#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jiy s VAL 2 N 0.00 4.64 0.57 3.15 1.01 -1.26 -1.34 120.40 127.17 1jiy s VAL 2 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 1jiy s VAL 2 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1jiy s VAL 2 CO 0.00 -0.10 1.03 -0.36 0.00 0.00 0.00 175.10 175.67 1jiy s PHE 3 N 1.59 3.23 0.40 5.22 0.40 0.33 -4.99 117.98 124.16 1jiy s PHE 3 Ca 0.03 1.47 -0.04 0.00 -0.60 0.00 0.00 56.93 57.80 1jiy s PHE 3 Cb -0.18 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.42 1jiy s PHE 3 CO 0.07 -0.79 0.66 0.20 0.70 0.00 0.00 175.22 176.06 1jiy s GLY 4 N -3.06 1.54 0.10 4.36 0.00 -1.26 -4.85 107.32 104.16 1jiy s GLY 4 Ca 0.61 -0.63 -0.33 0.00 0.00 0.00 0.00 44.72 44.38 1jiy s GLY 4 CO 0.37 -0.50 1.59 -0.09 0.00 0.00 0.00 173.10 174.46 1jiy h ARG 5 N 0.73 -0.74 -0.19 2.90 2.43 -1.97 -1.35 114.38 116.19 1jiy h ARG 5 Ca -0.48 0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.64 1jiy h ARG 5 Cb 1.21 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1jiy h ARG 5 CO 0.62 -0.50 -0.32 0.00 -1.51 0.00 0.00 179.97 178.27 1jiy h GLU 7 N 0.33 0.97 -0.34 0.00 4.81 -1.91 -1.76 114.58 116.68 1jiy h GLU 7 Ca 0.04 -0.11 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 1jiy h GLU 7 Cb 0.73 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1jiy h GLU 7 CO 0.06 0.73 -0.44 1.25 -0.73 0.00 0.00 179.01 179.87 1jiy h LEU 8 N 0.95 0.96 -1.00 1.64 5.85 -1.11 -2.33 115.31 120.27 1jiy h LEU 8 Ca 0.24 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1jiy h LEU 8 Cb 0.04 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 1jiy h LEU 8 CO -0.04 1.25 0.66 0.00 -0.34 0.00 0.00 178.44 179.97 1jiy h ALA 9 N 0.78 1.32 -0.42 1.25 0.00 -1.15 0.84 119.26 121.88 1jiy h ALA 9 Ca 0.04 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1jiy h ALA 9 Cb 1.03 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1jiy h ALA 9 CO 0.10 0.57 -0.27 0.00 0.00 0.00 0.00 179.25 179.66 1jiy h ALA 10 N 1.40 0.60 -0.49 0.00 0.00 -1.23 -1.18 119.26 118.36 1jiy h ALA 10 Ca 0.39 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1jiy h ALA 10 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1jiy h ALA 10 CO -0.12 0.62 0.07 0.00 0.00 0.00 0.00 179.25 179.82 1jiy h ALA 11 N 0.81 0.66 -0.50 0.00 0.00 -0.82 -1.03 119.26 118.38 1jiy h ALA 11 Ca 0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1jiy h ALA 11 Cb 0.85 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1jiy h ALA 11 CO 0.07 0.40 -0.08 0.52 0.00 0.00 0.00 179.25 180.16 1jiy h MET 12 N 0.70 0.95 -0.63 0.00 2.86 -0.81 -2.27 114.93 115.72 1jiy h MET 12 Ca 0.15 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1jiy h MET 12 Cb 0.41 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1jiy h MET 12 CO 0.01 1.00 0.42 -0.22 1.06 0.00 0.00 176.91 179.19 1jiy h LYS 13 N 0.81 0.83 -0.00 1.72 3.64 -1.03 -1.83 116.57 120.70 1jiy h LYS 13 Ca 0.13 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1jiy h LYS 13 Cb 0.63 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1jiy h LYS 13 CO 0.04 0.55 -0.24 -0.09 -2.27 0.00 0.00 179.45 177.45 1jiy h ARG 14 N 0.86 0.00 -0.23 1.90 1.12 -1.01 -2.02 114.38 115.00 1jiy h ARG 14 Ca 0.23 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.10 1jiy h ARG 14 Cb -0.10 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.86 1jiy h ARG 14 CO -0.05 0.24 0.00 0.72 -3.11 0.00 0.00 179.97 177.77 1jiy n HIS 15 N -4.26 0.31 -1.43 2.20 8.25 -0.76 -4.92 115.22 114.60 1jiy n HIS 15 Ca -0.02 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1jiy n HIS 15 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1jiy n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jiy n GLY 16 N 1.00 0.43 0.15 -1.41 0.00 -0.76 -4.98 105.19 99.62 1jiy n GLY 16 Ca 0.12 -0.95 0.11 0.00 0.00 0.00 0.00 46.02 45.30 1jiy n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jiy h LEU 17 N 0.00 0.00 -9.17 0.99 3.38 -1.54 -3.40 115.31 105.57 1jiy h LEU 17 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1jiy h LEU 17 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1jiy h LEU 17 CO 0.00 0.05 1.23 -0.62 0.09 0.00 0.00 178.44 179.19 1jiy s ASP 18 N -5.72 6.27 -0.38 -0.43 2.15 -1.26 -1.66 116.67 115.65 1jiy s ASP 18 Ca 0.02 2.12 0.00 0.00 0.43 0.00 0.00 52.55 55.12 1jiy s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1jiy s ASP 18 CO 0.75 -1.27 0.00 0.59 -0.17 0.00 0.00 175.17 175.07 1jiy n ASN 19 N 8.56 -4.48 -4.67 -0.34 3.02 0.14 -4.87 115.26 112.62 1jiy n ASN 19 Ca 0.21 0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.43 1jiy n ASN 19 Cb 0.43 -2.29 -0.03 0.00 -0.61 0.00 0.00 39.78 37.28 1jiy n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1jiy s TYR 20 N -1.78 2.02 -1.89 3.10 5.04 -0.66 -1.30 117.35 121.87 1jiy s TYR 20 Ca 0.00 0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 1jiy s TYR 20 Cb 0.00 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.30 1jiy s TYR 20 CO 0.00 -4.23 0.00 -2.13 -1.34 0.00 0.00 175.55 167.85 1jiy n ARG 21 N 6.56 -1.61 -0.64 4.97 3.00 -1.26 -2.18 116.66 125.50 1jiy n ARG 21 Ca 0.17 1.06 0.00 0.00 -0.00 0.00 0.00 57.85 59.09 1jiy n ARG 21 Cb 0.41 -5.66 0.00 0.00 0.00 0.00 0.00 32.46 27.22 1jiy n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jiy n GLY 22 N -0.87 0.80 3.52 5.14 0.00 -0.42 -5.04 105.19 108.31 1jiy n GLY 22 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1jiy n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jiy s TYR 23 N -3.06 3.23 0.75 1.61 2.02 -0.93 -4.90 117.35 116.08 1jiy s TYR 23 Ca 0.00 -0.24 -0.15 0.00 -0.37 0.00 0.00 57.07 56.32 1jiy s TYR 23 Cb 0.00 -2.50 0.05 0.00 -0.40 0.00 0.00 41.96 39.11 1jiy s TYR 23 CO 0.00 -0.39 1.22 -1.54 -1.57 0.00 0.00 175.55 173.27 1jiy s SER 24 N 1.72 3.97 0.32 2.29 1.04 -1.26 -0.68 113.70 121.09 1jiy s SER 24 Ca 0.06 2.40 0.09 0.00 0.48 0.00 0.00 55.95 58.99 1jiy s SER 24 Cb -0.17 -2.59 0.87 0.00 0.10 0.00 0.00 66.02 64.22 1jiy s SER 24 CO 0.11 -2.42 1.72 0.25 0.98 0.00 0.00 173.24 173.88 1jiy h LEU 25 N -0.46 0.61 -1.66 2.42 5.85 -1.89 -0.69 115.31 119.50 1jiy h LEU 25 Ca -0.47 0.14 0.14 0.00 0.84 0.00 0.00 57.88 58.52 1jiy h LEU 25 Cb 1.30 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 1jiy h LEU 25 CO 0.49 0.07 0.46 1.23 -0.34 0.00 0.00 178.44 180.35 1jiy h GLY 26 N 0.54 0.56 0.95 3.75 0.00 -1.90 -1.91 103.07 105.06 1jiy h GLY 26 Ca 0.64 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 1jiy h GLY 26 CO -0.49 0.06 0.09 3.43 0.00 0.00 0.00 176.54 179.63 1jiy h ASN 27 N 0.35 0.68 -0.54 0.19 2.35 -1.35 -1.60 115.58 115.66 1jiy h ASN 27 Ca 0.33 -0.25 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 1jiy h ASN 27 Cb 0.80 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1jiy h ASN 27 CO -0.09 0.75 -0.11 -0.50 -1.65 0.00 0.00 177.43 175.82 1jiy h TRP 28 N 0.58 1.16 -0.40 1.19 4.06 -1.44 -1.27 115.95 119.83 1jiy h TRP 28 Ca 0.13 -0.24 -0.13 0.00 2.06 0.00 0.00 58.89 60.71 1jiy h TRP 28 Cb 0.35 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.21 1jiy h TRP 28 CO 0.02 1.07 -0.26 0.28 -3.56 0.00 0.00 178.44 175.99 1jiy h VAL 29 N 0.92 1.27 -0.62 1.49 2.07 -1.43 -1.68 116.25 118.28 1jiy h VAL 29 Ca 0.14 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.19 1jiy h VAL 29 Cb 0.69 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1jiy h VAL 29 CO 0.05 0.47 0.13 0.00 0.02 0.00 0.00 177.57 178.24 1jiy h ALA 31 N 1.04 0.55 -0.79 0.00 0.00 -1.03 -2.54 119.26 116.49 1jiy h ALA 31 Ca 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jiy h ALA 31 Cb 0.39 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1jiy h ALA 31 CO 0.01 0.21 0.40 0.00 0.00 0.00 0.00 179.25 179.86 1jiy h ALA 32 N 0.97 1.02 -0.09 0.00 0.00 -1.17 0.43 119.26 120.42 1jiy h ALA 32 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jiy h ALA 32 Cb 0.27 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1jiy h ALA 32 CO -0.00 0.56 -0.06 -0.22 0.00 0.00 0.00 179.25 179.52 1jiy h LYS 33 N 1.11 -0.07 0.00 0.00 1.63 -1.00 -1.37 116.57 116.88 1jiy h LYS 33 Ca 0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1jiy h LYS 33 Cb 0.08 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1jiy h LYS 33 CO -0.04 -0.05 -0.42 0.74 -3.45 0.00 0.00 179.45 176.23 1jiy h PHE 34 N -0.07 0.00 0.19 1.91 0.04 -1.32 0.71 116.94 118.40 1jiy h PHE 34 Ca 0.06 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.48 1jiy h PHE 34 Cb 0.16 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.32 1jiy h PHE 34 CO -0.18 0.00 -1.71 0.93 -0.60 0.00 0.00 178.31 176.75 1jiy h GLU 35 N 0.00 0.41 0.00 1.51 4.39 -0.78 -3.43 114.58 116.68 1jiy h GLU 35 Ca 0.00 -0.70 0.00 0.00 0.34 0.00 0.00 59.36 59.00 1jiy h GLU 35 Cb 0.79 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1jiy h GLU 35 CO 0.00 1.33 0.00 -1.13 -1.16 0.00 0.00 179.01 178.05 1jiy n SER 36 N -3.63 0.16 -3.52 1.42 3.41 -0.55 -4.84 113.62 106.08 1jiy n SER 36 Ca -0.24 -0.95 -0.24 0.00 -0.26 0.00 0.00 58.87 57.17 1jiy n SER 36 Cb 1.07 0.01 0.07 0.00 -0.26 0.00 0.00 64.21 65.10 1jiy n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1jiy n ASN 37 N -0.01 -6.21 -1.22 4.04 5.15 0.24 -2.13 115.26 115.13 1jiy n ASN 37 Ca 0.00 -0.51 -0.16 0.00 -0.60 0.00 0.00 54.58 53.31 1jiy n ASN 37 Cb 0.20 -4.91 -0.07 0.00 -0.53 0.00 0.00 39.78 34.47 1jiy n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1jiy n PHE 38 N -4.89 0.00 -3.56 1.20 3.72 -1.20 -4.84 117.46 107.89 1jiy n PHE 38 Ca -0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.99 1jiy n PHE 38 Cb 0.57 -2.82 -0.11 0.00 -0.94 0.00 0.00 39.48 36.18 1jiy n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1jiy s ASN 39 N -2.80 5.96 0.46 4.37 3.84 -0.90 -0.51 114.94 125.36 1jiy s ASN 39 Ca 0.00 -0.36 0.31 0.00 0.21 0.00 0.00 52.86 53.02 1jiy s ASN 39 Cb 0.00 -2.11 1.35 0.00 -0.55 0.00 0.00 41.25 39.94 1jiy s ASN 39 CO 0.00 -0.19 1.92 0.71 -2.79 0.00 0.00 177.10 176.75 1jiy h THR 40 N 5.50 0.00 -0.59 -5.21 1.35 -1.53 -2.96 112.91 109.46 1jiy h THR 40 Ca -0.32 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1jiy h THR 40 Cb 1.16 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1jiy h THR 40 CO 0.61 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 1jiy n GLN 41 N -2.76 2.49 -2.25 4.72 6.02 -1.26 -4.00 117.38 120.33 1jiy n GLN 41 Ca 0.01 -2.18 -0.41 0.00 -0.01 0.00 0.00 57.00 54.40 1jiy n GLN 41 Cb 0.24 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 1jiy n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jiy s ALA 42 N -1.27 3.50 0.02 -1.58 0.00 -1.12 -4.84 121.76 116.47 1jiy s ALA 42 Ca 0.40 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.46 1jiy s ALA 42 Cb 0.22 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 1jiy s ALA 42 CO 0.26 -0.50 -0.05 0.95 0.00 0.00 0.00 175.76 176.43 1jiy s THR 43 N -0.16 0.28 -0.15 0.00 -4.23 -1.26 -1.09 115.64 109.02 1jiy s THR 43 Ca 0.54 -0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 60.21 1jiy s THR 43 Cb -0.36 -0.36 0.06 0.00 1.34 0.00 0.00 72.50 73.19 1jiy s THR 43 CO 0.40 -0.33 0.35 0.20 -0.54 0.00 0.00 174.62 174.70 1jiy s ASN 44 N -1.16 -0.28 0.13 3.99 0.01 -0.94 -4.97 114.94 111.71 1jiy s ASN 44 Ca -0.10 0.78 -0.21 0.00 -0.71 0.00 0.00 52.86 52.62 1jiy s ASN 44 Cb -0.08 0.78 -0.07 0.00 0.41 0.00 0.00 41.25 42.29 1jiy s ASN 44 CO -0.00 -0.20 0.66 -0.60 -1.51 0.00 0.00 177.10 175.45 1jiy s ARG 45 N 1.73 4.33 0.27 -0.60 6.06 -1.26 -0.72 118.95 128.75 1jiy s ARG 45 Ca -0.07 0.89 0.08 0.00 -2.50 0.00 0.00 55.73 54.13 1jiy s ARG 45 Cb -0.10 -3.18 -0.04 0.00 0.06 0.00 0.00 34.95 31.69 1jiy s ARG 45 CO -0.11 0.57 0.14 -0.80 -2.50 0.00 0.00 175.30 172.60 1jiy s ASN 46 N -1.23 5.14 0.41 -2.12 -0.87 0.32 -4.98 114.94 111.60 1jiy s ASN 46 Ca 0.34 -0.43 0.12 0.00 -1.57 0.00 0.00 52.86 51.32 1jiy s ASN 46 Cb -0.20 -1.15 0.96 0.00 -0.02 0.00 0.00 41.25 40.84 1jiy s ASN 46 CO 0.22 -0.07 1.95 0.71 -2.57 0.00 0.00 177.10 177.34 1jiy h THR 47 N 1.60 0.88 0.00 1.60 1.35 -1.98 -1.14 112.91 115.22 1jiy h THR 47 Ca -0.47 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1jiy h THR 47 Cb 1.24 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1jiy h THR 47 CO 0.61 0.09 0.00 -0.90 -0.25 0.00 0.00 175.52 175.07 1jiy n ASP 48 N -4.48 0.00 0.00 5.36 5.75 -1.26 -4.86 116.55 117.06 1jiy n ASP 48 Ca 0.12 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.68 1jiy n ASP 48 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1jiy n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jiy n GLY 49 N 0.59 0.94 3.91 6.12 0.00 -0.43 -5.03 105.19 111.30 1jiy n GLY 49 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1jiy n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jiy s SER 50 N -2.55 5.08 0.03 1.61 1.04 -1.26 -4.73 113.70 112.92 1jiy s SER 50 Ca 0.00 0.69 0.03 0.00 0.48 0.00 0.00 55.95 57.14 1jiy s SER 50 Cb 0.00 -1.43 -0.02 0.00 0.10 0.00 0.00 66.02 64.67 1jiy s SER 50 CO 0.00 -1.46 -0.09 -0.89 0.98 0.00 0.00 173.24 171.78 1jiy s THR 51 N -3.25 0.69 -0.15 2.02 2.01 -1.26 -0.52 115.64 115.18 1jiy s THR 51 Ca 0.58 -0.83 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 1jiy s THR 51 Cb -0.11 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1jiy s THR 51 CO 0.47 -0.13 0.13 -1.81 -0.69 0.00 0.00 174.62 172.59 1jiy s ASP 52 N -1.06 6.25 -0.01 3.53 1.01 0.10 -1.19 116.67 125.30 1jiy s ASP 52 Ca -0.03 0.35 0.06 0.00 0.71 0.00 0.00 52.55 53.64 1jiy s ASP 52 Cb -0.07 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.79 1jiy s ASP 52 CO 0.01 0.32 -0.19 -0.31 0.21 0.00 0.00 175.17 175.20 1jiy s TYR 53 N -0.47 1.71 0.01 4.23 1.51 -0.18 -2.20 117.35 121.96 1jiy s TYR 53 Ca 0.12 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1jiy s TYR 53 Cb -0.12 -1.09 0.00 0.00 -0.11 0.00 0.00 41.96 40.64 1jiy s TYR 53 CO 0.02 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.85 1jiy n GLY 54 N 2.55 -1.90 0.37 0.71 0.00 -0.25 -1.44 105.19 105.24 1jiy n GLY 54 Ca -0.15 -1.35 0.17 0.00 0.00 0.00 0.00 46.02 44.69 1jiy n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jiy h ILE 55 N -0.04 0.62 -0.41 -0.61 6.09 -1.71 -0.96 117.51 120.50 1jiy h ILE 55 Ca 0.00 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 1jiy h ILE 55 Cb 0.04 -0.01 0.00 0.00 0.47 0.00 0.00 36.82 37.32 1jiy h ILE 55 CO 0.00 0.11 0.00 0.18 -3.07 0.00 0.00 178.15 175.37 1jiy n LEU 56 N -4.71 3.30 -3.84 2.19 4.77 -1.26 -4.01 117.00 113.44 1jiy n LEU 56 Ca 0.24 -2.16 -0.37 0.00 -0.03 0.00 0.00 56.01 53.69 1jiy n LEU 56 Cb 0.71 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1jiy n LEU 56 CO 0.23 0.76 -0.11 0.00 -1.33 0.00 0.00 177.39 176.94 1jiy n GLN 57 N 0.57 -0.81 -2.59 3.23 1.13 -0.36 -4.90 117.38 113.65 1jiy n GLN 57 Ca 0.15 0.33 -0.42 0.00 -1.94 0.00 0.00 57.00 55.12 1jiy n GLN 57 Cb 0.54 -3.37 -0.03 0.00 0.11 0.00 0.00 30.24 27.49 1jiy n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jiy s ILE 58 N -3.46 4.54 0.24 5.09 1.01 -0.52 -4.38 121.20 123.72 1jiy s ILE 58 Ca 0.45 1.82 -0.30 0.00 0.00 0.00 0.00 60.65 62.63 1jiy s ILE 58 Cb -0.20 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.01 1jiy s ILE 58 CO 0.91 0.11 1.00 0.21 0.00 0.00 0.00 174.94 177.18 1jiy s ASN 59 N 1.08 7.49 0.00 3.58 3.84 -1.26 -1.01 114.94 128.66 1jiy s ASN 59 Ca 0.54 2.05 0.24 0.00 0.21 0.00 0.00 52.86 55.90 1jiy s ASN 59 Cb -0.24 -2.61 1.04 0.00 -0.55 0.00 0.00 41.25 38.89 1jiy s ASN 59 CO 0.27 0.02 1.78 -1.54 -2.79 0.00 0.00 177.10 174.84 1jiy n SER 60 N 1.57 0.01 0.10 -4.21 3.41 -0.33 -2.14 113.62 112.03 1jiy n SER 60 Ca -0.01 0.50 -0.02 0.00 -0.26 0.00 0.00 58.87 59.08 1jiy n SER 60 Cb 0.46 -0.50 0.21 0.00 -0.26 0.00 0.00 64.21 64.12 1jiy n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1jiy h ARG 61 N 0.00 0.21 0.00 4.33 9.65 -1.83 -3.40 114.38 123.33 1jiy h ARG 61 Ca 0.00 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1jiy h ARG 61 Cb 0.42 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1jiy h ARG 61 CO 0.00 0.63 -0.61 0.91 2.80 0.00 0.00 179.97 183.70 1jiy n TRP 62 N -3.99 0.00 -0.08 2.20 7.02 -1.22 -0.42 117.44 120.94 1jiy n TRP 62 Ca -0.02 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.40 1jiy n TRP 62 Cb 0.50 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 29.24 1jiy n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1jiy n TRP 63 N -1.35 0.00 -4.04 -5.99 7.02 -0.91 -0.89 117.44 111.27 1jiy n TRP 63 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1jiy n TRP 63 Cb 0.27 -0.87 -0.09 0.00 -2.42 0.00 0.00 31.31 28.20 1jiy n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jiy s ASN 65 N -2.96 5.42 0.00 0.00 2.47 -0.68 -4.55 114.94 114.65 1jiy s ASN 65 Ca 0.14 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.39 1jiy s ASN 65 Cb 0.06 -1.94 0.01 0.00 -1.45 0.00 0.00 41.25 37.93 1jiy s ASN 65 CO -0.05 0.09 0.92 -0.90 -3.72 0.00 0.00 177.10 173.44 1jiy n ASP 66 N 4.07 1.84 0.00 -4.21 5.68 -1.26 -1.27 116.55 121.40 1jiy n ASP 66 Ca -0.16 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 1jiy n ASP 66 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1jiy n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jiy n GLY 67 N -0.39 0.34 0.61 6.12 0.00 -1.26 -4.79 105.19 105.82 1jiy n GLY 67 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1jiy n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jiy n ARG 68 N -1.47 0.27 -3.91 1.61 1.85 -1.26 -4.94 116.66 108.80 1jiy n ARG 68 Ca 0.00 -1.52 -0.29 0.00 -1.00 0.00 0.00 57.85 55.04 1jiy n ARG 68 Cb 0.12 -0.61 -0.13 0.00 -1.05 0.00 0.00 32.46 30.78 1jiy n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1jiy s THR 69 N -0.58 2.62 0.16 8.89 2.01 -1.26 -4.90 115.64 122.58 1jiy s THR 69 Ca 0.13 -3.65 -0.33 0.00 0.31 0.00 0.00 61.69 58.14 1jiy s THR 69 Cb 0.13 -2.78 -0.16 0.00 0.01 0.00 0.00 72.50 69.69 1jiy s THR 69 CO -0.03 -0.89 1.10 -2.65 -0.69 0.00 0.00 174.62 171.46 1jiy n PRO 70 N 2.68 0.93 -3.79 4.92 -0.02 -1.26 -2.45 135.00 136.01 1jiy n PRO 70 Ca 0.11 0.33 -0.27 0.00 -2.02 0.00 0.00 63.50 61.65 1jiy n PRO 70 Cb 0.33 -1.79 0.05 0.00 -0.02 0.00 0.00 33.50 32.07 1jiy n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jiy n GLY 71 N 1.95 -0.50 3.90 -1.23 0.00 -1.26 -4.99 105.19 103.07 1jiy n GLY 71 Ca 0.16 0.21 -0.21 0.00 0.00 0.00 0.00 46.02 46.18 1jiy n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jiy s SER 72 N -3.41 5.76 0.20 1.61 1.04 -1.03 -5.07 113.70 112.81 1jiy s SER 72 Ca 0.58 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.83 1jiy s SER 72 Cb -0.28 -1.41 -0.03 0.00 0.10 0.00 0.00 66.02 64.40 1jiy s SER 72 CO 0.80 -0.18 0.35 -0.13 0.98 0.00 0.00 173.24 175.05 1jiy s ARG 73 N -3.97 3.46 -0.48 4.02 1.81 0.44 -4.98 118.95 119.26 1jiy s ARG 73 Ca 0.37 -0.58 0.08 0.00 -1.72 0.00 0.00 55.73 53.88 1jiy s ARG 73 Cb -0.08 -2.90 0.35 0.00 -0.45 0.00 0.00 34.95 31.88 1jiy s ARG 73 CO 0.27 0.44 0.87 -1.71 -0.68 0.00 0.00 175.30 174.50 1jiy n ASN 74 N -0.93 2.97 0.15 0.23 5.15 -1.22 -3.58 115.26 118.04 1jiy n ASN 74 Ca -0.07 -3.39 0.17 0.00 -0.60 0.00 0.00 54.58 50.69 1jiy n ASN 74 Cb 0.55 -0.58 0.77 0.00 -0.53 0.00 0.00 39.78 39.99 1jiy n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1jiy h LEU 75 N 2.97 0.00 -0.66 1.20 3.38 -1.07 0.17 115.31 121.30 1jiy h LEU 75 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jiy h LEU 75 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1jiy h LEU 75 CO 0.68 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 178.97 1jiy n ASN 77 N -0.41 -1.54 -3.71 0.00 3.02 0.05 -5.00 115.26 107.66 1jiy n ASN 77 Ca 0.13 -0.78 -0.13 0.00 -0.03 0.00 0.00 54.58 53.77 1jiy n ASN 77 Cb 0.37 -4.30 -0.07 0.00 -0.61 0.00 0.00 39.78 35.16 1jiy n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1jiy s ILE 78 N -3.59 0.06 0.23 2.41 -4.36 -1.26 -5.08 121.20 109.61 1jiy s ILE 78 Ca 0.02 -0.50 -0.30 0.00 -0.26 0.00 0.00 60.65 59.62 1jiy s ILE 78 Cb -0.00 -0.86 -0.09 0.00 1.25 0.00 0.00 42.46 42.76 1jiy s ILE 78 CO 0.79 -0.27 1.07 -2.16 0.24 0.00 0.00 174.94 174.61 1jiy s PRO 79 N -2.09 4.66 0.57 0.37 0.04 -1.26 -1.68 135.00 135.61 1jiy s PRO 79 Ca -0.08 1.71 0.28 0.00 0.04 0.00 0.00 61.00 62.95 1jiy s PRO 79 Cb -0.02 -3.24 1.52 0.00 0.04 0.00 0.00 34.50 32.80 1jiy s PRO 79 CO 0.00 0.22 1.98 0.00 0.04 0.00 0.00 177.00 179.24 1jiy h SER 81 N 0.00 0.00 0.40 0.00 4.64 -1.90 -1.11 113.55 115.57 1jiy h SER 81 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1jiy h SER 81 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1jiy h SER 81 CO -0.00 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 1jiy h ALA 82 N 1.91 1.00 -0.02 5.18 0.00 -1.39 -1.73 119.26 124.21 1jiy h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jiy h ALA 82 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jiy h ALA 82 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1jiy n LEU 83 N -3.07 0.76 -0.76 0.00 4.77 -0.42 -3.46 117.00 114.82 1jiy n LEU 83 Ca -0.02 -0.26 0.09 0.00 -0.03 0.00 0.00 56.01 55.79 1jiy n LEU 83 Cb 0.16 -0.01 0.10 0.00 -2.33 0.00 0.00 43.42 41.34 1jiy n LEU 83 CO 0.23 0.13 0.56 0.18 -1.33 0.00 0.00 177.39 177.16 1jiy n LEU 84 N -0.39 2.64 -4.74 2.23 4.77 -0.65 -3.91 117.00 116.95 1jiy n LEU 84 Ca 0.20 -1.14 -0.34 0.00 -0.03 0.00 0.00 56.01 54.71 1jiy n LEU 84 Cb 0.23 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1jiy n LEU 84 CO 0.16 0.50 0.77 -0.55 -1.33 0.00 0.00 177.39 176.94 1jiy s SER 85 N -1.43 4.65 0.39 -1.43 0.15 -1.22 -4.27 113.70 110.54 1jiy s SER 85 Ca 0.23 2.19 0.28 0.00 0.70 0.00 0.00 55.95 59.35 1jiy s SER 85 Cb 0.16 -2.57 1.13 0.00 -1.71 0.00 0.00 66.02 63.03 1jiy s SER 85 CO 0.23 -1.95 1.83 0.77 1.20 0.00 0.00 173.24 175.32 1jiy h SER 86 N -0.11 0.00 -3.59 5.45 4.64 -1.93 -3.39 113.55 114.62 1jiy h SER 86 Ca -0.47 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.20 1jiy h SER 86 Cb 1.27 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.21 1jiy h SER 86 CO 0.52 0.00 0.04 -0.62 -0.87 0.00 0.00 176.83 175.90 1jiy s ASP 87 N -4.96 6.34 0.00 4.97 -1.08 -1.26 -4.95 116.67 115.73 1jiy s ASP 87 Ca 0.03 -0.11 0.27 0.00 -0.52 0.00 0.00 52.55 52.22 1jiy s ASP 87 Cb 0.09 -2.29 1.60 0.00 -1.46 0.00 0.00 42.92 40.86 1jiy s ASP 87 CO 0.48 -0.60 1.98 2.30 0.52 0.00 0.00 175.17 179.85 1jiy n ILE 88 N 5.58 0.00 -0.20 4.11 -5.35 -1.26 -4.29 119.36 117.95 1jiy n ILE 88 Ca -0.03 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.42 1jiy n ILE 88 Cb 0.48 -0.52 0.03 0.00 -1.74 0.00 0.00 39.64 37.90 1jiy n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1jiy h THR 89 N 0.00 0.26 -0.50 7.28 2.02 -1.94 0.01 112.91 120.05 1jiy h THR 89 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1jiy h THR 89 Cb 0.00 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 1jiy h THR 89 CO 0.00 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.21 1jiy h ALA 90 N 1.28 0.64 -0.25 6.16 0.00 -1.86 -0.89 119.26 124.34 1jiy h ALA 90 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jiy h ALA 90 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1jiy h ALA 90 CO -0.66 0.04 0.14 0.77 0.00 0.00 0.00 179.25 179.54 1jiy h SER 91 N 0.64 0.30 -0.20 0.00 0.02 -1.59 -1.92 113.55 110.80 1jiy h SER 91 Ca 0.19 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1jiy h SER 91 Cb -0.03 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1jiy h SER 91 CO -0.07 0.29 0.12 0.58 -1.14 0.00 0.00 176.83 176.61 1jiy h VAL 92 N 0.30 1.09 -0.48 2.27 2.07 -0.77 0.43 116.25 121.15 1jiy h VAL 92 Ca 0.09 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1jiy h VAL 92 Cb 0.05 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1jiy h VAL 92 CO -0.02 0.08 0.19 0.78 0.02 0.00 0.00 177.57 178.63 1jiy h ASN 93 N 0.23 0.63 0.14 0.57 2.35 -1.07 -1.43 115.58 117.00 1jiy h ASN 93 Ca 0.07 -0.07 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 1jiy h ASN 93 Cb 0.03 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1jiy h ASN 93 CO -0.01 0.57 -0.84 0.00 -1.65 0.00 0.00 177.43 175.50 1jiy h ALA 95 N 0.72 1.43 -0.22 0.00 0.00 -0.42 -1.01 119.26 119.75 1jiy h ALA 95 Ca -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1jiy h ALA 95 Cb 1.45 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1jiy h ALA 95 CO 0.15 0.47 -0.01 0.87 0.00 0.00 0.00 179.25 180.73 1jiy h LYS 96 N 0.84 0.33 -0.02 0.00 1.57 -1.22 -0.26 116.57 117.80 1jiy h LYS 96 Ca 0.21 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.70 1jiy h LYS 96 Cb 0.04 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.31 1jiy h LYS 96 CO -0.03 0.37 -0.96 0.87 -0.57 0.00 0.00 179.45 179.12 1jiy h LYS 97 N 0.32 0.56 -0.03 3.15 1.57 -1.20 -3.10 116.57 117.84 1jiy h LYS 97 Ca 0.07 -0.59 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1jiy h LYS 97 Cb 0.23 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1jiy h LYS 97 CO 0.01 1.20 0.01 0.82 -0.57 0.00 0.00 179.45 180.92 1jiy h ILE 98 N 0.33 1.20 0.00 1.86 2.04 -0.66 -2.89 117.51 119.39 1jiy h ILE 98 Ca -0.10 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1jiy h ILE 98 Cb 1.60 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1jiy h ILE 98 CO 0.18 0.16 0.00 1.62 0.00 0.00 0.00 178.15 180.11 1jiy h VAL 99 N -0.19 0.00 -0.02 1.67 3.04 -1.16 -0.93 116.25 118.66 1jiy h VAL 99 Ca 0.01 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1jiy h VAL 99 Cb 0.25 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1jiy h VAL 99 CO 0.00 0.00 -0.16 -1.20 -1.01 0.00 0.00 177.57 175.20 1jiy n SER 100 N -2.40 1.93 0.24 3.17 7.64 -1.13 -3.84 113.62 119.23 1jiy n SER 100 Ca 0.01 -1.51 0.07 0.00 1.01 0.00 0.00 58.87 58.45 1jiy n SER 100 Cb 0.19 0.13 0.57 0.00 -1.01 0.00 0.00 64.21 64.09 1jiy n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1jiy h ASP 101 N 2.77 0.00 0.00 6.43 3.58 -0.96 -3.47 116.42 124.77 1jiy h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1jiy h ASP 101 Cb 0.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1jiy h ASP 101 CO 0.00 0.11 0.00 0.61 -2.88 0.00 0.00 179.24 177.08 1jiy n GLY 102 N -1.18 4.14 0.81 -0.78 0.00 -1.26 -4.96 105.19 101.95 1jiy n GLY 102 Ca -0.03 -0.64 0.09 0.00 0.00 0.00 0.00 46.02 45.44 1jiy n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jiy n ASN 103 N 0.00 2.37 0.00 1.61 5.03 -1.26 -5.04 115.26 117.97 1jiy n ASN 103 Ca 0.00 -1.90 0.00 0.00 0.87 0.00 0.00 54.58 53.55 1jiy n ASN 103 Cb 0.00 -0.23 0.00 0.00 -1.02 0.00 0.00 39.78 38.53 1jiy n ASN 103 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jiy n GLY 104 N 1.25 1.88 0.00 7.41 0.00 -1.25 -2.28 105.19 112.20 1jiy n GLY 104 Ca 0.16 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.79 1jiy n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jiy n MET 105 N 6.38 0.59 0.07 1.61 2.81 -1.26 -2.93 117.12 124.39 1jiy n MET 105 Ca 0.00 0.03 0.08 0.00 -1.81 0.00 0.00 57.70 55.99 1jiy n MET 105 Cb 0.00 -1.50 0.35 0.00 -0.71 0.00 0.00 33.22 31.36 1jiy n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1jiy n ASN 106 N -1.10 0.30 0.26 7.83 3.02 -0.96 -1.41 115.26 123.20 1jiy n ASN 106 Ca 0.15 0.60 0.11 0.00 -0.03 0.00 0.00 54.58 55.41 1jiy n ASN 106 Cb 0.12 -0.65 0.71 0.00 -0.61 0.00 0.00 39.78 39.34 1jiy n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jiy h ALA 107 N 2.23 1.50 -2.43 5.41 0.00 -1.71 -3.38 119.26 120.87 1jiy h ALA 107 Ca 0.00 -0.09 -0.67 0.00 0.00 0.00 0.00 54.91 54.15 1jiy h ALA 107 Cb 0.18 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.79 1jiy h ALA 107 CO 0.00 0.13 -0.14 -1.58 0.00 0.00 0.00 179.25 177.66 1jiy s TRP 108 N -4.47 3.17 0.24 0.00 0.51 -0.50 -4.96 118.94 112.92 1jiy s TRP 108 Ca -0.04 -0.06 -0.07 0.00 -2.12 0.00 0.00 56.10 53.81 1jiy s TRP 108 Cb 0.15 -2.89 0.27 0.00 -0.81 0.00 0.00 33.47 30.18 1jiy s TRP 108 CO 0.61 -0.60 1.88 0.28 -0.51 0.00 0.00 176.95 178.62 1jiy h VAL 109 N 5.66 1.14 -0.40 4.03 2.07 -1.85 -2.07 116.25 124.83 1jiy h VAL 109 Ca -0.28 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 1jiy h VAL 109 Cb 1.12 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1jiy h VAL 109 CO 0.77 0.20 -0.05 0.00 0.02 0.00 0.00 177.57 178.51 1jiy h ALA 110 N 1.36 1.16 -0.20 1.67 0.00 -1.93 -1.25 119.26 120.08 1jiy h ALA 110 Ca 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1jiy h ALA 110 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1jiy h ALA 110 CO -0.12 0.54 -0.03 2.35 0.00 0.00 0.00 179.25 181.99 1jiy h TRP 111 N 0.62 0.41 -0.82 0.00 7.01 -1.75 0.13 115.95 121.55 1jiy h TRP 111 Ca 0.12 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 1jiy h TRP 111 Cb 0.47 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.39 1jiy h TRP 111 CO 0.02 0.59 0.43 -0.09 -2.79 0.00 0.00 178.44 176.61 1jiy h ARG 112 N 0.10 1.15 0.00 2.65 2.43 -1.18 0.37 114.38 119.90 1jiy h ARG 112 Ca 0.05 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1jiy h ARG 112 Cb 0.45 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1jiy h ARG 112 CO 0.02 0.86 -0.89 -0.91 -1.51 0.00 0.00 179.97 177.53 1jiy h ASN 113 N 1.14 0.00 0.00 -3.80 2.35 -1.20 -3.38 115.58 110.69 1jiy h ASN 113 Ca 0.29 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1jiy h ASN 113 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1jiy h ASN 113 CO -0.04 0.04 -0.06 0.54 -1.65 0.00 0.00 177.43 176.25 1jiy n ARG 114 N -2.51 4.05 -0.02 0.81 1.74 0.44 -4.91 116.66 116.27 1jiy n ARG 114 Ca 0.01 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.06 1jiy n ARG 114 Cb 0.52 -0.36 -0.01 0.00 -1.02 0.00 0.00 32.46 31.59 1jiy n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jiy n LYS 116 N -2.83 1.52 -1.01 0.00 4.81 0.11 -1.31 118.16 119.43 1jiy n LYS 116 Ca -0.06 0.55 -0.01 0.00 -0.87 0.00 0.00 58.31 57.93 1jiy n LYS 116 Cb 0.55 -2.25 -0.00 0.00 0.02 0.00 0.00 35.03 33.35 1jiy n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jiy n GLY 117 N 3.18 0.45 3.84 3.14 0.00 -1.26 -4.95 105.19 109.59 1jiy n GLY 117 Ca 0.20 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1jiy n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jiy s THR 118 N -1.87 1.98 -1.31 2.61 -4.23 -0.43 -5.02 115.64 107.38 1jiy s THR 118 Ca 0.00 -1.56 -0.17 0.00 -1.18 0.00 0.00 61.69 58.77 1jiy s THR 118 Cb 0.00 -2.54 0.07 0.00 1.34 0.00 0.00 72.50 71.37 1jiy s THR 118 CO 0.00 0.00 1.76 -0.67 -0.54 0.00 0.00 174.62 175.17 1jiy n ASP 119 N -1.54 4.88 0.28 3.99 2.03 -1.26 -4.76 116.55 120.18 1jiy n ASP 119 Ca -0.02 -2.92 0.18 0.00 0.52 0.00 0.00 54.79 52.55 1jiy n ASP 119 Cb 0.64 -1.73 0.76 0.00 -0.72 0.00 0.00 41.12 40.07 1jiy n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1jiy h VAL 120 N 5.40 0.00 0.00 5.18 -1.51 -1.90 -2.53 116.25 120.89 1jiy h VAL 120 Ca 0.45 -0.43 -0.01 0.00 -1.23 0.00 0.00 66.70 65.48 1jiy h VAL 120 Cb 0.85 1.42 -0.00 0.00 -2.13 0.00 0.00 31.29 31.43 1jiy h VAL 120 CO 1.48 0.00 -0.06 -0.61 -1.23 0.00 0.00 177.57 177.15 1jiy h GLN 121 N 0.00 0.00 0.00 5.19 -0.00 -1.88 -1.03 115.11 117.40 1jiy h GLN 121 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1jiy h GLN 121 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.91 1jiy h GLN 121 CO 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 178.83 178.88 1jiy h ALA 122 N 1.94 1.18 0.00 3.38 0.00 -1.85 -2.04 119.26 121.87 1jiy h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jiy h ALA 122 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jiy h ALA 122 CO 0.01 0.01 0.00 0.91 0.00 0.00 0.00 179.25 180.18 1jiy n TRP 123 N -3.36 0.82 -0.05 0.00 7.02 -0.39 -3.14 117.44 118.35 1jiy n TRP 123 Ca -0.03 0.28 0.02 0.00 -1.02 0.00 0.00 57.50 56.76 1jiy n TRP 123 Cb 0.10 -0.95 0.06 0.00 -2.42 0.00 0.00 31.31 28.10 1jiy n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1jiy n ILE 124 N -2.21 0.90 -1.92 -0.99 -5.35 -0.77 -4.83 119.36 104.19 1jiy n ILE 124 Ca 0.04 -0.95 -0.39 0.00 -0.27 0.00 0.00 62.75 61.18 1jiy n ILE 124 Cb 0.32 0.56 0.01 0.00 -1.74 0.00 0.00 39.64 38.80 1jiy n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jiy s ARG 125 N -0.94 3.66 0.00 6.28 1.70 -1.19 -2.53 118.95 125.94 1jiy s ARG 125 Ca 0.10 2.23 0.00 0.00 -0.47 0.00 0.00 55.73 57.59 1jiy s ARG 125 Cb 0.05 -2.58 0.00 0.00 -0.57 0.00 0.00 34.95 31.85 1jiy s ARG 125 CO 0.07 -0.77 0.00 0.41 -1.08 0.00 0.00 175.30 173.93 1jiy n GLY 126 N 0.63 0.68 3.82 3.88 0.00 -1.26 -4.99 105.19 107.95 1jiy n GLY 126 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1jiy n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jiy s ARG 128 N -2.22 3.31 0.00 0.00 3.52 -1.26 -5.13 118.95 117.16 1jiy s ARG 128 Ca 0.46 -1.53 0.13 0.00 -0.13 0.00 0.00 55.73 54.66 1jiy s ARG 128 Cb -0.15 -4.50 0.10 0.00 -1.56 0.00 0.00 34.95 28.85 1jiy s ARG 128 CO 0.20 -1.64 0.92 1.28 -0.81 0.00 0.00 175.30 175.25