#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iy4 s VAL 2 N 0.00 4.82 0.00 3.15 1.01 -1.21 -4.57 120.40 123.59 1iy4 s VAL 2 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1iy4 s VAL 2 Cb 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1iy4 s VAL 2 CO 0.00 -0.61 0.00 0.33 0.00 0.00 0.00 175.10 174.82 1iy4 n PHE 3 N 6.28 -0.91 -0.82 5.22 -0.00 -1.26 -5.06 117.46 120.92 1iy4 n PHE 3 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.32 1iy4 n PHE 3 Cb 0.48 0.00 0.09 0.00 -0.00 0.00 0.00 39.48 40.05 1iy4 n PHE 3 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1iy4 n GLU 4 N -0.30 -1.62 0.10 -4.13 1.02 -1.26 -4.92 120.64 109.53 1iy4 n GLU 4 Ca 0.00 -0.70 -0.16 0.00 -0.02 0.00 0.00 57.16 56.27 1iy4 n GLU 4 Cb 0.00 -0.62 -0.11 0.00 -0.02 0.00 0.00 31.44 30.69 1iy4 n GLU 4 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iy4 h ARG 5 N 0.00 0.37 -0.60 3.49 3.08 -2.01 -3.25 114.38 115.45 1iy4 h ARG 5 Ca -0.16 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.36 1iy4 h ARG 5 Cb 0.48 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1iy4 h ARG 5 CO 0.11 1.22 0.00 0.00 -1.07 0.00 0.00 179.97 180.22 1iy4 n GLU 7 N 0.50 0.64 0.17 0.00 4.07 -1.22 -4.16 120.64 120.64 1iy4 n GLU 7 Ca 0.14 0.38 0.03 0.00 -0.06 0.00 0.00 57.16 57.65 1iy4 n GLU 7 Cb 0.57 -1.68 0.29 0.00 -0.06 0.00 0.00 31.44 30.57 1iy4 n GLU 7 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1iy4 h LEU 8 N -0.54 0.00 -2.14 4.31 5.85 -1.74 -2.68 115.31 118.37 1iy4 h LEU 8 Ca -0.45 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.30 1iy4 h LEU 8 Cb 1.66 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 1iy4 h LEU 8 CO -0.13 0.46 0.09 0.00 -0.34 0.00 0.00 178.44 178.53 1iy4 h ALA 9 N 1.54 1.95 0.04 1.25 0.00 -1.74 0.34 119.26 122.63 1iy4 h ALA 9 Ca -0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1iy4 h ALA 9 Cb 0.92 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1iy4 h ALA 9 CO 0.06 -0.15 -1.04 -0.09 0.00 0.00 0.00 179.25 178.02 1iy4 h ARG 10 N 0.00 0.46 -0.16 0.00 2.43 -1.64 -2.36 114.38 113.10 1iy4 h ARG 10 Ca 0.05 -0.54 -0.19 0.00 -0.81 0.00 0.00 59.98 58.49 1iy4 h ARG 10 Cb 0.24 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1iy4 h ARG 10 CO -0.00 1.19 -0.67 1.15 -1.51 0.00 0.00 179.97 180.13 1iy4 h THR 11 N 0.24 1.31 -0.10 0.20 2.02 -1.07 -2.67 112.91 112.84 1iy4 h THR 11 Ca -0.11 -1.93 -0.02 0.00 0.77 0.00 0.00 66.41 65.12 1iy4 h THR 11 Cb 1.70 1.90 -0.00 0.00 -1.74 0.00 0.00 68.15 70.01 1iy4 h THR 11 CO 0.19 0.60 -0.01 -0.07 0.37 0.00 0.00 175.52 176.60 1iy4 h LEU 12 N 0.46 0.18 -0.14 2.58 -0.00 -0.45 -2.49 115.31 115.46 1iy4 h LEU 12 Ca -0.02 -0.32 0.01 0.00 -0.00 0.00 0.00 57.88 57.55 1iy4 h LEU 12 Cb 1.26 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 1iy4 h LEU 12 CO 0.13 0.46 0.06 0.50 -0.00 0.00 0.00 178.44 179.59 1iy4 h LYS 13 N -0.10 0.13 -0.49 1.13 3.11 -1.47 -2.02 116.57 116.86 1iy4 h LYS 13 Ca 0.03 -0.01 0.08 0.00 -2.81 0.00 0.00 60.65 57.94 1iy4 h LYS 13 Cb 0.37 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.54 1iy4 h LYS 13 CO 0.01 0.09 0.33 -0.09 -2.81 0.00 0.00 179.45 176.98 1iy4 h ARG 14 N 0.14 0.31 -0.15 1.90 2.43 -1.47 -2.34 114.38 115.19 1iy4 h ARG 14 Ca 0.06 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1iy4 h ARG 14 Cb 0.02 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1iy4 h ARG 14 CO -0.04 0.20 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.29 1iy4 h LEU 15 N 0.32 0.49 0.00 3.80 3.38 -0.90 -3.48 115.31 118.91 1iy4 h LEU 15 Ca 0.22 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1iy4 h LEU 15 Cb 0.47 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1iy4 h LEU 15 CO -0.05 0.93 0.00 0.61 0.09 0.00 0.00 178.44 180.02 1iy4 n GLY 16 N 0.37 0.05 0.14 0.83 0.00 -0.88 -5.00 105.19 100.69 1iy4 n GLY 16 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1iy4 n GLY 16 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1iy4 h MET 17 N 0.00 0.00 -6.26 1.61 -1.53 -1.77 -3.40 114.93 103.58 1iy4 h MET 17 Ca 0.00 0.00 -0.55 0.00 -3.44 0.00 0.00 59.70 55.71 1iy4 h MET 17 Cb 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.06 1iy4 h MET 17 CO 0.00 0.00 1.27 0.16 0.14 0.00 0.00 176.91 178.48 1iy4 s ASP 18 N -4.39 6.25 -1.23 1.39 -4.77 -1.26 -1.19 116.67 111.47 1iy4 s ASP 18 Ca 0.05 2.40 0.00 0.00 -3.30 0.00 0.00 52.55 51.70 1iy4 s ASP 18 Cb 0.09 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.40 1iy4 s ASP 18 CO 0.42 -1.25 0.00 0.61 0.70 0.00 0.00 175.17 175.65 1iy4 n GLY 19 N 4.78 0.78 3.63 2.12 0.00 -1.25 -4.97 105.19 110.28 1iy4 n GLY 19 Ca 0.22 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1iy4 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1iy4 s TYR 20 N -2.52 3.30 -1.69 1.61 5.04 -0.33 -4.09 117.35 118.67 1iy4 s TYR 20 Ca 0.00 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.46 1iy4 s TYR 20 Cb 0.00 -2.81 0.00 0.00 0.35 0.00 0.00 41.96 39.50 1iy4 s TYR 20 CO 0.00 -0.28 0.00 0.54 -1.34 0.00 0.00 175.55 174.47 1iy4 n ARG 21 N 5.51 -1.56 0.00 4.97 5.12 -1.26 -0.84 116.66 128.61 1iy4 n ARG 21 Ca -0.01 0.95 0.00 0.00 -1.93 0.00 0.00 57.85 56.85 1iy4 n ARG 21 Cb 0.49 -5.37 0.00 0.00 -1.16 0.00 0.00 32.46 26.42 1iy4 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1iy4 n GLY 22 N -0.52 2.32 3.48 -0.13 0.00 -1.26 -4.99 105.19 104.09 1iy4 n GLY 22 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1iy4 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iy4 s ILE 23 N -2.27 4.23 1.11 -0.61 -1.09 -0.02 -4.92 121.20 117.63 1iy4 s ILE 23 Ca 0.00 -0.43 -0.17 0.00 -2.23 0.00 0.00 60.65 57.82 1iy4 s ILE 23 Cb 0.00 -4.78 0.25 0.00 -1.58 0.00 0.00 42.46 36.35 1iy4 s ILE 23 CO 0.00 -1.58 1.16 -0.44 -1.23 0.00 0.00 174.94 172.85 1iy4 s SER 24 N 3.80 1.75 0.25 3.58 0.01 -1.26 -3.54 113.70 118.28 1iy4 s SER 24 Ca 0.28 0.61 -0.05 0.00 1.31 0.00 0.00 55.95 58.10 1iy4 s SER 24 Cb -0.12 -0.86 0.28 0.00 0.21 0.00 0.00 66.02 65.53 1iy4 s SER 24 CO 0.06 -3.61 1.83 -0.07 0.41 0.00 0.00 173.24 171.86 1iy4 h LEU 25 N -2.23 0.98 -0.87 2.44 4.07 -1.94 -2.63 115.31 115.14 1iy4 h LEU 25 Ca -0.46 -0.14 -0.12 0.00 0.08 0.00 0.00 57.88 57.25 1iy4 h LEU 25 Cb 1.29 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.76 1iy4 h LEU 25 CO 0.39 0.87 -0.46 0.00 -1.08 0.00 0.00 178.44 178.16 1iy4 h ALA 26 N 1.28 1.04 -0.77 1.53 0.00 -1.92 0.25 119.26 120.67 1iy4 h ALA 26 Ca 0.25 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1iy4 h ALA 26 Cb 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1iy4 h ALA 26 CO -0.02 0.63 0.32 -0.91 0.00 0.00 0.00 179.25 179.26 1iy4 h ASN 27 N 0.20 1.05 0.80 0.00 2.35 -1.82 0.16 115.58 118.31 1iy4 h ASN 27 Ca 0.01 -0.16 -0.25 0.00 -0.55 0.00 0.00 56.30 55.35 1iy4 h ASN 27 Cb 0.89 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1iy4 h ASN 27 CO 0.07 0.92 -1.18 -0.25 -1.65 0.00 0.00 177.43 175.34 1iy4 h TRP 28 N 1.10 0.19 -0.29 1.19 7.01 -1.41 -3.26 115.95 120.49 1iy4 h TRP 28 Ca 0.26 -0.14 -0.11 0.00 2.11 0.00 0.00 58.89 61.01 1iy4 h TRP 28 Cb 0.19 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.23 1iy4 h TRP 28 CO 0.02 1.12 -0.29 1.98 -2.79 0.00 0.00 178.44 178.48 1iy4 h MET 29 N 0.03 0.59 -0.08 2.65 4.05 -0.63 0.66 114.93 122.20 1iy4 h MET 29 Ca -0.09 -0.25 -0.05 0.00 -0.28 0.00 0.00 59.70 59.03 1iy4 h MET 29 Cb 1.87 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.64 1iy4 h MET 29 CO 0.15 0.81 -0.20 0.00 0.23 0.00 0.00 176.91 177.90 1iy4 n LEU 31 N -4.25 2.85 0.27 0.00 7.94 -1.07 -4.12 117.00 118.62 1iy4 n LEU 31 Ca -0.01 -0.08 -0.16 0.00 -1.11 0.00 0.00 56.01 54.65 1iy4 n LEU 31 Cb 0.29 -0.76 -0.08 0.00 0.53 0.00 0.00 43.42 43.41 1iy4 n LEU 31 CO 0.38 0.83 0.69 0.00 -1.11 0.00 0.00 177.39 178.17 1iy4 h ALA 32 N -0.09 -0.70 0.00 1.96 0.00 0.24 0.21 119.26 120.89 1iy4 h ALA 32 Ca -0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1iy4 h ALA 32 Cb 1.73 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 1iy4 h ALA 32 CO -0.10 -0.90 -0.07 1.57 0.00 0.00 0.00 179.25 179.75 1iy4 h LYS 33 N -0.70 0.00 0.17 0.00 5.09 -1.70 -0.29 116.57 119.14 1iy4 h LYS 33 Ca -0.06 0.00 -0.27 0.00 0.09 0.00 0.00 60.65 60.41 1iy4 h LYS 33 Cb 0.57 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.91 1iy4 h LYS 33 CO 0.07 0.07 -1.27 2.35 -2.09 0.00 0.00 179.45 178.58 1iy4 h TRP 34 N 0.00 0.66 0.00 0.07 7.01 -1.58 -0.65 115.95 121.47 1iy4 h TRP 34 Ca -0.00 -0.48 -0.00 0.00 2.11 0.00 0.00 58.89 60.51 1iy4 h TRP 34 Cb 0.26 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.29 1iy4 h TRP 34 CO 0.00 1.49 -0.02 1.05 -2.79 0.00 0.00 178.44 178.17 1iy4 h GLU 35 N -0.15 0.00 0.00 2.65 4.11 -0.36 -3.42 114.58 117.41 1iy4 h GLU 35 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1iy4 h GLU 35 Cb 1.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1iy4 h GLU 35 CO 0.17 0.02 -0.01 0.43 0.07 0.00 0.00 179.01 179.69 1iy4 n SER 36 N -3.11 -0.04 0.00 3.06 7.64 -0.16 -4.96 113.62 116.06 1iy4 n SER 36 Ca 0.03 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1iy4 n SER 36 Cb 0.48 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1iy4 n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iy4 n GLY 37 N 1.52 0.79 3.03 0.23 0.00 -0.25 -4.52 105.19 106.00 1iy4 n GLY 37 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 1iy4 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iy4 n TYR 38 N 0.00 -1.72 -3.92 1.61 4.01 -1.26 -4.68 117.16 111.19 1iy4 n TYR 38 Ca 0.00 0.36 -0.33 0.00 -0.16 0.00 0.00 57.90 57.77 1iy4 n TYR 38 Cb 0.00 -3.32 -0.14 0.00 -0.31 0.00 0.00 39.34 35.57 1iy4 n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1iy4 s ASN 39 N -2.53 4.85 0.56 7.72 2.47 -1.26 -3.35 114.94 123.38 1iy4 s ASN 39 Ca 0.27 -2.34 0.32 0.00 0.42 0.00 0.00 52.86 51.54 1iy4 s ASN 39 Cb -0.14 -1.70 1.65 0.00 -1.45 0.00 0.00 41.25 39.62 1iy4 s ASN 39 CO 0.33 -0.39 2.12 0.00 -3.72 0.00 0.00 177.10 175.45 1iy4 h THR 40 N 6.25 0.35 -0.39 -5.21 1.03 -1.85 -1.77 112.91 111.32 1iy4 h THR 40 Ca -0.07 -0.40 0.00 0.00 -0.01 0.00 0.00 66.41 65.93 1iy4 h THR 40 Cb 1.00 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 69.37 1iy4 h THR 40 CO 0.61 0.07 0.00 -2.11 -0.01 0.00 0.00 175.52 174.08 1iy4 n ARG 41 N -3.43 2.39 -2.19 0.00 1.85 -1.26 -1.74 116.66 112.27 1iy4 n ARG 41 Ca -0.02 -1.59 -0.31 0.00 -1.00 0.00 0.00 57.85 54.93 1iy4 n ARG 41 Cb 0.21 -1.53 -0.05 0.00 -1.05 0.00 0.00 32.46 30.04 1iy4 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1iy4 s ALA 42 N -1.63 2.02 -0.05 2.89 0.00 -0.67 -4.92 121.76 119.40 1iy4 s ALA 42 Ca 0.29 -1.91 0.04 0.00 0.00 0.00 0.00 51.96 50.38 1iy4 s ALA 42 Cb 0.18 -4.59 -0.02 0.00 0.00 0.00 0.00 23.12 18.69 1iy4 s ALA 42 CO 0.15 -4.57 -0.17 0.95 0.00 0.00 0.00 175.76 172.12 1iy4 s THR 43 N 8.89 2.80 0.04 0.00 -4.23 -1.26 -4.51 115.64 117.37 1iy4 s THR 43 Ca 0.64 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 60.30 1iy4 s THR 43 Cb -0.03 -2.08 -0.02 0.00 1.34 0.00 0.00 72.50 71.71 1iy4 s THR 43 CO 0.02 0.58 0.05 0.54 -0.54 0.00 0.00 174.62 175.26 1iy4 s ASN 44 N -0.54 0.29 0.57 3.99 2.20 -1.26 -4.98 114.94 115.22 1iy4 s ASN 44 Ca 0.07 -0.70 -0.13 0.00 -0.94 0.00 0.00 52.86 51.16 1iy4 s ASN 44 Cb -0.11 0.21 -0.05 0.00 -2.00 0.00 0.00 41.25 39.29 1iy4 s ASN 44 CO 0.01 -0.53 1.00 -0.31 -2.94 0.00 0.00 177.10 174.32 1iy4 s TYR 45 N -3.03 3.56 -0.22 1.54 1.51 -1.26 -3.50 117.35 115.94 1iy4 s TYR 45 Ca -0.01 1.33 -0.04 0.00 -1.01 0.00 0.00 57.07 57.33 1iy4 s TYR 45 Cb 0.01 -2.72 -0.01 0.00 -0.11 0.00 0.00 41.96 39.13 1iy4 s TYR 45 CO -0.07 -0.54 -0.03 -0.80 -1.11 0.00 0.00 175.55 173.01 1iy4 s ASN 46 N -3.74 4.41 0.20 2.29 0.01 -0.79 -4.98 114.94 112.34 1iy4 s ASN 46 Ca 0.56 -0.36 0.24 0.00 -0.71 0.00 0.00 52.86 52.59 1iy4 s ASN 46 Cb -0.11 -1.76 0.91 0.00 0.41 0.00 0.00 41.25 40.70 1iy4 s ASN 46 CO 0.45 -0.02 1.73 0.00 -1.51 0.00 0.00 177.10 177.75 1iy4 n ALA 47 N 4.79 1.93 -0.13 0.60 0.00 -1.26 -0.11 120.51 126.34 1iy4 n ALA 47 Ca -0.18 0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 1iy4 n ALA 47 Cb 0.51 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.44 1iy4 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iy4 n GLY 48 N 0.58 -0.41 0.22 0.00 0.00 -1.26 -4.58 105.19 99.74 1iy4 n GLY 48 Ca 0.04 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.00 1iy4 n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iy4 n ASP 49 N -3.69 1.40 -1.62 1.61 8.00 -1.25 -4.97 116.55 116.03 1iy4 n ASP 49 Ca -0.49 -1.20 -0.18 0.00 0.71 0.00 0.00 54.79 53.63 1iy4 n ASP 49 Cb 0.95 0.74 -0.07 0.00 -0.02 0.00 0.00 41.12 42.72 1iy4 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1iy4 n ARG 50 N -0.76 -1.45 -2.98 -1.24 1.74 0.84 -4.96 116.66 107.86 1iy4 n ARG 50 Ca 0.06 1.04 -0.19 0.00 -0.77 0.00 0.00 57.85 57.99 1iy4 n ARG 50 Cb 0.36 -5.41 0.05 0.00 -1.02 0.00 0.00 32.46 26.45 1iy4 n ARG 50 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1iy4 n SER 51 N -1.15 2.08 -4.04 0.55 7.64 -1.26 -4.76 113.62 112.68 1iy4 n SER 51 Ca -0.18 -2.49 -0.21 0.00 1.01 0.00 0.00 58.87 57.00 1iy4 n SER 51 Cb 0.60 -0.34 -0.15 0.00 -1.01 0.00 0.00 64.21 63.31 1iy4 n SER 51 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1iy4 s THR 52 N -2.39 0.91 0.04 0.44 2.01 -1.26 -1.89 115.64 113.50 1iy4 s THR 52 Ca 0.52 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.06 1iy4 s THR 52 Cb -0.04 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 1iy4 s THR 52 CO 0.33 0.27 0.21 1.51 -0.69 0.00 0.00 174.62 176.26 1iy4 s ASP 53 N 0.01 6.38 -0.04 3.53 -4.77 -1.23 -3.28 116.67 117.28 1iy4 s ASP 53 Ca -0.01 0.32 -0.01 0.00 -3.30 0.00 0.00 52.55 49.55 1iy4 s ASP 53 Cb -0.08 -1.98 0.03 0.00 -1.09 0.00 0.00 42.92 39.80 1iy4 s ASP 53 CO 0.00 0.19 0.06 -0.31 0.70 0.00 0.00 175.17 175.82 1iy4 s TYR 54 N -1.46 0.03 0.00 2.11 2.02 0.20 -4.09 117.35 116.16 1iy4 s TYR 54 Ca 0.33 0.25 0.00 0.00 -0.37 0.00 0.00 57.07 57.28 1iy4 s TYR 54 Cb -0.13 -0.38 0.00 0.00 -0.40 0.00 0.00 41.96 41.05 1iy4 s TYR 54 CO 0.25 -0.16 0.00 0.41 -1.57 0.00 0.00 175.55 174.47 1iy4 n GLY 55 N 4.91 3.57 0.23 0.71 0.00 -0.71 -3.58 105.19 110.32 1iy4 n GLY 55 Ca -0.12 -1.67 0.15 0.00 0.00 0.00 0.00 46.02 44.38 1iy4 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1iy4 h ILE 56 N 0.96 0.00 -0.55 -0.61 2.10 -1.69 -3.08 117.51 114.65 1iy4 h ILE 56 Ca 0.00 -0.56 -0.34 0.00 1.08 0.00 0.00 64.86 65.04 1iy4 h ILE 56 Cb 0.00 1.52 -0.21 0.00 -1.09 0.00 0.00 36.82 37.05 1iy4 h ILE 56 CO 0.00 0.00 -0.08 0.33 -1.08 0.00 0.00 178.15 177.32 1iy4 n PHE 57 N -2.92 1.79 -3.76 2.19 7.35 -1.26 -4.50 117.46 116.36 1iy4 n PHE 57 Ca 0.02 -1.94 -0.29 0.00 -0.76 0.00 0.00 57.45 54.48 1iy4 n PHE 57 Cb 0.35 -0.61 0.02 0.00 0.35 0.00 0.00 39.48 39.59 1iy4 n PHE 57 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 1iy4 n GLN 58 N -1.02 -2.20 -2.58 -4.13 -0.06 -1.16 -4.89 117.38 101.35 1iy4 n GLN 58 Ca 0.41 0.46 -0.43 0.00 -2.00 0.00 0.00 57.00 55.43 1iy4 n GLN 58 Cb 1.00 -4.35 -0.02 0.00 -4.06 0.00 0.00 30.24 22.81 1iy4 n GLN 58 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1iy4 s ILE 59 N -3.63 4.54 0.37 1.69 -1.09 -1.23 -4.77 121.20 117.07 1iy4 s ILE 59 Ca 0.29 1.85 -0.09 0.00 -2.23 0.00 0.00 60.65 60.47 1iy4 s ILE 59 Cb -0.10 -4.20 -0.06 0.00 -1.58 0.00 0.00 42.46 36.51 1iy4 s ILE 59 CO 0.86 -0.17 0.71 0.20 -1.23 0.00 0.00 174.94 175.31 1iy4 s ASN 60 N 1.49 6.51 -0.09 3.58 0.01 -1.26 0.63 114.94 125.81 1iy4 s ASN 60 Ca 0.48 1.02 0.13 0.00 -0.71 0.00 0.00 52.86 53.78 1iy4 s ASN 60 Cb -0.17 -2.27 0.54 0.00 0.41 0.00 0.00 41.25 39.75 1iy4 s ASN 60 CO 0.09 -0.33 1.40 -1.54 -1.51 0.00 0.00 177.10 175.21 1iy4 n SER 61 N -1.13 3.71 0.02 -1.22 3.41 -1.20 -3.03 113.62 114.17 1iy4 n SER 61 Ca 0.01 -2.36 -0.21 0.00 -0.26 0.00 0.00 58.87 56.05 1iy4 n SER 61 Cb 0.54 -0.51 -0.14 0.00 -0.26 0.00 0.00 64.21 63.84 1iy4 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1iy4 h ARG 62 N 3.00 0.29 0.00 4.33 2.43 -1.89 -3.40 114.38 119.14 1iy4 h ARG 62 Ca 0.00 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1iy4 h ARG 62 Cb 1.18 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1iy4 h ARG 62 CO 0.19 1.21 -0.06 0.98 -1.51 0.00 0.00 179.97 180.78 1iy4 n TYR 63 N -3.49 0.00 0.00 2.20 9.36 -1.26 -3.12 117.16 120.85 1iy4 n TYR 63 Ca -0.29 -0.15 0.00 0.00 3.32 0.00 0.00 57.90 60.78 1iy4 n TYR 63 Cb 1.06 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 39.74 1iy4 n TYR 63 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1iy4 n TRP 64 N -0.16 0.00 -3.98 2.98 5.03 -1.21 -3.79 117.44 116.31 1iy4 n TRP 64 Ca 0.01 0.00 -0.11 0.00 3.03 0.00 0.00 57.50 60.42 1iy4 n TRP 64 Cb 0.48 0.00 -0.12 0.00 -1.03 0.00 0.00 31.31 30.64 1iy4 n TRP 64 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1iy4 s ASN 66 N -0.90 6.21 -0.18 0.00 2.47 -1.25 -4.12 114.94 117.15 1iy4 s ASN 66 Ca -0.08 -0.48 -0.03 0.00 0.42 0.00 0.00 52.86 52.68 1iy4 s ASN 66 Cb -0.06 -2.22 -0.22 0.00 -1.45 0.00 0.00 41.25 37.29 1iy4 s ASN 66 CO -0.00 -0.52 0.10 -0.67 -3.72 0.00 0.00 177.10 172.29 1iy4 n ASP 67 N 5.59 2.06 0.00 -4.21 -0.08 -1.26 -4.36 116.55 114.29 1iy4 n ASP 67 Ca -0.07 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1iy4 n ASP 67 Cb 0.48 -0.66 0.00 0.00 2.34 0.00 0.00 41.12 43.28 1iy4 n ASP 67 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1iy4 n GLY 68 N 2.11 1.14 0.00 0.27 0.00 -1.26 -4.96 105.19 102.50 1iy4 n GLY 68 Ca -0.38 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.64 1iy4 n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iy4 n LYS 69 N 0.00 2.30 -2.15 1.61 4.01 -1.26 -4.99 118.16 117.67 1iy4 n LYS 69 Ca 0.00 -0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.37 1iy4 n LYS 69 Cb 0.00 -1.01 -0.02 0.00 -0.51 0.00 0.00 35.03 33.48 1iy4 n LYS 69 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1iy4 s THR 70 N -2.03 3.80 0.19 -0.18 -4.23 -1.26 -4.97 115.64 106.96 1iy4 s THR 70 Ca -0.00 0.95 -0.30 0.00 -1.18 0.00 0.00 61.69 61.15 1iy4 s THR 70 Cb 0.00 -3.69 -0.08 0.00 1.34 0.00 0.00 72.50 70.07 1iy4 s THR 70 CO 0.02 -0.17 1.21 -2.16 -0.54 0.00 0.00 174.62 172.99 1iy4 s PRO 71 N 4.13 4.48 -0.60 3.99 0.04 -1.26 -3.03 135.00 142.74 1iy4 s PRO 71 Ca 0.68 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1iy4 s PRO 71 Cb -0.27 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1iy4 s PRO 71 CO 0.26 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.59 1iy4 n GLY 72 N 2.21 0.24 3.55 0.56 0.00 -1.26 -4.93 105.19 105.55 1iy4 n GLY 72 Ca 0.05 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 1iy4 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iy4 s ALA 73 N -2.32 2.12 -0.65 4.61 0.00 -1.17 -4.69 121.76 119.65 1iy4 s ALA 73 Ca 0.00 -0.56 0.26 0.00 0.00 0.00 0.00 51.96 51.65 1iy4 s ALA 73 Cb 0.00 -4.31 0.80 0.00 0.00 0.00 0.00 23.12 19.61 1iy4 s ALA 73 CO 0.00 -3.95 1.76 -0.24 0.00 0.00 0.00 175.76 173.33 1iy4 h VAL 74 N 6.98 0.00 -5.85 0.00 3.04 -1.83 -3.45 116.25 115.14 1iy4 h VAL 74 Ca -0.26 -0.50 -0.34 0.00 -1.01 0.00 0.00 66.70 64.59 1iy4 h VAL 74 Cb 1.17 1.46 0.01 0.00 -2.01 0.00 0.00 31.29 31.93 1iy4 h VAL 74 CO 1.21 0.00 -0.98 -0.46 -1.01 0.00 0.00 177.57 176.33 1iy4 n ASN 75 N -2.37 -4.33 -0.20 3.17 6.94 -1.26 -4.83 115.26 112.39 1iy4 n ASN 75 Ca 0.05 -0.26 -0.01 0.00 -0.02 0.00 0.00 54.58 54.34 1iy4 n ASN 75 Cb 0.41 -1.29 0.22 0.00 -2.36 0.00 0.00 39.78 36.76 1iy4 n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iy4 h ALA 76 N 1.62 1.37 0.00 -2.53 0.00 -1.53 -1.38 119.26 116.81 1iy4 h ALA 76 Ca -0.48 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1iy4 h ALA 76 Cb 1.15 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1iy4 h ALA 76 CO 0.21 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.98 1iy4 n HIS 78 N -3.02 -0.89 -4.29 0.00 -0.00 -0.52 -4.98 115.22 101.51 1iy4 n HIS 78 Ca 0.01 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.03 1iy4 n HIS 78 Cb 0.33 -3.85 -0.10 0.00 -0.12 0.00 0.00 29.99 26.24 1iy4 n HIS 78 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1iy4 s LEU 79 N -5.74 2.51 0.68 0.27 2.96 -1.26 -5.06 118.68 113.04 1iy4 s LEU 79 Ca 0.00 -1.04 -0.14 0.00 -0.22 0.00 0.00 54.13 52.73 1iy4 s LEU 79 Cb 0.00 -0.45 0.01 0.00 0.50 0.00 0.00 46.19 46.25 1iy4 s LEU 79 CO 0.00 -0.30 1.11 -0.94 -1.32 0.00 0.00 176.35 174.90 1iy4 s SER 80 N -3.23 4.98 0.00 3.68 1.04 -1.26 -3.94 113.70 114.97 1iy4 s SER 80 Ca 0.20 1.97 0.20 0.00 0.48 0.00 0.00 55.95 58.80 1iy4 s SER 80 Cb 0.02 -2.55 0.92 0.00 0.10 0.00 0.00 66.02 64.51 1iy4 s SER 80 CO 0.04 -1.72 1.64 0.00 0.98 0.00 0.00 173.24 174.18 1iy4 h SER 82 N 0.00 0.00 -0.42 0.00 0.87 -1.96 -2.98 113.55 109.06 1iy4 h SER 82 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1iy4 h SER 82 Cb 0.28 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1iy4 h SER 82 CO 0.00 0.23 0.23 0.00 -0.53 0.00 0.00 176.83 176.75 1iy4 h ALA 83 N 1.77 0.54 0.00 6.23 0.00 -1.94 -2.08 119.26 123.78 1iy4 h ALA 83 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1iy4 h ALA 83 Cb 0.51 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1iy4 h ALA 83 CO 0.03 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1iy4 n LEU 84 N -4.72 0.00 0.19 0.00 4.77 -1.14 -3.15 117.00 112.95 1iy4 n LEU 84 Ca 0.01 0.46 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 1iy4 n LEU 84 Cb 0.08 -0.46 0.25 0.00 -2.33 0.00 0.00 43.42 40.96 1iy4 n LEU 84 CO 0.36 -0.04 0.84 0.25 -1.33 0.00 0.00 177.39 177.46 1iy4 h LEU 85 N 0.00 0.00 -9.90 2.23 6.46 -1.23 -2.94 115.31 109.93 1iy4 h LEU 85 Ca 0.00 0.00 -0.58 0.00 -0.12 0.00 0.00 57.88 57.18 1iy4 h LEU 85 Cb 0.42 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 1iy4 h LEU 85 CO 0.00 0.00 -0.51 -1.10 -0.62 0.00 0.00 178.44 176.21 1iy4 s GLN 86 N -3.18 3.26 0.61 1.25 -0.21 -1.19 -4.39 119.66 115.81 1iy4 s GLN 86 Ca 0.08 -0.61 0.36 0.00 0.02 0.00 0.00 55.36 55.21 1iy4 s GLN 86 Cb 0.07 -2.90 2.00 0.00 1.00 0.00 0.00 33.01 33.19 1iy4 s GLN 86 CO 0.65 0.55 2.26 0.22 -2.12 0.00 0.00 175.29 176.84 1iy4 h ASP 87 N 2.64 0.00 -0.78 5.90 3.58 -1.88 -3.36 116.42 122.53 1iy4 h ASP 87 Ca -0.47 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 56.55 1iy4 h ASP 87 Cb 1.18 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.17 1iy4 h ASP 87 CO 0.69 0.02 1.19 0.21 -2.88 0.00 0.00 179.24 178.48 1iy4 s ASN 88 N -5.67 5.68 -0.10 2.28 2.47 -1.26 -4.82 114.94 113.51 1iy4 s ASN 88 Ca -0.04 -1.32 -0.04 0.00 0.42 0.00 0.00 52.86 51.88 1iy4 s ASN 88 Cb 0.13 -2.57 -0.14 0.00 -1.45 0.00 0.00 41.25 37.22 1iy4 s ASN 88 CO 0.49 -2.30 3.14 2.30 -3.72 0.00 0.00 177.10 177.01 1iy4 n ILE 89 N 7.42 2.90 0.09 -5.21 -5.35 -1.26 -4.49 119.36 113.46 1iy4 n ILE 89 Ca 0.41 -1.65 -0.04 0.00 -0.27 0.00 0.00 62.75 61.19 1iy4 n ILE 89 Cb 0.48 -1.81 -0.02 0.00 -1.74 0.00 0.00 39.64 36.54 1iy4 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1iy4 h ALA 90 N 2.63 -0.39 0.00 -1.28 0.00 -1.89 -2.76 119.26 115.57 1iy4 h ALA 90 Ca 0.21 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1iy4 h ALA 90 Cb 1.26 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1iy4 h ALA 90 CO 0.35 -0.37 -0.62 -0.44 0.00 0.00 0.00 179.25 178.16 1iy4 h ASP 91 N -0.74 0.00 0.30 0.00 3.32 -1.90 -3.28 116.42 114.13 1iy4 h ASP 91 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1iy4 h ASP 91 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1iy4 h ASP 91 CO 0.05 0.30 -0.15 0.00 -1.72 0.00 0.00 179.24 177.72 1iy4 h ALA 92 N 1.70 -0.41 0.00 3.45 0.00 -1.76 -1.40 119.26 120.85 1iy4 h ALA 92 Ca -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1iy4 h ALA 92 Cb 1.25 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1iy4 h ALA 92 CO 0.03 -0.68 -0.05 -0.24 0.00 0.00 0.00 179.25 178.32 1iy4 h VAL 93 N -0.50 0.96 -0.31 0.00 3.04 -1.61 -1.16 116.25 116.66 1iy4 h VAL 93 Ca -0.04 -0.16 -0.10 0.00 -1.01 0.00 0.00 66.70 65.38 1iy4 h VAL 93 Cb 0.38 1.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.73 1iy4 h VAL 93 CO 0.07 0.05 -0.22 0.00 -1.01 0.00 0.00 177.57 176.46 1iy4 h ALA 94 N 1.95 1.03 -0.24 3.17 0.00 -1.46 -0.88 119.26 122.84 1iy4 h ALA 94 Ca -0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1iy4 h ALA 94 Cb 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1iy4 h ALA 94 CO 0.01 0.58 -0.31 0.00 0.00 0.00 0.00 179.25 179.53 1iy4 h ALA 96 N 0.66 1.16 -0.68 0.00 0.00 -1.24 -2.77 119.26 116.39 1iy4 h ALA 96 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1iy4 h ALA 96 Cb 0.89 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1iy4 h ALA 96 CO 0.07 0.13 0.44 0.87 0.00 0.00 0.00 179.25 180.76 1iy4 h LYS 97 N 0.00 0.91 -0.46 0.00 1.79 -0.90 -1.50 116.57 116.40 1iy4 h LYS 97 Ca -0.00 -0.06 0.13 0.00 -2.18 0.00 0.00 60.65 58.54 1iy4 h LYS 97 Cb 0.39 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1iy4 h LYS 97 CO 0.01 0.61 0.34 -0.09 -1.08 0.00 0.00 179.45 179.24 1iy4 h ARG 98 N 0.92 0.00 -0.56 3.15 9.65 -1.55 0.74 114.38 126.74 1iy4 h ARG 98 Ca 0.25 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 59.04 1iy4 h ARG 98 Cb -0.08 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 1iy4 h ARG 98 CO -0.05 0.00 -0.00 0.28 2.80 0.00 0.00 179.97 182.99 1iy4 h VAL 99 N 0.00 1.26 -0.02 0.20 2.07 -1.39 -2.78 116.25 115.59 1iy4 h VAL 99 Ca 0.22 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1iy4 h VAL 99 Cb 0.89 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1iy4 h VAL 99 CO -0.00 0.40 -0.04 1.33 0.02 0.00 0.00 177.57 179.28 1iy4 n VAL 100 N -4.19 0.00 0.16 2.57 0.24 -0.16 -4.09 118.33 112.86 1iy4 n VAL 100 Ca 0.03 -0.36 0.03 0.00 -2.04 0.00 0.00 64.34 62.00 1iy4 n VAL 100 Cb 0.33 0.98 0.18 0.00 -1.47 0.00 0.00 33.84 33.87 1iy4 n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1iy4 h ARG 101 N 3.36 0.00 0.00 7.34 2.47 -0.64 -3.33 114.38 123.58 1iy4 h ARG 101 Ca 0.00 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.42 1iy4 h ARG 101 Cb 0.74 0.00 0.16 0.00 -1.65 0.00 0.00 29.97 29.22 1iy4 h ARG 101 CO 0.00 0.48 -0.05 -0.25 0.56 0.00 0.00 179.97 180.71 1iy4 n ASP 102 N -3.42 -3.03 0.05 7.04 8.00 -1.24 -4.88 116.55 119.08 1iy4 n ASP 102 Ca 0.01 -0.82 0.10 0.00 0.71 0.00 0.00 54.79 54.79 1iy4 n ASP 102 Cb 0.63 -0.78 0.42 0.00 -0.02 0.00 0.00 41.12 41.37 1iy4 n ASP 102 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1iy4 n PRO 103 N -4.68 0.09 -0.06 -0.24 -0.04 -1.26 -3.49 135.00 125.31 1iy4 n PRO 103 Ca 0.11 0.26 -0.08 0.00 -0.04 0.00 0.00 63.50 63.75 1iy4 n PRO 103 Cb 0.47 -1.65 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 1iy4 n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1iy4 h GLN 104 N 0.00 0.00 0.00 0.54 4.20 -1.89 -3.50 115.11 114.45 1iy4 h GLN 104 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1iy4 h GLN 104 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1iy4 h GLN 104 CO 0.00 0.53 0.00 0.41 -0.67 0.00 0.00 178.83 179.10 1iy4 n GLY 105 N 1.67 0.84 0.51 3.46 0.00 -1.23 -3.99 105.19 106.45 1iy4 n GLY 105 Ca -0.07 -1.38 0.10 0.00 0.00 0.00 0.00 46.02 44.68 1iy4 n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1iy4 n ILE 106 N 0.00 0.20 0.50 -0.61 0.00 -1.26 -4.00 119.36 114.19 1iy4 n ILE 106 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 62.75 62.47 1iy4 n ILE 106 Cb 0.00 0.31 0.17 0.00 0.00 0.00 0.00 39.64 40.12 1iy4 n ILE 106 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1iy4 n ARG 107 N 0.24 2.33 0.23 9.51 1.85 -1.26 -4.23 116.66 125.32 1iy4 n ARG 107 Ca 0.16 -1.37 0.07 0.00 -1.00 0.00 0.00 57.85 55.71 1iy4 n ARG 107 Cb 0.31 -1.57 0.55 0.00 -1.05 0.00 0.00 32.46 30.69 1iy4 n ARG 107 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1iy4 h ALA 108 N 3.29 1.47 -2.75 2.89 0.00 -1.85 -3.43 119.26 118.88 1iy4 h ALA 108 Ca 0.00 -0.19 -0.61 0.00 0.00 0.00 0.00 54.91 54.11 1iy4 h ALA 108 Cb 0.84 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1iy4 h ALA 108 CO 0.12 0.25 -0.39 -1.58 0.00 0.00 0.00 179.25 177.66 1iy4 s TRP 109 N -4.37 3.55 0.26 0.00 0.51 -1.26 -4.99 118.94 112.64 1iy4 s TRP 109 Ca -0.03 0.52 0.19 0.00 -2.12 0.00 0.00 56.10 54.66 1iy4 s TRP 109 Cb 0.14 -1.96 0.83 0.00 -0.81 0.00 0.00 33.47 31.67 1iy4 s TRP 109 CO 0.66 0.57 1.81 0.28 -0.51 0.00 0.00 176.95 179.77 1iy4 h VAL 110 N 2.68 0.92 -0.03 4.03 2.07 -1.96 -2.82 116.25 121.13 1iy4 h VAL 110 Ca -0.48 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 65.75 1iy4 h VAL 110 Cb 1.18 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1iy4 h VAL 110 CO 0.69 0.32 0.03 0.00 0.02 0.00 0.00 177.57 178.64 1iy4 h ALA 111 N 1.67 1.70 -0.64 1.67 0.00 -1.95 -2.34 119.26 119.36 1iy4 h ALA 111 Ca -0.00 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1iy4 h ALA 111 Cb 0.74 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1iy4 h ALA 111 CO 0.04 -0.05 0.37 2.35 0.00 0.00 0.00 179.25 181.97 1iy4 h TRP 112 N 0.00 0.68 -0.01 0.00 -0.00 -1.82 0.49 115.95 115.30 1iy4 h TRP 112 Ca 0.01 0.02 -0.17 0.00 -0.00 0.00 0.00 58.89 58.76 1iy4 h TRP 112 Cb 0.08 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.16 29.01 1iy4 h TRP 112 CO 0.00 0.35 -0.76 0.00 -0.00 0.00 0.00 178.44 178.03 1iy4 h ARG 113 N 0.70 0.14 0.00 2.65 3.08 -1.62 0.11 114.38 119.44 1iy4 h ARG 113 Ca 0.28 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1iy4 h ARG 113 Cb 0.12 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1iy4 h ARG 113 CO -0.15 0.83 -0.25 -0.97 -1.07 0.00 0.00 179.97 178.36 1iy4 h ASN 114 N 0.09 0.00 0.00 7.04 -1.24 -1.26 -3.36 115.58 116.85 1iy4 h ASN 114 Ca -0.02 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1iy4 h ASN 114 Cb 1.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.39 1iy4 h ASN 114 CO 0.11 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.79 1iy4 n ARG 115 N -2.92 0.00 0.00 6.67 5.12 0.17 -4.90 116.66 120.80 1iy4 n ARG 115 Ca 0.03 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 1iy4 n ARG 115 Cb 0.53 -0.64 0.00 0.00 -1.16 0.00 0.00 32.46 31.19 1iy4 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iy4 n GLN 117 N -0.71 -5.14 -3.61 0.00 7.27 0.39 -2.08 117.38 113.49 1iy4 n GLN 117 Ca 0.00 0.57 -0.23 0.00 0.07 0.00 0.00 57.00 57.41 1iy4 n GLN 117 Cb 0.00 -5.37 0.04 0.00 2.41 0.00 0.00 30.24 27.33 1iy4 n GLN 117 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1iy4 n ASN 118 N -2.86 -3.47 -0.73 1.69 5.15 -1.26 -5.01 115.26 108.78 1iy4 n ASN 118 Ca -0.02 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 1iy4 n ASN 118 Cb 0.55 -4.05 0.00 0.00 -0.53 0.00 0.00 39.78 35.75 1iy4 n ASN 118 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1iy4 n ARG 119 N -4.05 2.78 -2.18 1.20 5.12 -0.88 -4.92 116.66 113.72 1iy4 n ARG 119 Ca -0.19 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.42 1iy4 n ARG 119 Cb 0.64 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.89 1iy4 n ARG 119 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1iy4 s ASP 120 N -1.00 5.48 -0.04 0.55 2.15 -1.26 -4.68 116.67 117.87 1iy4 s ASP 120 Ca 0.00 -1.27 0.16 0.00 0.43 0.00 0.00 52.55 51.87 1iy4 s ASP 120 Cb 0.00 -2.57 0.52 0.00 -0.30 0.00 0.00 42.92 40.56 1iy4 s ASP 120 CO 0.00 -2.51 1.43 1.33 -0.17 0.00 0.00 175.17 175.25 1iy4 n VAL 121 N 7.56 1.31 0.32 1.11 0.24 -1.26 -4.50 118.33 123.11 1iy4 n VAL 121 Ca 0.41 -1.13 0.21 0.00 -2.04 0.00 0.00 64.34 61.79 1iy4 n VAL 121 Cb 0.47 0.34 1.08 0.00 -1.47 0.00 0.00 33.84 34.26 1iy4 n VAL 121 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1iy4 h ARG 122 N 3.09 0.00 -0.29 7.34 0.11 -1.98 -2.32 114.38 120.33 1iy4 h ARG 122 Ca 0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 1iy4 h ARG 122 Cb 1.03 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.10 1iy4 h ARG 122 CO 0.07 0.00 -0.23 1.96 0.10 0.00 0.00 179.97 181.87 1iy4 h GLN 123 N 0.00 0.55 0.00 0.08 4.20 -1.97 -1.10 115.11 116.87 1iy4 h GLN 123 Ca 0.00 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 1iy4 h GLN 123 Cb 0.12 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1iy4 h GLN 123 CO 0.00 0.74 -0.19 1.88 -0.67 0.00 0.00 178.83 180.59 1iy4 h TYR 124 N 0.49 0.00 -0.17 2.96 0.05 -1.77 -2.83 116.97 115.70 1iy4 h TYR 124 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1iy4 h TYR 124 Cb 0.66 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.40 1iy4 h TYR 124 CO 0.02 0.19 0.00 1.33 -1.05 0.00 0.00 178.16 178.66 1iy4 n VAL 125 N -3.69 2.04 -2.65 -2.88 0.24 -1.02 -4.71 118.33 105.66 1iy4 n VAL 125 Ca -0.01 -1.94 -0.42 0.00 -2.04 0.00 0.00 64.34 59.93 1iy4 n VAL 125 Cb 0.31 -0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 32.47 1iy4 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1iy4 s GLN 126 N -2.69 3.51 -0.84 7.34 -0.21 -0.45 -3.89 119.66 122.43 1iy4 s GLN 126 Ca 0.36 -1.11 -0.05 0.00 0.02 0.00 0.00 55.36 54.58 1iy4 s GLN 126 Cb 0.30 -5.04 0.01 0.00 1.00 0.00 0.00 33.01 29.28 1iy4 s GLN 126 CO 0.07 -2.09 0.73 0.41 -2.12 0.00 0.00 175.29 172.29 1iy4 n GLY 127 N 6.30 0.01 0.09 3.09 0.00 -1.26 -4.96 105.19 108.46 1iy4 n GLY 127 Ca 0.25 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 1iy4 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iy4 n GLY 129 N 1.48 1.58 0.94 0.00 0.00 -1.26 -4.71 105.19 103.20 1iy4 n GLY 129 Ca -0.23 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.29 1iy4 n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70