.00 35.95 39.49 1i4z h PHE 55 CO -0.03 0.18 -1.40 1.25 -1.61 0.00 0.00 178.31 176.70 1i4z h LEU 56 N 0.33 0.80 -0.99 1.54 5.85 -0.54 -2.84 115.31 119.46 1i4z h LEU 56 Ca 0.18 -0.83 -0.07 0.00 0.84 0.00 0.00 57.88 58.00 1i4z h LEU 56 Cb 0.29 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1i4z h LEU 56 CO -0.04 1.65 0.00 0.78 -0.34 0.00 0.00 178.44 180.49 1i4z h ASN 57 N 0.17 0.69 0.35 1.25 -0.26 -0.88 0.88 115.58 117.78 1i4z h ASN 57 Ca -0.23 -0.16 -0.19 0.00 -0.56 0.00 0.00 56.30 55.16 1i4z h ASN 57 Cb 2.09 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 39.16 1i4z h ASN 57 CO 0.26 0.76 -0.79 -0.08 -1.06 0.00 0.00 177.43 176.52 1i4z h GLU 58 N 0.68 0.35 -0.30 0.81 4.81 -1.35 -0.38 114.58 119.20 1i4z h GLU 58 Ca 0.14 -0.32 -0.14 0.00 -0.13 0.00 0.00 59.36 58.91 1i4z h GLU 58 Cb 0.42 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1i4z h GLU 58 CO 0.02 0.98 -0.40 1.96 -0.73 0.00 0.00 179.01 180.83 1i4z h GLN 59 N 0.22 0.72 0.53 1.92 4.20 -1.28 -1.22 115.11 120.20 1i4z h GLN 59 Ca -0.04 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.27 1i4z h GLN 59 Cb 1.38 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.17 1i4z h GLN 59 CO 0.13 0.99 -0.30 0.28 -0.67 0.00 0.00 178.83 179.26 1i4z h VAL 60 N 0.59 0.38 -0.17 -0.54 2.07 -0.55 0.69 116.25 118.71 1i4z h VAL 60 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1i4z h VAL 60 Cb 0.94 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1i4z h VAL 60 CO 0.09 0.00 0.10 -0.07 0.02 0.00 0.00 177.57 177.71 1i4z h LEU 61 N -0.78 0.20 0.00 2.57 4.07 -1.05 -1.19 115.31 119.14 1i4z h LEU 61 Ca -0.06 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 1i4z h LEU 61 Cb 0.63 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1i4z h LEU 61 CO 0.08 0.16 -0.00 0.24 -1.08 0.00 0.00 178.44 177.84 1i4z h MET 62 N 0.24 -0.00 -0.05 1.13 2.07 -0.89 -3.11 114.93 114.32 1i4z h MET 62 Ca 0.06 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.71 1i4z h MET 62 Cb 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1i4z h MET 62 CO -0.01 0.50 0.05 1.96 1.07 0.00 0.00 176.91 180.48 1i4z h GLN 63 N -0.51 0.00 0.00 1.72 4.20 -0.31 0.26 115.11 120.47 1i4z h GLN 63 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1i4z h GLN 63 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1i4z h GLN 63 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1i4z h ALA 64 N 1.94 1.00 0.00 3.87 0.00 -1.16 -2.50 119.26 122.42 1i4z h ALA 64 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1i4z h ALA 64 Cb 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 1i4z h ALA 64 CO -0.00 0.00 -0.49 0.43 0.00 0.00 0.00 179.25 179.19 1i4z n SER 65 N -2.61 1.24 -4.04 0.00 7.64 -0.96 -5.01 113.62 109.89 1i4z n SER 65 Ca 0.01 -2.71 -0.43 0.00 1.01 0.00 0.00 58.87 56.75 1i4z n SER 65 Cb 0.26 -0.36 0.01 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.52 -0.52 -1.64 1.43 6.02 -0.94 -4.77 117.38 116.45 1i4z n GLN 66 Ca 0.10 0.14 -0.49 0.00 -0.01 0.00 0.00 57.00 56.74 1i4z n GLN 66 Cb 0.78 -2.89 -0.05 0.00 1.02 0.00 0.00 30.24 29.10 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 -4.89 2.16 -0.32 1.08 4.19 0.04 -4.89 117.16 114.54 1i4z n TYR 67 Ca -0.13 0.05 0.20 0.00 3.31 0.00 0.00 57.90 61.33 1i4z n TYR 67 Cb 0.58 -2.64 0.41 0.00 0.49 0.00 0.00 39.34 38.18 1i4z n TYR 67 CO 0.00 0.00 0.00 0.37 0.91 0.00 0.00 176.86 178.14 1i4z h GLN 68 N 10.27 0.23 -0.87 2.98 4.15 -1.91 -1.29 115.11 128.67 1i4z h GLN 68 Ca -0.44 -0.01 -0.55 0.00 0.77 0.00 0.00 58.65 58.41 1i4z h GLN 68 Cb 1.28 -0.05 -0.29 0.00 0.21 0.00 0.00 27.48 28.63 1i4z h GLN 68 CO 0.96 0.15 0.45 1.19 -1.93 0.00 0.00 178.83 179.66 1i4z n PHE 69 N -5.16 2.83 -0.04 3.99 3.01 -1.26 -4.72 117.46 116.11 1i4z n PHE 69 Ca 0.28 -2.42 -0.10 0.00 1.01 0.00 0.00 57.45 56.23 1i4z n PHE 69 Cb 0.89 -1.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.30 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 1.63 0.18 0.03 1.38 5.03 -1.62 -2.88 116.97 120.72 1i4z h TYR 70 Ca 0.53 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.87 1i4z h TYR 70 Cb 1.56 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.76 1i4z h TYR 70 CO 1.34 0.11 -0.15 -0.44 -1.32 0.00 0.00 178.16 177.70 1i4z h ASP 71 N 0.21 -0.42 -0.81 -2.11 3.32 -1.85 0.18 116.42 114.94 1i4z h ASP 71 Ca 0.08 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1i4z h ASP 71 Cb 0.02 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 1i4z h ASP 71 CO -0.05 -0.21 0.47 1.05 -1.72 0.00 0.00 179.24 178.78 1i4z h GLU 72 N -0.26 1.11 0.00 3.56 4.11 -1.94 0.33 114.58 121.49 1i4z h GLU 72 Ca 0.04 -0.11 -0.11 0.00 0.07 0.00 0.00 59.36 59.25 1i4z h GLU 72 Cb 0.31 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1i4z h GLU 72 CO -0.13 0.79 -0.53 1.25 0.07 0.00 0.00 179.01 180.47 1i4z h HIS 73 N 1.13 0.00 0.08 2.06 2.76 -1.25 -1.64 115.15 118.29 1i4z h HIS 73 Ca 0.29 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 58.19 1i4z h HIS 73 Cb -0.02 0.00 0.01 0.00 1.55 0.00 0.00 27.41 28.95 1i4z h HIS 73 CO 0.01 0.53 -1.15 -0.22 -1.30 0.00 0.00 177.93 175.80 1i4z h LYS 74 N 0.00 0.46 -0.73 5.26 3.64 0.78 -2.47 116.57 123.51 1i4z h LYS 74 Ca -0.01 -0.61 -0.03 0.00 -1.27 0.00 0.00 60.65 58.73 1i4z h LYS 74 Cb 1.02 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1i4z h LYS 74 CO 0.07 1.25 0.35 0.87 -2.27 0.00 0.00 179.45 179.71 1i4z h LYS 75 N 0.21 1.06 0.06 1.90 1.79 -0.23 -1.89 116.57 119.47 1i4z h LYS 75 Ca -0.14 -0.16 0.01 0.00 -2.18 0.00 0.00 60.65 58.18 1i4z h LYS 75 Cb 1.82 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 32.27 1i4z h LYS 75 CO 0.21 0.83 -0.10 0.93 -1.08 0.00 0.00 179.45 180.24 1i4z h GLU 76 N 1.03 -0.20 -0.78 3.15 4.39 -1.27 -1.91 114.58 118.99 1i4z h GLU 76 Ca 0.25 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.03 1i4z h GLU 76 Cb 0.13 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 1i4z h GLU 76 CO -0.03 -0.13 0.51 0.45 -1.16 0.00 0.00 179.01 178.65 1i4z h HIS 77 N -0.21 0.84 -0.68 4.33 3.86 -1.20 -1.38 115.15 120.71 1i4z h HIS 77 Ca 0.02 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1i4z h HIS 77 Cb 0.22 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1i4z h HIS 77 CO -0.13 0.44 0.13 0.93 0.86 0.00 0.00 177.93 180.16 1i4z h GLU 78 N 0.82 1.11 0.78 2.45 5.08 -0.84 -2.34 114.58 121.64 1i4z h GLU 78 Ca 0.34 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1i4z h GLU 78 Cb 0.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1i4z h GLU 78 CO -0.12 1.00 -0.44 1.15 -1.00 0.00 0.00 179.01 179.61 1i4z h THR 79 N 1.04 0.00 -0.37 1.13 2.02 -0.48 0.20 112.91 116.44 1i4z h THR 79 Ca 0.21 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.44 1i4z h THR 79 Cb 0.41 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1i4z h THR 79 CO 0.01 0.00 0.25 0.15 0.37 0.00 0.00 175.52 176.30 1i4z h PHE 80 N -1.13 0.30 -0.35 3.16 3.57 -1.55 0.11 116.94 121.04 1i4z h PHE 80 Ca -0.11 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.30 1i4z h PHE 80 Cb 0.89 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1i4z h PHE 80 CO -0.04 0.17 -0.19 0.82 -2.23 0.00 0.00 178.31 176.84 1i4z h ILE 81 N 0.30 1.29 -0.69 1.41 1.08 -0.99 -0.57 117.51 119.34 1i4z h ILE 81 Ca 0.16 -1.32 0.01 0.00 -0.39 0.00 0.00 64.86 63.32 1i4z h ILE 81 Cb 0.24 1.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 1i4z h ILE 81 CO -0.03 0.43 0.46 -0.74 -0.69 0.00 0.00 178.15 177.57 1i4z h HIS 82 N 0.53 0.87 -0.07 1.37 2.76 0.43 -0.23 115.15 120.82 1i4z h HIS 82 Ca 0.08 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1i4z h HIS 82 Cb 0.73 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 1i4z h HIS 82 CO 0.06 0.55 -0.10 0.00 -1.30 0.00 0.00 177.93 177.14 1i4z h ALA 83 N 1.25 -0.06 -0.11 5.26 0.00 -0.67 -1.01 119.26 123.93 1i4z h ALA 83 Ca 0.25 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1i4z h ALA 83 Cb -0.10 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1i4z h ALA 83 CO -0.05 -0.58 0.07 -0.07 0.00 0.00 0.00 179.25 178.62 1i4z h LEU 84 N -0.15 0.09 0.00 0.00 3.38 -0.56 -1.06 115.31 117.02 1i4z h LEU 84 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1i4z h LEU 84 Cb 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1i4z h LEU 84 CO -0.15 0.07 -0.05 0.44 0.09 0.00 0.00 178.44 178.83 1i4z h ASP 85 N 0.11 0.00 -2.07 -0.43 3.45 -0.27 -3.32 116.42 113.88 1i4z h ASP 85 Ca 0.04 -0.01 -0.51 0.00 0.43 0.00 0.00 57.03 56.98 1i4z h ASP 85 Cb 0.04 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 38.40 1i4z h ASP 85 CO -0.01 0.01 -1.06 0.59 -1.57 0.00 0.00 179.24 177.20 1i4z n ASN 86 N -2.46 1.75 -4.77 6.45 3.02 -0.46 -5.07 115.26 113.73 1i4z n ASN 86 Ca 0.05 -3.18 -0.41 0.00 -0.03 0.00 0.00 54.58 51.01 1i4z n ASN 86 Cb 0.46 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 39.01 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 -2.68 2.71 -0.03 3.10 -0.00 -0.67 -4.81 118.94 116.56 1i4z s TRP 87 Ca 0.42 1.11 0.00 0.00 -0.00 0.00 0.00 56.10 57.63 1i4z s TRP 87 Cb 0.33 -3.98 0.01 0.00 -0.00 0.00 0.00 33.47 29.83 1i4z s TRP 87 CO -0.10 -2.96 1.00 0.36 -0.00 0.00 0.00 176.95 175.26 1i4z n LYS 88 N 1.00 2.95 -0.84 5.86 -0.00 -1.26 -5.00 118.16 120.87 1i4z n LYS 88 Ca 0.03 -1.50 0.00 0.00 -0.00 0.00 0.00 58.31 56.83 1i4z n LYS 88 Cb 0.39 -1.01 0.00 0.00 -0.00 0.00 0.00 35.03 34.41 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 -0.46 0.89 3.57 2.58 0.00 -1.26 -4.99 105.19 105.51 1i4z n GLY 89 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.90 5.98 0.13 1.61 3.68 -1.26 -4.79 116.67 119.12 1i4z s ASP 90 Ca 0.00 -1.71 -0.12 0.00 2.13 0.00 0.00 52.55 52.84 1i4z s ASP 90 Cb 0.00 -2.58 -0.06 0.00 -1.45 0.00 0.00 42.92 38.84 1i4z s ASP 90 CO 0.00 -2.04 1.46 1.62 0.13 0.00 0.00 175.17 176.34 1i4z h VAL 91 N 6.30 1.28 -0.33 1.11 3.04 -1.96 -2.99 116.25 122.70 1i4z h VAL 91 Ca 0.27 -1.50 0.05 0.00 -1.01 0.00 0.00 66.70 64.51 1i4z h VAL 91 Cb 0.94 1.45 -0.05 0.00 -2.01 0.00 0.00 31.29 31.62 1i4z h VAL 91 CO 1.35 0.50 0.03 0.11 -1.01 0.00 0.00 177.57 178.55 1i4z h LYS 92 N 0.64 0.13 -0.97 4.17 1.57 -1.99 0.63 116.57 120.74 1i4z h LYS 92 Ca 0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1i4z h LYS 92 Cb 0.92 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.15 1i4z h LYS 92 CO 0.08 0.09 0.63 2.35 -0.57 0.00 0.00 179.45 182.03 1i4z h TRP 93 N 0.14 1.24 -0.28 -1.35 7.01 -1.96 -1.07 115.95 119.68 1i4z h TRP 93 Ca 0.16 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 1i4z h TRP 93 Cb 0.20 -0.42 -0.01 0.00 -2.10 0.00 0.00 29.16 26.83 1i4z h TRP 93 CO -0.21 0.80 0.04 0.00 -2.79 0.00 0.00 178.44 176.27 1i4z h ALA 94 N 1.36 0.37 -0.13 2.65 0.00 -1.27 0.24 119.26 122.49 1i4z h ALA 94 Ca 0.35 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1i4z h ALA 94 Cb -0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 1i4z h ALA 94 CO -0.07 0.06 -0.23 0.87 0.00 0.00 0.00 179.25 179.88 1i4z h LYS 95 N 0.27 -0.28 -0.04 0.00 1.57 -0.46 0.34 116.57 117.97 1i4z h LYS 95 Ca 0.08 0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 1i4z h LYS 95 Cb 0.35 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1i4z h LYS 95 CO 0.01 -0.19 -0.51 0.66 -0.57 0.00 0.00 179.45 178.85 1i4z h SER 96 N -0.30 0.11 0.06 0.86 4.64 -1.11 -2.08 113.55 115.74 1i4z h SER 96 Ca 0.10 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1i4z h SER 96 Cb 0.44 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1i4z h SER 96 CO -0.30 0.60 -0.03 -0.25 -0.87 0.00 0.00 176.83 175.98 1i4z h TRP 97 N 0.08 -0.08 -0.25 4.77 7.01 0.06 -1.53 115.95 126.01 1i4z h TRP 97 Ca 0.00 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1i4z h TRP 97 Cb 0.93 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.99 1i4z h TRP 97 CO 0.01 0.27 0.08 -0.92 -2.79 0.00 0.00 178.44 175.09 1i4z h TYR 98 N -0.44 0.14 0.42 2.65 3.20 -0.21 0.15 116.97 122.88 1i4z h TYR 98 Ca -0.01 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1i4z h TYR 98 Cb 0.39 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1i4z h TYR 98 CO 0.04 0.07 -0.21 0.28 -1.64 0.00 0.00 178.16 176.70 1i4z h VAL 99 N 0.19 0.58 -0.06 1.81 2.07 -1.41 -2.19 116.25 117.24 1i4z h VAL 99 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1i4z h VAL 99 Cb 0.08 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1i4z h VAL 99 CO -0.12 0.00 0.09 0.78 0.02 0.00 0.00 177.57 178.34 1i4z h ASN 100 N -0.57 0.00 0.22 0.57 4.21 -0.99 -2.45 115.58 116.56 1i4z h ASN 100 Ca -0.06 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.44 1i4z h ASN 100 Cb 0.44 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1i4z h ASN 100 CO 0.09 0.00 -0.10 -0.74 -1.29 0.00 0.00 177.43 175.39 1i4z h HIS 101 N 0.00 -0.27 0.50 1.19 2.76 -0.09 -2.25 115.15 116.99 1i4z h HIS 101 Ca 0.03 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1i4z h HIS 101 Cb 0.21 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.26 1i4z h HIS 101 CO 0.00 0.11 -0.25 0.82 -1.30 0.00 0.00 177.93 177.31 1i4z h ILE 102 N -0.75 0.48 -0.11 6.26 2.04 -1.02 0.48 117.51 124.89 1i4z h ILE 102 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1i4z h ILE 102 Cb 0.50 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1i4z h ILE 102 CO 0.05 0.00 0.00 0.11 0.00 0.00 0.00 178.15 178.31 1i4z h LYS 103 N -0.69 0.15 0.00 2.37 1.57 -1.57 0.45 116.57 118.85 1i4z h LYS 103 Ca -0.07 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1i4z h LYS 103 Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1i4z h LYS 103 CO 0.10 0.17 -1.37 0.25 -0.57 0.00 0.00 179.45 178.03 1i4z n THR 104 N -4.44 0.16 -0.10 -0.16 -2.24 -0.84 -4.52 114.28 102.12 1i4z n THR 104 Ca -0.01 -0.20 -0.21 0.00 -2.27 0.00 0.00 64.05 61.36 1i4z n THR 104 Cb 0.14 -0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.92 1.11 -0.15 2.28 2.08 0.03 -4.34 119.36 118.45 1i4z n ILE 105 Ca -0.05 -0.30 -0.10 0.00 0.56 0.00 0.00 62.75 62.86 1i4z n ILE 105 Cb 0.37 -1.70 -0.01 0.00 -0.75 0.00 0.00 39.64 37.55 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 -0.64 0.74 -0.27 4.38 5.19 -0.70 -2.89 116.42 122.23 1i4z h ASP 106 Ca -0.51 -0.30 0.08 0.00 -0.62 0.00 0.00 57.03 55.68 1i4z h ASP 106 Cb 1.48 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 1i4z h ASP 106 CO -0.28 0.86 0.34 -0.26 -3.12 0.00 0.00 179.24 176.79 1i4z h PHE 107 N 0.60 0.00 0.00 4.55 0.05 -1.16 -0.31 116.94 120.67 1i4z h PHE 107 Ca 0.12 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.90 1i4z h PHE 107 Cb 0.48 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.43 1i4z h PHE 107 CO 0.04 0.00 -0.04 0.87 -0.18 0.00 0.00 178.31 178.99 1i4z h LYS 108 N 0.00 0.00 -0.01 1.51 1.57 -1.70 -2.94 116.57 115.01 1i4z h LYS 108 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1i4z h LYS 108 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1i4z h LYS 108 CO -0.00 0.04 -0.44 2.48 -0.57 0.00 0.00 179.45 180.96 1i4z n TYR 109 N -3.23 0.00 -1.67 -1.35 0.18 -0.13 -4.86 117.16 106.10 1i4z n TYR 109 Ca -0.01 0.00 -0.49 0.00 1.88 0.00 0.00 57.90 59.29 1i4z n TYR 109 Cb 0.24 -0.08 -0.05 0.00 -0.38 0.00 0.00 39.34 39.07 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 -0.63 2.02 -0.94 -3.48 5.02 -1.11 -0.38 118.16 118.66 1i4z n LYS 110 Ca 0.09 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1i4z n LYS 110 Cb 0.39 -2.53 0.00 0.00 -0.02 0.00 0.00 35.03 32.86 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 3.95 0.79 0.00 0.72 0.00 -1.26 -4.88 105.19 104.51 1i4z n GLY 111 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.39 1.60 0.00 1.61 5.02 0.49 -5.26 118.16 119.23 1i4z n LYS 112 Ca 0.00 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 1i4z n LYS 112 Cb 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1i4z n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32