#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jiz s PHE 1 N 0.00 2.81 0.10 1.61 -0.12 -1.26 -0.21 117.98 120.91 1jiz s PHE 1 Ca 0.00 1.56 0.07 0.00 -0.05 0.00 0.00 56.93 58.51 1jiz s PHE 1 Cb 0.00 -3.19 -0.03 0.00 -0.63 0.00 0.00 43.02 39.17 1jiz s PHE 1 CO 0.00 -1.27 -0.18 1.03 -0.05 0.00 0.00 175.22 174.75 1jiz s ARG 2 N -3.33 1.04 0.10 1.99 0.52 -1.23 -4.91 118.95 113.13 1jiz s ARG 2 Ca 0.70 -1.13 0.04 0.00 -0.52 0.00 0.00 55.73 54.81 1jiz s ARG 2 Cb -0.20 -1.18 -0.04 0.00 0.52 0.00 0.00 34.95 34.05 1jiz s ARG 2 CO 0.25 0.26 0.08 -1.83 0.02 0.00 0.00 175.30 174.08 1jiz s GLU 3 N -2.02 2.82 0.61 3.54 -1.05 -1.26 0.63 118.70 121.97 1jiz s GLU 3 Ca 0.05 -0.76 -0.19 0.00 -0.15 0.00 0.00 54.97 53.92 1jiz s GLU 3 Cb -0.09 -2.67 -0.03 0.00 -0.44 0.00 0.00 34.13 30.90 1jiz s GLU 3 CO 0.04 0.54 1.28 -1.64 0.95 0.00 0.00 175.26 176.43 1jiz s MET 4 N -2.54 2.78 0.15 -4.83 -1.94 -0.68 -4.46 119.30 107.79 1jiz s MET 4 Ca 0.29 2.01 -0.34 0.00 -1.71 0.00 0.00 55.69 55.95 1jiz s MET 4 Cb -0.12 -1.94 -0.14 0.00 2.01 0.00 0.00 34.83 34.65 1jiz s MET 4 CO 0.22 -1.40 1.60 -0.35 -0.01 0.00 0.00 175.02 175.07 1jiz n PRO 5 N -1.66 2.18 0.00 2.03 -0.04 -1.26 -1.01 135.00 135.24 1jiz n PRO 5 Ca 0.14 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 1jiz n PRO 5 Cb 0.48 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1jiz n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jiz n GLY 6 N 3.48 3.41 2.73 0.55 0.00 -1.26 -4.52 105.19 109.58 1jiz n GLY 6 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1jiz n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jiz n GLY 7 N -1.76 0.07 3.74 -0.02 0.00 -0.18 -4.97 105.19 102.07 1jiz n GLY 7 Ca 0.00 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1jiz n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jiz s PRO 8 N -5.76 4.26 0.04 1.61 0.04 -1.26 -5.03 135.00 128.89 1jiz s PRO 8 Ca 0.34 2.32 -0.04 0.00 0.04 0.00 0.00 61.00 63.66 1jiz s PRO 8 Cb -0.15 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 1jiz s PRO 8 CO 0.43 -0.44 0.05 0.14 0.04 0.00 0.00 177.00 177.22 1jiz s VAL 9 N 0.05 0.15 0.15 -0.36 -7.23 -1.26 -4.38 120.40 107.51 1jiz s VAL 9 Ca 0.60 -1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 59.26 1jiz s VAL 9 Cb -0.42 -0.92 -0.07 0.00 0.56 0.00 0.00 36.38 35.53 1jiz s VAL 9 CO 0.43 -0.67 1.09 0.26 -0.31 0.00 0.00 175.10 175.91 1jiz s TRP 10 N -2.70 3.60 -1.45 2.82 0.52 -1.26 -4.86 118.94 115.60 1jiz s TRP 10 Ca -0.04 1.58 0.14 0.00 0.02 0.00 0.00 56.10 57.80 1jiz s TRP 10 Cb -0.01 -3.27 0.50 0.00 -1.15 0.00 0.00 33.47 29.55 1jiz s TRP 10 CO -0.05 -0.59 1.38 0.54 0.02 0.00 0.00 176.95 178.24 1jiz n ARG 11 N 2.70 2.75 -4.25 4.98 1.74 -1.26 -4.88 116.66 118.44 1jiz n ARG 11 Ca 0.04 -1.98 -0.14 0.00 -0.77 0.00 0.00 57.85 54.99 1jiz n ARG 11 Cb 0.47 -1.63 -0.10 0.00 -1.02 0.00 0.00 32.46 30.18 1jiz n ARG 11 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1jiz s LYS 12 N -1.64 1.12 -0.17 5.56 -2.85 -1.26 -5.07 119.74 115.43 1jiz s LYS 12 Ca 0.36 -1.53 0.16 0.00 -1.00 0.00 0.00 55.97 53.96 1jiz s LYS 12 Cb 0.22 -0.37 -0.23 0.00 -2.06 0.00 0.00 37.83 35.39 1jiz s LYS 12 CO 0.19 -0.09 0.08 0.72 0.10 0.00 0.00 175.35 176.36 1jiz n HIS 13 N -0.25 0.00 -2.83 1.78 8.25 -1.26 -4.82 115.22 116.08 1jiz n HIS 13 Ca -0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 1jiz n HIS 13 Cb 0.63 -0.88 -0.04 0.00 1.12 0.00 0.00 29.99 30.82 1jiz n HIS 13 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1jiz s TYR 14 N -2.49 2.76 -0.07 4.41 4.12 -1.26 -1.15 117.35 123.67 1jiz s TYR 14 Ca -0.09 -0.10 0.03 0.00 0.02 0.00 0.00 57.07 56.94 1jiz s TYR 14 Cb 0.06 -4.12 -0.02 0.00 -1.52 0.00 0.00 41.96 36.36 1jiz s TYR 14 CO 0.75 -1.41 -0.16 0.42 0.02 0.00 0.00 175.55 175.17 1jiz s ILE 15 N 4.00 2.90 0.06 2.71 1.01 -0.41 -5.01 121.20 126.46 1jiz s ILE 15 Ca 0.29 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1jiz s ILE 15 Cb -0.13 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1jiz s ILE 15 CO 0.18 0.57 -0.03 0.42 0.00 0.00 0.00 174.94 176.07 1jiz s THR 16 N -0.35 3.84 0.09 2.92 -4.23 -1.26 -0.92 115.64 115.74 1jiz s THR 16 Ca 0.03 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1jiz s THR 16 Cb -0.12 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 1jiz s THR 16 CO 0.02 0.22 -0.08 -0.72 -0.54 0.00 0.00 174.62 173.52 1jiz s TYR 17 N -1.19 0.96 -0.10 3.99 1.13 -0.38 -0.77 117.35 120.98 1jiz s TYR 17 Ca 0.22 -0.75 -0.06 0.00 -1.41 0.00 0.00 57.07 55.07 1jiz s TYR 17 Cb -0.11 -0.53 0.04 0.00 -1.10 0.00 0.00 41.96 40.25 1jiz s TYR 17 CO 0.14 -0.06 0.25 0.50 -2.51 0.00 0.00 175.55 173.87 1jiz s ARG 18 N -3.14 0.24 -0.51 -3.49 3.52 -0.23 -1.01 118.95 114.33 1jiz s ARG 18 Ca 0.07 0.48 -0.24 0.00 -0.13 0.00 0.00 55.73 55.91 1jiz s ARG 18 Cb -0.00 -0.04 0.04 0.00 -1.56 0.00 0.00 34.95 33.39 1jiz s ARG 18 CO -0.02 -0.12 0.90 0.42 -0.81 0.00 0.00 175.30 175.67 1jiz s ILE 19 N 0.91 4.47 0.20 4.11 1.01 -1.26 -0.48 121.20 130.15 1jiz s ILE 19 Ca -0.06 0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.86 1jiz s ILE 19 Cb -0.08 -4.47 0.12 0.00 0.01 0.00 0.00 42.46 38.04 1jiz s ILE 19 CO -0.06 -0.97 1.85 -1.13 0.00 0.00 0.00 174.94 174.63 1jiz h ASN 20 N 9.19 0.70 -5.04 3.58 -1.24 -0.63 -3.47 115.58 118.68 1jiz h ASN 20 Ca -0.25 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 56.77 1jiz h ASN 20 Cb 1.08 -0.16 -0.08 0.00 0.73 0.00 0.00 38.32 39.89 1jiz h ASN 20 CO 1.05 0.49 0.16 0.54 -1.29 0.00 0.00 177.43 178.38 1jiz s ASN 21 N -5.74 -0.30 -0.00 1.15 4.22 -1.25 -5.07 114.94 107.95 1jiz s ASN 21 Ca -0.13 -0.51 0.05 0.00 -2.14 0.00 0.00 52.86 50.13 1jiz s ASN 21 Cb 0.14 0.67 -0.03 0.00 1.28 0.00 0.00 41.25 43.31 1jiz s ASN 21 CO 0.76 -1.21 -0.14 -0.31 -2.04 0.00 0.00 177.10 174.16 1jiz s TYR 22 N -3.89 2.68 0.32 1.54 1.51 -1.26 -4.50 117.35 113.75 1jiz s TYR 22 Ca 0.10 -0.17 -0.28 0.00 -1.01 0.00 0.00 57.07 55.71 1jiz s TYR 22 Cb -0.04 -1.56 -0.09 0.00 -0.11 0.00 0.00 41.96 40.16 1jiz s TYR 22 CO 0.02 0.25 1.10 -0.08 -1.11 0.00 0.00 175.55 175.73 1jiz s THR 23 N -0.87 3.48 -1.34 -0.71 -1.32 -1.26 -4.93 115.64 108.69 1jiz s THR 23 Ca 0.14 1.38 0.27 0.00 -1.21 0.00 0.00 61.69 62.26 1jiz s THR 23 Cb -0.11 -3.83 0.42 0.00 -1.51 0.00 0.00 72.50 67.47 1jiz s THR 23 CO 0.04 0.25 1.89 -0.81 -2.21 0.00 0.00 174.62 173.78 1jiz n PRO 24 N 0.78 0.30 0.11 7.08 -0.04 -1.26 -3.52 135.00 138.45 1jiz n PRO 24 Ca 0.01 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.47 1jiz n PRO 24 Cb 0.46 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.56 1jiz n PRO 24 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1jiz h ASP 25 N 0.00 0.14 -1.98 3.54 3.32 -1.91 -3.45 116.42 116.07 1jiz h ASP 25 Ca 0.00 -0.08 -0.59 0.00 0.02 0.00 0.00 57.03 56.38 1jiz h ASP 25 Cb 0.29 -0.04 -0.12 0.00 0.22 0.00 0.00 39.33 39.68 1jiz h ASP 25 CO 0.00 0.72 -0.65 -0.04 -1.72 0.00 0.00 179.24 177.55 1jiz s MET 26 N -3.68 1.99 0.21 3.56 -1.94 -1.23 -4.91 119.30 113.30 1jiz s MET 26 Ca -0.03 -1.77 -0.30 0.00 -1.71 0.00 0.00 55.69 51.88 1jiz s MET 26 Cb 0.12 -1.87 -0.08 0.00 2.01 0.00 0.00 34.83 35.01 1jiz s MET 26 CO 0.78 0.17 1.11 1.21 -0.01 0.00 0.00 175.02 178.28 1jiz s ASN 27 N -3.66 7.26 0.32 3.03 2.47 -1.26 -4.84 114.94 118.25 1jiz s ASN 27 Ca 0.33 2.15 0.06 0.00 0.42 0.00 0.00 52.86 55.82 1jiz s ASN 27 Cb -0.00 -2.61 0.87 0.00 -1.45 0.00 0.00 41.25 38.06 1jiz s ASN 27 CO 0.18 -0.20 1.58 -0.09 -3.72 0.00 0.00 177.10 174.85 1jiz h ARG 28 N 4.74 0.02 -0.11 0.43 2.43 -1.98 0.11 114.38 120.03 1jiz h ARG 28 Ca -0.45 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.56 1jiz h ARG 28 Cb 1.21 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1jiz h ARG 28 CO 0.71 0.02 -0.60 0.93 -1.51 0.00 0.00 179.97 179.52 1jiz h GLU 29 N 0.02 0.37 -0.41 0.20 5.08 -2.00 -2.54 114.58 115.31 1jiz h GLU 29 Ca 0.65 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1jiz h GLU 29 Cb 1.43 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 1jiz h GLU 29 CO -0.87 0.86 0.03 -0.44 -1.00 0.00 0.00 179.01 177.58 1jiz h ASP 30 N 0.27 0.60 -0.24 1.42 3.45 -1.37 -0.07 116.42 120.48 1jiz h ASP 30 Ca -0.00 -0.12 -0.02 0.00 0.43 0.00 0.00 57.03 57.32 1jiz h ASP 30 Cb 1.12 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.72 1jiz h ASP 30 CO 0.10 0.65 0.09 0.58 -1.57 0.00 0.00 179.24 179.09 1jiz h VAL 31 N 0.61 1.18 -0.73 -1.35 2.07 -1.21 0.12 116.25 116.93 1jiz h VAL 31 Ca 0.13 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1jiz h VAL 31 Cb 0.34 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1jiz h VAL 31 CO 0.01 0.18 0.48 0.44 0.02 0.00 0.00 177.57 178.70 1jiz h ASP 32 N 0.23 0.81 0.29 0.57 3.32 -1.01 -1.89 116.42 118.74 1jiz h ASP 32 Ca 0.08 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1jiz h ASP 32 Cb 0.20 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1jiz h ASP 32 CO -0.00 0.57 -0.14 0.22 -1.72 0.00 0.00 179.24 178.17 1jiz h TYR 33 N 0.95 -0.36 -0.10 4.55 5.03 -0.68 -0.43 116.97 125.94 1jiz h TYR 33 Ca 0.28 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.62 1jiz h TYR 33 Cb -0.06 0.12 -0.06 0.00 1.55 0.00 0.00 36.73 38.28 1jiz h TYR 33 CO -0.03 -0.19 -0.41 0.00 -1.32 0.00 0.00 178.16 176.21 1jiz h ALA 34 N 0.26 -0.59 -0.36 1.82 0.00 -0.50 -0.20 119.26 119.68 1jiz h ALA 34 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1jiz h ALA 34 Cb 0.33 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1jiz h ALA 34 CO 0.07 -0.92 0.17 0.82 0.00 0.00 0.00 179.25 179.39 1jiz h ILE 35 N -0.50 1.16 -0.23 0.00 5.03 -1.35 -0.11 117.51 121.51 1jiz h ILE 35 Ca 0.07 -0.46 0.05 0.00 -0.12 0.00 0.00 64.86 64.40 1jiz h ILE 35 Cb 0.63 0.81 -0.05 0.00 -3.03 0.00 0.00 36.82 35.17 1jiz h ILE 35 CO -0.38 0.17 -0.12 -0.09 -0.68 0.00 0.00 178.15 177.05 1jiz h ARG 36 N 0.44 -0.10 -0.38 2.37 2.43 -0.79 -0.20 114.38 118.16 1jiz h ARG 36 Ca 0.12 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1jiz h ARG 36 Cb 0.11 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1jiz h ARG 36 CO -0.02 -0.06 0.02 0.87 -1.51 0.00 0.00 179.97 179.27 1jiz h LYS 37 N -0.10 0.59 -0.28 0.20 1.79 -0.88 -1.36 116.57 116.53 1jiz h LYS 37 Ca 0.13 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1jiz h LYS 37 Cb 0.29 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 1jiz h LYS 37 CO -0.29 0.60 0.12 0.00 -1.08 0.00 0.00 179.45 178.79 1jiz h ALA 38 N 1.46 0.36 -0.61 3.86 0.00 0.11 -1.98 119.26 122.48 1jiz h ALA 38 Ca 0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1jiz h ALA 38 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1jiz h ALA 38 CO 0.01 -0.05 0.12 0.74 0.00 0.00 0.00 179.25 180.08 1jiz h PHE 39 N 0.31 1.00 -0.59 0.00 -1.00 -0.83 -2.80 116.94 113.03 1jiz h PHE 39 Ca 0.09 -0.11 0.10 0.00 2.81 0.00 0.00 57.97 60.86 1jiz h PHE 39 Cb 0.17 -0.29 -0.08 0.00 3.61 0.00 0.00 35.95 39.37 1jiz h PHE 39 CO -0.01 0.84 0.17 0.37 -1.61 0.00 0.00 178.31 178.07 1jiz h GLN 40 N 0.91 0.31 -1.04 1.51 5.75 -0.84 -0.79 115.11 120.92 1jiz h GLN 40 Ca 0.19 -0.02 0.27 0.00 -0.15 0.00 0.00 58.65 58.94 1jiz h GLN 40 Cb 0.36 -0.07 -0.10 0.00 1.07 0.00 0.00 27.48 28.74 1jiz h GLN 40 CO 0.00 0.21 0.67 0.28 -2.65 0.00 0.00 178.83 177.34 1jiz h VAL 41 N 0.32 0.51 0.00 2.39 2.07 -1.08 -0.73 116.25 119.73 1jiz h VAL 41 Ca 0.30 -0.13 -0.27 0.00 0.82 0.00 0.00 66.70 67.42 1jiz h VAL 41 Cb 0.41 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 1jiz h VAL 41 CO -0.34 0.07 -1.58 -0.50 0.02 0.00 0.00 177.57 175.23 1jiz h TRP 42 N 0.39 0.00 -0.57 1.57 4.06 -1.26 -3.36 115.95 116.78 1jiz h TRP 42 Ca 0.60 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.48 1jiz h TRP 42 Cb 1.52 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.66 1jiz h TRP 42 CO -0.00 0.97 0.09 0.77 -3.56 0.00 0.00 178.44 176.71 1jiz h SER 43 N 0.00 0.90 -0.41 -3.49 0.02 -0.29 -3.00 113.55 107.27 1jiz h SER 43 Ca -0.24 -0.26 0.12 0.00 -0.84 0.00 0.00 61.79 60.57 1jiz h SER 43 Cb 1.95 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 64.23 1jiz h SER 43 CO 0.08 0.93 0.38 0.78 -1.14 0.00 0.00 176.83 177.86 1jiz h ASN 44 N 0.83 0.00 -0.20 3.07 -0.26 -1.34 -2.39 115.58 115.29 1jiz h ASN 44 Ca 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1jiz h ASN 44 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 1jiz h ASN 44 CO 0.01 0.00 0.00 1.33 -1.06 0.00 0.00 177.43 177.71 1jiz n VAL 45 N -3.96 1.19 -4.11 2.81 0.24 -1.14 -5.04 118.33 108.32 1jiz n VAL 45 Ca 0.07 -1.17 -0.12 0.00 -2.04 0.00 0.00 64.34 61.08 1jiz n VAL 45 Cb 0.56 0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 33.23 1jiz n VAL 45 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1jiz s THR 46 N -1.31 0.00 -2.02 3.34 -4.23 -0.90 -4.69 115.64 105.83 1jiz s THR 46 Ca 0.18 -1.73 0.11 0.00 -1.18 0.00 0.00 61.69 59.07 1jiz s THR 46 Cb 0.11 -2.40 0.31 0.00 1.34 0.00 0.00 72.50 71.86 1jiz s THR 46 CO 0.09 0.00 1.40 -0.81 -0.54 0.00 0.00 174.62 174.76 1jiz n PRO 47 N -0.36 1.10 -2.65 3.99 -0.04 -1.26 -4.81 135.00 130.98 1jiz n PRO 47 Ca 0.01 -0.16 -0.37 0.00 -0.04 0.00 0.00 63.50 62.94 1jiz n PRO 47 Cb 0.64 -1.19 -0.05 0.00 -0.04 0.00 0.00 33.50 32.86 1jiz n PRO 47 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jiz s LEU 48 N -1.32 4.23 -0.07 1.53 1.43 -1.26 -4.86 118.68 118.35 1jiz s LEU 48 Ca 0.17 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1jiz s LEU 48 Cb 0.08 -4.11 0.02 0.00 0.03 0.00 0.00 46.19 42.22 1jiz s LEU 48 CO 0.13 -0.29 -0.06 -0.54 0.23 0.00 0.00 176.35 175.82 1jiz s LYS 49 N -2.30 1.14 -0.13 1.70 1.02 -0.30 -4.56 119.74 116.30 1jiz s LYS 49 Ca 0.54 -0.16 -0.03 0.00 0.02 0.00 0.00 55.97 56.34 1jiz s LYS 49 Cb -0.20 -1.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.90 1jiz s LYS 49 CO 0.26 -0.15 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.46 1jiz s PHE 50 N 1.28 3.08 -0.07 3.18 0.08 -1.26 -1.29 117.98 122.98 1jiz s PHE 50 Ca -0.04 -0.09 0.02 0.00 0.12 0.00 0.00 56.93 56.93 1jiz s PHE 50 Cb -0.14 -1.91 0.01 0.00 -0.57 0.00 0.00 43.02 40.41 1jiz s PHE 50 CO -0.02 0.15 -0.14 0.45 -0.10 0.00 0.00 175.22 175.56 1jiz s SER 51 N -0.05 1.98 0.07 1.36 0.15 -0.09 -4.99 113.70 112.12 1jiz s SER 51 Ca 0.03 -0.34 -0.27 0.00 0.70 0.00 0.00 55.95 56.07 1jiz s SER 51 Cb -0.13 -0.91 -0.06 0.00 -1.71 0.00 0.00 66.02 63.21 1jiz s SER 51 CO 0.02 0.04 0.83 -0.75 1.20 0.00 0.00 173.24 174.58 1jiz s LYS 52 N 0.67 4.56 0.13 5.44 2.20 -1.26 -1.25 119.74 130.22 1jiz s LYS 52 Ca -0.14 1.19 0.07 0.00 -0.36 0.00 0.00 55.97 56.73 1jiz s LYS 52 Cb -0.16 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1jiz s LYS 52 CO 0.04 0.27 -0.17 0.96 -0.36 0.00 0.00 175.35 176.09 1jiz s ILE 53 N -0.08 1.52 -0.32 5.43 -4.36 -0.18 -4.92 121.20 118.29 1jiz s ILE 53 Ca 0.41 -1.70 0.13 0.00 -0.26 0.00 0.00 60.65 59.23 1jiz s ILE 53 Cb -0.21 -1.58 -0.18 0.00 1.25 0.00 0.00 42.46 41.74 1jiz s ILE 53 CO 0.25 -0.30 0.43 0.59 0.24 0.00 0.00 174.94 176.15 1jiz n ASN 54 N 0.64 1.26 -3.96 4.36 5.03 -1.26 -4.40 115.26 116.93 1jiz n ASN 54 Ca -0.16 -0.41 -0.09 0.00 0.87 0.00 0.00 54.58 54.79 1jiz n ASN 54 Cb 0.56 1.31 -0.10 0.00 -1.02 0.00 0.00 39.78 40.53 1jiz n ASN 54 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1jiz s THR 55 N -2.59 0.12 0.00 3.41 -4.23 -1.26 -5.05 115.64 106.04 1jiz s THR 55 Ca 0.00 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1jiz s THR 55 Cb 0.09 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.37 1jiz s THR 55 CO 0.55 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1jiz n GLY 56 N 1.23 -3.52 3.55 3.99 0.00 -1.26 -4.90 105.19 104.28 1jiz n GLY 56 Ca -0.22 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.31 1jiz n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jiz s MET 57 N -0.68 3.62 0.41 1.61 -1.94 -1.26 -5.07 119.30 115.99 1jiz s MET 57 Ca 0.00 -0.44 -0.03 0.00 -1.71 0.00 0.00 55.69 53.51 1jiz s MET 57 Cb 0.00 -3.78 -0.04 0.00 2.01 0.00 0.00 34.83 33.03 1jiz s MET 57 CO 0.00 -0.44 0.67 0.00 -0.01 0.00 0.00 175.02 175.24 1jiz s ALA 58 N 1.90 3.54 0.15 3.03 0.00 -1.26 -4.99 121.76 124.12 1jiz s ALA 58 Ca 0.10 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 1jiz s ALA 58 Cb -0.17 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 1jiz s ALA 58 CO 0.11 -0.17 1.53 -0.44 0.00 0.00 0.00 175.76 176.79 1jiz h ASP 59 N 0.56 1.02 -3.22 0.00 3.32 -1.32 -3.42 116.42 113.36 1jiz h ASP 59 Ca -0.48 -0.41 -0.67 0.00 0.02 0.00 0.00 57.03 55.48 1jiz h ASP 59 Cb 1.21 -0.28 -0.33 0.00 0.22 0.00 0.00 39.33 40.15 1jiz h ASP 59 CO 0.62 1.21 -0.85 -0.63 -1.72 0.00 0.00 179.24 177.87 1jiz s ILE 60 N -4.60 2.28 -0.17 0.35 1.01 0.02 -4.56 121.20 115.52 1jiz s ILE 60 Ca -0.11 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 1jiz s ILE 60 Cb 0.12 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1jiz s ILE 60 CO 0.87 0.54 -0.01 -0.22 0.00 0.00 0.00 174.94 176.12 1jiz s LEU 61 N 0.85 3.37 -0.23 2.97 2.96 -1.26 -1.06 118.68 126.28 1jiz s LEU 61 Ca -0.06 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 1jiz s LEU 61 Cb -0.15 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1jiz s LEU 61 CO -0.02 0.16 0.12 -0.69 -1.32 0.00 0.00 176.35 174.60 1jiz s VAL 62 N 0.45 5.01 0.01 1.68 1.01 0.36 -1.10 120.40 127.82 1jiz s VAL 62 Ca -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1jiz s VAL 62 Cb -0.14 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1jiz s VAL 62 CO 0.02 0.36 0.02 0.54 0.00 0.00 0.00 175.10 176.05 1jiz s VAL 63 N 1.06 0.08 -0.27 2.92 0.11 -0.50 0.19 120.40 123.99 1jiz s VAL 63 Ca 0.06 -0.67 -0.06 0.00 -2.93 0.00 0.00 61.98 58.38 1jiz s VAL 63 Cb -0.14 -0.26 -0.00 0.00 -1.53 0.00 0.00 36.38 34.46 1jiz s VAL 63 CO 0.04 -0.37 0.04 -0.36 -3.33 0.00 0.00 175.10 171.12 1jiz s PHE 64 N -1.13 3.09 0.10 1.54 0.40 -1.26 -0.41 117.98 120.31 1jiz s PHE 64 Ca -0.12 -0.92 0.02 0.00 -0.60 0.00 0.00 56.93 55.31 1jiz s PHE 64 Cb -0.07 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 1jiz s PHE 64 CO -0.00 -0.54 -0.08 0.00 0.70 0.00 0.00 175.22 175.30 1jiz s ALA 65 N 1.50 1.06 -0.02 5.36 0.00 -0.44 -4.81 121.76 124.41 1jiz s ALA 65 Ca 0.04 -1.32 0.07 0.00 0.00 0.00 0.00 51.96 50.74 1jiz s ALA 65 Cb -0.16 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1jiz s ALA 65 CO 0.01 -0.17 -0.22 0.50 0.00 0.00 0.00 175.76 175.88 1jiz s ARG 66 N -3.56 2.21 2.02 0.00 3.52 -1.26 0.12 118.95 122.00 1jiz s ARG 66 Ca 0.11 -0.87 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 1jiz s ARG 66 Cb 0.03 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.27 1jiz s ARG 66 CO -0.03 0.58 0.00 0.41 -0.81 0.00 0.00 175.30 175.45 1jiz n GLY 67 N 2.29 2.27 3.66 8.12 0.00 -1.26 -4.27 105.19 116.00 1jiz n GLY 67 Ca -0.16 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1jiz n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jiz s ALA 68 N -1.29 3.63 -0.24 4.61 0.00 -1.26 -1.12 121.76 126.08 1jiz s ALA 68 Ca 0.00 0.60 0.16 0.00 0.00 0.00 0.00 51.96 52.72 1jiz s ALA 68 Cb 0.00 -3.67 0.47 0.00 0.00 0.00 0.00 23.12 19.92 1jiz s ALA 68 CO 0.00 -1.29 1.16 -2.39 0.00 0.00 0.00 175.76 173.23 1jiz n HIS 69 N 6.88 1.62 -1.03 0.00 1.44 -1.26 -5.00 115.22 117.86 1jiz n HIS 69 Ca 0.15 -1.96 -0.01 0.00 -2.01 0.00 0.00 57.72 53.89 1jiz n HIS 69 Cb 0.44 -0.27 -0.01 0.00 0.12 0.00 0.00 29.99 30.28 1jiz n HIS 69 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1jiz n GLY 70 N -0.59 0.48 0.06 -1.39 0.00 -1.26 -4.93 105.19 97.57 1jiz n GLY 70 Ca 0.23 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1jiz n GLY 70 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jiz n ASP 71 N 1.62 0.57 -0.88 1.61 3.85 -1.26 -5.00 116.55 117.06 1jiz n ASP 71 Ca -0.01 -1.43 -0.11 0.00 -0.71 0.00 0.00 54.79 52.52 1jiz n ASP 71 Cb 0.04 -0.04 -0.05 0.00 -1.35 0.00 0.00 41.12 39.72 1jiz n ASP 71 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1jiz n PHE 72 N -0.18 0.00 -3.39 2.11 3.01 -1.26 -4.91 117.46 112.84 1jiz n PHE 72 Ca 0.01 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.21 1jiz n PHE 72 Cb 0.47 -2.38 -0.08 0.00 -0.01 0.00 0.00 39.48 37.48 1jiz n PHE 72 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1jiz n HIS 73 N -2.49 1.76 -2.15 1.38 8.25 -1.26 -5.11 115.22 115.60 1jiz n HIS 73 Ca -0.11 -3.89 -0.40 0.00 -0.26 0.00 0.00 57.72 53.06 1jiz n HIS 73 Cb 0.47 -0.41 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 1jiz n HIS 73 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jiz s ALA 74 N -1.66 3.34 0.65 -1.41 0.00 -1.26 -4.79 121.76 116.62 1jiz s ALA 74 Ca 0.36 1.17 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 1jiz s ALA 74 Cb 0.12 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1jiz s ALA 74 CO -0.08 -0.65 1.04 -0.06 0.00 0.00 0.00 175.76 176.00 1jiz s PHE 75 N -1.23 3.49 -0.22 0.00 2.99 -0.27 -4.90 117.98 117.83 1jiz s PHE 75 Ca 0.53 1.14 0.14 0.00 0.00 0.00 0.00 56.93 58.74 1jiz s PHE 75 Cb -0.37 -2.84 0.52 0.00 0.00 0.00 0.00 43.02 40.33 1jiz s PHE 75 CO 0.48 -0.87 1.44 -0.40 -0.00 0.00 0.00 175.22 175.87 1jiz n ASP 76 N -2.82 3.38 0.00 1.36 3.85 -1.26 -4.16 116.55 116.90 1jiz n ASP 76 Ca 0.06 -3.28 0.00 0.00 -0.71 0.00 0.00 54.79 50.86 1jiz n ASP 76 Cb 0.55 -0.58 0.00 0.00 -1.35 0.00 0.00 41.12 39.74 1jiz n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jiz n GLY 77 N -0.76 -2.29 3.72 6.12 0.00 -1.26 -4.82 105.19 105.90 1jiz n GLY 77 Ca 0.26 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1jiz n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jiz n LYS 78 N -0.81 2.72 0.00 1.61 4.81 -1.25 -4.68 118.16 120.56 1jiz n LYS 78 Ca 0.00 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 1jiz n LYS 78 Cb 0.00 -2.80 0.00 0.00 0.02 0.00 0.00 35.03 32.25 1jiz n LYS 78 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jiz n GLY 79 N 3.39 -3.41 7.00 3.14 0.00 -1.26 -5.02 105.19 109.03 1jiz n GLY 79 Ca 0.14 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1jiz n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jiz n GLY 80 N -0.07 3.49 3.70 -0.02 0.00 -1.26 -4.58 105.19 106.45 1jiz n GLY 80 Ca 0.00 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1jiz n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jiz s ILE 81 N 0.00 2.67 -0.21 -0.61 1.01 -1.26 -4.91 121.20 117.89 1jiz s ILE 81 Ca 0.00 0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.83 1jiz s ILE 81 Cb 0.00 -3.16 -0.19 0.00 0.01 0.00 0.00 42.46 39.11 1jiz s ILE 81 CO 0.00 0.00 0.02 0.18 0.00 0.00 0.00 174.94 175.14 1jiz n LEU 82 N 5.25 2.50 -3.76 2.97 4.77 -1.26 -4.73 117.00 122.74 1jiz n LEU 82 Ca 0.16 0.15 -0.03 0.00 -0.03 0.00 0.00 56.01 56.26 1jiz n LEU 82 Cb 0.39 -0.97 -0.01 0.00 -2.33 0.00 0.00 43.42 40.49 1jiz n LEU 82 CO 0.64 0.74 0.72 0.00 -1.33 0.00 0.00 177.39 178.15 1jiz s ALA 83 N -2.50 -1.64 -0.02 -1.18 0.00 -1.26 -0.71 121.76 114.44 1jiz s ALA 83 Ca -0.31 0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.51 1jiz s ALA 83 Cb 0.09 0.65 0.05 0.00 0.00 0.00 0.00 23.12 23.91 1jiz s ALA 83 CO 0.63 -1.05 0.55 -3.38 0.00 0.00 0.00 175.76 172.52 1jiz s HIS 84 N -3.29 -0.48 0.22 0.00 -3.43 -0.27 -4.99 115.29 103.05 1jiz s HIS 84 Ca 0.12 0.75 -0.00 0.00 -0.80 0.00 0.00 55.06 55.13 1jiz s HIS 84 Cb -0.01 0.32 -0.04 0.00 -1.43 0.00 0.00 32.58 31.41 1jiz s HIS 84 CO 0.02 -0.56 0.14 0.00 -2.00 0.00 0.00 174.74 172.34 1jiz s ALA 85 N -1.54 1.30 0.07 -1.38 0.00 -1.26 -0.27 121.76 118.68 1jiz s ALA 85 Ca -0.10 -1.74 0.10 0.00 0.00 0.00 0.00 51.96 50.21 1jiz s ALA 85 Cb -0.01 1.35 -0.03 0.00 0.00 0.00 0.00 23.12 24.42 1jiz s ALA 85 CO 0.06 -0.58 -0.26 -0.06 0.00 0.00 0.00 175.76 174.92 1jiz s PHE 86 N -4.05 2.28 0.94 0.00 0.40 -0.47 -4.87 117.98 112.21 1jiz s PHE 86 Ca 0.39 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 56.21 1jiz s PHE 86 Cb 0.07 -1.32 0.15 0.00 0.51 0.00 0.00 43.02 42.42 1jiz s PHE 86 CO 0.13 0.20 1.08 0.41 0.70 0.00 0.00 175.22 177.74 1jiz n GLY 87 N 1.48 -0.60 3.52 4.36 0.00 -1.25 -0.60 105.19 112.10 1jiz n GLY 87 Ca -0.17 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.66 1jiz n GLY 87 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jiz n PRO 88 N -4.09 0.90 0.00 1.61 -0.02 -1.17 -1.62 135.00 130.62 1jiz n PRO 88 Ca 0.11 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1jiz n PRO 88 Cb 0.52 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1jiz n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jiz n GLY 89 N 1.51 2.62 3.93 -1.23 0.00 -1.26 -4.74 105.19 106.01 1jiz n GLY 89 Ca 0.12 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.76 1jiz n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jiz s SER 90 N 0.00 4.73 0.92 1.61 1.04 -1.26 -3.80 113.70 116.94 1jiz s SER 90 Ca 0.00 0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1jiz s SER 90 Cb 0.00 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 65.03 1jiz s SER 90 CO 0.00 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.17 1jiz n GLY 91 N -2.98 0.91 0.16 7.32 0.00 -1.26 -2.77 105.19 106.57 1jiz n GLY 91 Ca 0.08 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1jiz n GLY 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jiz h ILE 92 N 0.00 0.00 -1.98 -0.61 2.10 -1.95 -3.45 117.51 111.62 1jiz h ILE 92 Ca 0.00 -0.19 -0.64 0.00 1.08 0.00 0.00 64.86 65.11 1jiz h ILE 92 Cb 0.00 0.88 0.07 0.00 -1.09 0.00 0.00 36.82 36.68 1jiz h ILE 92 CO 0.00 0.00 0.47 0.61 -1.08 0.00 0.00 178.15 178.15 1jiz n GLY 93 N -0.38 0.48 2.77 8.18 0.00 -1.11 -1.22 105.19 113.92 1jiz n GLY 93 Ca 0.01 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1jiz n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jiz n GLY 94 N 2.46 2.70 3.77 -0.02 0.00 0.23 -4.44 105.19 109.89 1jiz n GLY 94 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1jiz n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jiz s ASP 95 N -3.28 6.58 -0.15 1.61 1.01 -0.36 -4.43 116.67 117.65 1jiz s ASP 95 Ca 0.00 2.27 0.02 0.00 0.71 0.00 0.00 52.55 55.55 1jiz s ASP 95 Cb 0.00 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.34 1jiz s ASP 95 CO 0.00 -0.63 -0.20 0.00 0.21 0.00 0.00 175.17 174.55 1jiz s ALA 96 N -1.46 2.20 -0.13 5.23 0.00 -0.25 -1.36 121.76 125.97 1jiz s ALA 96 Ca 0.57 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1jiz s ALA 96 Cb -0.29 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 1jiz s ALA 96 CO 0.36 -0.16 -0.09 -1.01 0.00 0.00 0.00 175.76 174.86 1jiz s HIS 97 N 1.03 2.90 -0.14 0.00 3.76 0.62 -1.40 115.29 122.06 1jiz s HIS 97 Ca -0.02 -0.45 -0.01 0.00 -0.15 0.00 0.00 55.06 54.43 1jiz s HIS 97 Cb -0.14 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.65 1jiz s HIS 97 CO -0.06 -0.09 -0.11 -0.06 -0.85 0.00 0.00 174.74 173.57 1jiz s PHE 98 N 0.25 2.86 -0.12 1.40 0.40 0.45 -1.11 117.98 122.11 1jiz s PHE 98 Ca -0.06 -0.65 -0.29 0.00 -0.60 0.00 0.00 56.93 55.33 1jiz s PHE 98 Cb -0.15 -1.89 -0.06 0.00 0.51 0.00 0.00 43.02 41.43 1jiz s PHE 98 CO 0.04 -0.23 1.99 0.34 0.70 0.00 0.00 175.22 178.06 1jiz s ASP 99 N 0.49 6.04 0.01 1.36 -1.08 0.11 -1.32 116.67 122.28 1jiz s ASP 99 Ca -0.08 2.13 0.16 0.00 -0.52 0.00 0.00 52.55 54.24 1jiz s ASP 99 Cb -0.15 -2.52 0.67 0.00 -1.46 0.00 0.00 42.92 39.46 1jiz s ASP 99 CO 0.04 -1.46 1.50 1.21 0.52 0.00 0.00 175.17 176.98 1jiz n GLU 100 N 8.05 0.01 0.00 4.34 4.07 0.12 -2.06 120.64 135.17 1jiz n GLU 100 Ca 0.24 0.24 0.14 0.00 -0.06 0.00 0.00 57.16 57.72 1jiz n GLU 100 Cb 0.44 -1.51 0.65 0.00 -0.06 0.00 0.00 31.44 30.95 1jiz n GLU 100 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1jiz n ASP 101 N -1.53 0.06 -4.91 4.31 8.00 -1.26 -4.75 116.55 116.47 1jiz n ASP 101 Ca 0.04 0.15 -0.27 0.00 0.71 0.00 0.00 54.79 55.42 1jiz n ASP 101 Cb 0.18 -0.35 -0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1jiz n ASP 101 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1jiz s GLU 102 N -2.81 3.54 -0.46 -1.24 0.41 -0.87 -3.84 118.70 113.42 1jiz s GLU 102 Ca 0.20 0.13 -0.16 0.00 -0.41 0.00 0.00 54.97 54.73 1jiz s GLU 102 Cb 0.19 -2.42 0.06 0.00 -1.78 0.00 0.00 34.13 30.19 1jiz s GLU 102 CO 0.51 -0.15 0.40 0.12 -0.49 0.00 0.00 175.26 175.64 1jiz s PHE 103 N -2.68 3.23 0.03 1.61 5.36 -1.26 -4.99 117.98 119.28 1jiz s PHE 103 Ca 0.46 -0.80 -0.29 0.00 -0.96 0.00 0.00 56.93 55.34 1jiz s PHE 103 Cb -0.10 -3.07 -0.04 0.00 -0.34 0.00 0.00 43.02 39.47 1jiz s PHE 103 CO 0.43 -0.77 0.93 -1.58 -1.46 0.00 0.00 175.22 172.77 1jiz s TRP 104 N 1.75 3.71 0.37 10.12 0.52 -1.26 0.05 118.94 134.19 1jiz s TRP 104 Ca 0.05 1.67 0.07 0.00 0.02 0.00 0.00 56.10 57.91 1jiz s TRP 104 Cb -0.22 -3.04 -0.02 0.00 -1.15 0.00 0.00 33.47 29.03 1jiz s TRP 104 CO 0.08 0.10 0.24 0.25 0.02 0.00 0.00 176.95 177.64 1jiz n THR 105 N 3.42 0.00 -0.04 2.01 -2.24 -0.49 -4.23 114.28 112.71 1jiz n THR 105 Ca 0.03 -2.49 0.06 0.00 -2.27 0.00 0.00 64.05 59.38 1jiz n THR 105 Cb 0.50 1.11 0.14 0.00 -2.10 0.00 0.00 70.33 69.98 1jiz n THR 105 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jiz n THR 106 N -0.77 0.78 -3.32 4.28 -2.24 -1.26 -2.32 114.28 109.43 1jiz n THR 106 Ca 0.03 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1jiz n THR 106 Cb 0.63 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1jiz n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jiz n HIS 107 N 0.58 0.00 0.39 4.78 1.44 -1.26 -4.96 115.22 116.18 1jiz n HIS 107 Ca 0.11 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.96 1jiz n HIS 107 Cb 0.40 0.00 0.49 0.00 0.12 0.00 0.00 29.99 31.01 1jiz n HIS 107 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1jiz h SER 108 N 0.00 0.00 -4.12 4.39 4.64 -1.96 -3.37 113.55 113.13 1jiz h SER 108 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1jiz h SER 108 Cb 0.00 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.18 1jiz h SER 108 CO 0.00 0.00 0.42 -0.83 -0.87 0.00 0.00 176.83 175.55 1jiz s GLY 109 N -3.81 2.53 0.00 -0.77 0.00 -1.26 -4.75 107.32 99.26 1jiz s GLY 109 Ca 0.05 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.57 1jiz s GLY 109 CO 0.51 1.17 0.00 0.61 0.00 0.00 0.00 173.10 175.38 1jiz n GLY 110 N 0.09 2.27 3.34 0.20 0.00 -1.26 -4.37 105.19 105.46 1jiz n GLY 110 Ca 0.12 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1jiz n GLY 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jiz s THR 111 N 0.00 3.29 -0.26 2.61 2.01 0.11 -4.96 115.64 118.45 1jiz s THR 111 Ca 0.00 -0.54 -0.29 0.00 0.31 0.00 0.00 61.69 61.17 1jiz s THR 111 Cb 0.00 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 1jiz s THR 111 CO 0.00 0.46 1.45 0.21 -0.69 0.00 0.00 174.62 176.06 1jiz s ASN 112 N 1.04 6.54 0.16 3.53 3.84 -1.26 -1.39 114.94 127.40 1jiz s ASN 112 Ca 0.00 1.43 -0.16 0.00 0.21 0.00 0.00 52.86 54.34 1jiz s ASN 112 Cb -0.15 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 38.05 1jiz s ASN 112 CO -0.01 -1.15 1.82 0.25 -2.79 0.00 0.00 177.10 175.22 1jiz h LEU 113 N 11.22 0.49 0.04 3.21 5.85 -1.80 -2.82 115.31 131.50 1jiz h LEU 113 Ca -0.30 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.44 1jiz h LEU 113 Cb 1.12 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1jiz h LEU 113 CO 1.02 0.35 -0.25 0.15 -0.34 0.00 0.00 178.44 179.37 1jiz h PHE 114 N 0.58 -0.66 0.18 1.25 3.57 -1.86 -0.62 116.94 119.38 1jiz h PHE 114 Ca 0.16 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1jiz h PHE 114 Cb -0.06 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1jiz h PHE 114 CO -0.05 -0.34 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.34 1jiz h LEU 115 N -0.41 -0.80 -0.47 0.59 3.38 -1.92 -1.95 115.31 113.73 1jiz h LEU 115 Ca 0.05 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1jiz h LEU 115 Cb 0.47 0.29 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 1jiz h LEU 115 CO -0.19 -0.39 0.09 0.74 0.09 0.00 0.00 178.44 178.78 1jiz h THR 116 N -0.54 0.73 -0.83 0.22 2.02 -1.39 -2.09 112.91 111.02 1jiz h THR 116 Ca 0.02 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1jiz h THR 116 Cb 0.54 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 1jiz h THR 116 CO -0.13 0.04 0.53 0.00 0.37 0.00 0.00 175.52 176.33 1jiz h ALA 117 N 1.37 1.12 -0.00 6.16 0.00 -0.88 0.10 119.26 127.13 1jiz h ALA 117 Ca 0.24 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1jiz h ALA 117 Cb 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1jiz h ALA 117 CO -0.32 0.32 -0.07 0.28 0.00 0.00 0.00 179.25 179.47 1jiz h VAL 118 N 1.00 0.83 -0.34 0.00 2.07 -0.68 0.25 116.25 119.39 1jiz h VAL 118 Ca 0.35 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.91 1jiz h VAL 118 Cb 0.07 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1jiz h VAL 118 CO -0.14 0.00 0.09 -0.74 0.02 0.00 0.00 177.57 176.80 1jiz h HIS 119 N -0.12 0.16 -0.30 1.57 6.17 -1.04 -1.93 115.15 119.67 1jiz h HIS 119 Ca 0.03 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.12 1jiz h HIS 119 Cb 0.15 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.05 1jiz h HIS 119 CO -0.14 0.05 0.16 0.93 0.71 0.00 0.00 177.93 179.64 1jiz h GLU 120 N 0.22 0.42 0.00 5.26 4.39 -0.35 -1.98 114.58 122.55 1jiz h GLU 120 Ca 0.16 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1jiz h GLU 120 Cb 0.15 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1jiz h GLU 120 CO -0.18 0.37 -0.03 0.82 -1.16 0.00 0.00 179.01 178.82 1jiz h ILE 121 N 0.36 0.26 -0.57 3.13 2.04 -0.28 0.18 117.51 122.63 1jiz h ILE 121 Ca 0.10 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1jiz h ILE 121 Cb 0.07 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1jiz h ILE 121 CO -0.02 0.03 0.15 1.23 0.00 0.00 0.00 178.15 179.54 1jiz h GLY 122 N 0.47 0.93 0.83 5.37 0.00 -0.56 -1.43 103.07 108.68 1jiz h GLY 122 Ca -0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 1jiz h GLY 122 CO 0.00 0.50 -0.40 0.45 0.00 0.00 0.00 176.54 177.09 1jiz h HIS 123 N 0.84 0.64 -0.62 5.60 3.86 -0.60 0.45 115.15 125.31 1jiz h HIS 123 Ca 0.19 -0.26 0.18 0.00 -1.16 0.00 0.00 60.37 59.31 1jiz h HIS 123 Cb 0.28 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1jiz h HIS 123 CO 0.02 1.01 0.45 0.77 0.86 0.00 0.00 177.93 181.03 1jiz h SER 124 N 0.08 0.00 0.43 2.45 0.02 -0.89 0.48 113.55 116.12 1jiz h SER 124 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1jiz h SER 124 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1jiz h SER 124 CO 0.08 0.00 -0.52 0.18 -1.14 0.00 0.00 176.83 175.44 1jiz n LEU 125 N -4.34 0.60 0.00 5.07 4.77 -0.58 -3.04 117.00 119.48 1jiz n LEU 125 Ca 0.12 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1jiz n LEU 125 Cb 0.69 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1jiz n LEU 125 CO 0.37 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1jiz n GLY 126 N 1.48 1.10 3.81 -0.72 0.00 0.16 -4.58 105.19 106.45 1jiz n GLY 126 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1jiz n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jiz s LEU 127 N 0.00 4.52 0.00 0.99 1.43 0.13 -1.69 118.68 124.06 1jiz s LEU 127 Ca 0.00 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 1jiz s LEU 127 Cb 0.00 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.32 1jiz s LEU 127 CO 0.00 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.46 1jiz n GLY 128 N 1.69 1.60 3.80 -3.19 0.00 0.20 -3.90 105.19 105.39 1jiz n GLY 128 Ca -0.10 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 1jiz n GLY 128 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jiz s HIS 129 N 1.97 3.78 0.19 1.61 0.09 -1.26 -4.56 115.29 117.12 1jiz s HIS 129 Ca 0.00 1.24 -0.06 0.00 -0.00 0.00 0.00 55.06 56.24 1jiz s HIS 129 Cb 0.00 -2.50 -0.06 0.00 -0.00 0.00 0.00 32.58 30.02 1jiz s HIS 129 CO 0.00 0.55 0.46 0.45 -0.00 0.00 0.00 174.74 176.20 1jiz s SER 130 N -0.95 6.53 0.11 1.40 0.15 -0.92 -3.48 113.70 116.54 1jiz s SER 130 Ca 0.29 0.71 0.24 0.00 0.70 0.00 0.00 55.95 57.89 1jiz s SER 130 Cb -0.19 -2.14 0.26 0.00 -1.71 0.00 0.00 66.02 62.24 1jiz s SER 130 CO 0.18 -0.03 1.24 0.77 1.20 0.00 0.00 173.24 176.60 1jiz h SER 131 N 2.55 0.00 -3.06 5.45 4.64 -0.95 -3.39 113.55 118.79 1jiz h SER 131 Ca -0.47 -0.24 -0.57 0.00 -0.47 0.00 0.00 61.79 60.05 1jiz h SER 131 Cb 1.17 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.21 1jiz h SER 131 CO 0.70 0.12 1.14 -0.62 -0.87 0.00 0.00 176.83 177.30 1jiz s ASP 132 N -4.23 6.18 0.43 4.97 -1.08 -1.26 -4.57 116.67 117.11 1jiz s ASP 132 Ca 0.05 0.92 0.28 0.00 -0.52 0.00 0.00 52.55 53.29 1jiz s ASP 132 Cb 0.13 -2.54 1.55 0.00 -1.46 0.00 0.00 42.92 40.61 1jiz s ASP 132 CO 0.74 -1.55 1.87 1.55 0.52 0.00 0.00 175.17 178.31 1jiz h PRO 133 N 11.43 0.00 -0.46 4.34 0.13 -1.99 -1.90 132.00 143.55 1jiz h PRO 133 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1jiz h PRO 133 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1jiz h PRO 133 CO 1.08 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 179.21 1jiz n LYS 134 N -2.51 2.54 -3.28 0.86 2.85 -1.26 -4.91 118.16 112.45 1jiz n LYS 134 Ca -0.02 -2.35 -0.33 0.00 -1.05 0.00 0.00 58.31 54.56 1jiz n LYS 134 Cb 0.06 -1.52 -0.06 0.00 -0.65 0.00 0.00 35.03 32.87 1jiz n LYS 134 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jiz s ALA 135 N -1.36 3.47 0.37 0.58 0.00 -0.71 -4.58 121.76 119.52 1jiz s ALA 135 Ca 0.40 -0.09 0.20 0.00 0.00 0.00 0.00 51.96 52.47 1jiz s ALA 135 Cb 0.23 -2.61 1.06 0.00 0.00 0.00 0.00 23.12 21.81 1jiz s ALA 135 CO 0.31 0.42 1.94 -0.24 0.00 0.00 0.00 175.76 178.19 1jiz h VAL 136 N 2.21 0.89 0.00 0.00 3.04 -1.91 -1.96 116.25 118.52 1jiz h VAL 136 Ca -0.48 -0.89 0.00 0.00 -1.01 0.00 0.00 66.70 64.32 1jiz h VAL 136 Cb 1.18 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 1jiz h VAL 136 CO 0.67 0.23 0.00 0.23 -1.01 0.00 0.00 177.57 177.69 1jiz n MET 137 N -3.85 0.90 -2.01 4.17 2.81 -1.26 -4.70 117.12 113.17 1jiz n MET 137 Ca -0.02 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.46 1jiz n MET 137 Cb 0.32 -1.34 -0.02 0.00 -0.71 0.00 0.00 33.22 31.48 1jiz n MET 137 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1jiz s PHE 138 N -2.00 2.94 -1.92 2.03 5.36 -0.74 -2.17 117.98 121.49 1jiz s PHE 138 Ca 0.29 1.22 0.02 0.00 -0.96 0.00 0.00 56.93 57.49 1jiz s PHE 138 Cb 0.13 -3.80 0.09 0.00 -0.34 0.00 0.00 43.02 39.10 1jiz s PHE 138 CO 0.22 -2.40 0.62 -2.30 -1.46 0.00 0.00 175.22 169.91 1jiz n PRO 139 N 1.31 0.05 -4.47 10.12 -0.02 -1.26 -4.70 135.00 136.02 1jiz n PRO 139 Ca 0.03 0.04 -0.34 0.00 -2.02 0.00 0.00 63.50 61.21 1jiz n PRO 139 Cb 0.41 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.27 1jiz n PRO 139 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jiz s THR 140 N -2.08 3.89 0.06 3.45 2.01 -1.26 -5.07 115.64 116.64 1jiz s THR 140 Ca 0.02 -0.38 -0.31 0.00 0.31 0.00 0.00 61.69 61.34 1jiz s THR 140 Cb 0.01 -2.66 -0.06 0.00 0.01 0.00 0.00 72.50 69.80 1jiz s THR 140 CO 0.02 0.54 1.18 -0.47 -0.69 0.00 0.00 174.62 175.20 1jiz s TYR 141 N -0.16 3.46 -0.24 4.92 5.04 -1.26 -5.00 117.35 124.11 1jiz s TYR 141 Ca 0.03 1.34 -0.03 0.00 -2.44 0.00 0.00 57.07 55.97 1jiz s TYR 141 Cb -0.13 -3.40 0.12 0.00 0.35 0.00 0.00 41.96 38.90 1jiz s TYR 141 CO 0.02 -1.17 0.30 0.21 -1.34 0.00 0.00 175.55 173.57 1jiz s LYS 142 N 1.01 0.28 0.43 4.97 2.47 -1.26 -5.14 119.74 122.50 1jiz s LYS 142 Ca 0.58 0.27 -0.25 0.00 -1.56 0.00 0.00 55.97 55.00 1jiz s LYS 142 Cb -0.29 -0.81 -0.08 0.00 -1.46 0.00 0.00 37.83 35.19 1jiz s LYS 142 CO 0.29 -0.73 1.37 -0.47 0.16 0.00 0.00 175.35 175.98 1jiz s TYR 143 N 2.42 2.61 -0.14 4.03 6.14 -1.26 -5.03 117.35 126.12 1jiz s TYR 143 Ca 0.10 1.33 -0.13 0.00 0.64 0.00 0.00 57.07 59.01 1jiz s TYR 143 Cb -0.15 -3.81 0.04 0.00 0.42 0.00 0.00 41.96 38.46 1jiz s TYR 143 CO -0.18 -2.56 0.38 0.14 0.64 0.00 0.00 175.55 173.97 1jiz s VAL 144 N -1.23 -0.00 0.26 3.14 -7.23 -1.26 -5.14 120.40 108.94 1jiz s VAL 144 Ca 0.59 0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 60.47 1jiz s VAL 144 Cb -0.41 -0.53 -0.10 0.00 0.56 0.00 0.00 36.38 35.90 1jiz s VAL 144 CO 0.53 0.00 1.39 -0.62 -0.31 0.00 0.00 175.10 176.09 1jiz s ASP 145 N 0.26 6.71 0.30 4.85 -1.08 -1.26 -4.80 116.67 121.65 1jiz s ASP 145 Ca -0.01 2.64 0.05 0.00 -0.52 0.00 0.00 52.55 54.72 1jiz s ASP 145 Cb -0.03 -2.63 0.78 0.00 -1.46 0.00 0.00 42.92 39.58 1jiz s ASP 145 CO -0.00 -0.65 1.70 -0.29 0.52 0.00 0.00 175.17 176.45 1jiz h ILE 146 N 3.46 0.48 -0.94 4.11 2.10 -1.95 0.48 117.51 125.25 1jiz h ILE 146 Ca -0.46 -0.15 0.04 0.00 1.08 0.00 0.00 64.86 65.37 1jiz h ILE 146 Cb 1.22 0.01 -0.06 0.00 -1.09 0.00 0.00 36.82 36.90 1jiz h ILE 146 CO 0.75 0.08 0.61 -1.13 -1.08 0.00 0.00 178.15 177.37 1jiz h ASN 147 N 0.43 1.00 0.92 2.19 -0.00 -2.02 -2.97 115.58 115.14 1jiz h ASN 147 Ca 0.58 -0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 56.70 1jiz h ASN 147 Cb 1.12 -0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 39.19 1jiz h ASN 147 CO -0.52 0.67 -1.16 0.71 -0.00 0.00 0.00 177.43 177.14 1jiz h THR 148 N 1.16 0.89 -3.48 -3.57 1.35 -1.36 -3.47 112.91 104.42 1jiz h THR 148 Ca 0.38 -2.45 -0.55 0.00 -0.55 0.00 0.00 66.41 63.24 1jiz h THR 148 Cb 0.04 2.36 0.19 0.00 -1.73 0.00 0.00 68.15 69.01 1jiz h THR 148 CO -0.13 0.50 -0.25 0.33 -0.25 0.00 0.00 175.52 175.72 1jiz n PHE 149 N -3.09 -0.40 -3.65 4.73 7.35 -0.13 -5.01 117.46 117.26 1jiz n PHE 149 Ca -0.06 0.34 -0.02 0.00 -0.76 0.00 0.00 57.45 56.96 1jiz n PHE 149 Cb 0.87 -1.94 -0.07 0.00 0.35 0.00 0.00 39.48 38.69 1jiz n PHE 149 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1jiz s ARG 150 N -3.22 0.03 0.29 -4.13 1.70 -1.26 -5.02 118.95 107.34 1jiz s ARG 150 Ca 0.66 0.03 -0.29 0.00 -0.47 0.00 0.00 55.73 55.67 1jiz s ARG 150 Cb -0.31 0.01 -0.13 0.00 -0.57 0.00 0.00 34.95 33.95 1jiz s ARG 150 CO 0.58 -0.00 1.20 1.28 -1.08 0.00 0.00 175.30 177.27 1jiz n LEU 151 N 1.80 2.68 -4.85 -1.89 4.77 -1.26 -4.98 117.00 113.27 1jiz n LEU 151 Ca -0.11 1.18 -0.31 0.00 -0.03 0.00 0.00 56.01 56.74 1jiz n LEU 151 Cb 0.57 -1.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.31 1jiz n LEU 151 CO 0.02 -0.88 0.72 -0.94 -1.33 0.00 0.00 177.39 174.98 1jiz s SER 152 N -0.26 5.74 0.42 -1.43 1.04 -1.26 -4.87 113.70 113.07 1jiz s SER 152 Ca 0.60 1.47 0.12 0.00 0.48 0.00 0.00 55.95 58.62 1jiz s SER 152 Cb -0.65 -2.41 0.97 0.00 0.10 0.00 0.00 66.02 64.03 1jiz s SER 152 CO 0.58 -1.19 1.99 0.00 0.98 0.00 0.00 173.24 175.59 1jiz h ALA 153 N -0.55 1.93 -0.04 5.32 0.00 -1.93 -1.99 119.26 122.00 1jiz h ALA 153 Ca -0.44 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1jiz h ALA 153 Cb 1.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1jiz h ALA 153 CO 0.60 -0.05 0.02 0.22 0.00 0.00 0.00 179.25 180.04 1jiz h ASP 154 N 0.47 0.05 0.22 0.00 1.82 -1.96 -0.51 116.42 116.52 1jiz h ASP 154 Ca 0.26 -0.16 -0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1jiz h ASP 154 Cb 0.43 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 1jiz h ASP 154 CO -0.08 0.20 -0.18 0.44 -1.61 0.00 0.00 179.24 178.02 1jiz h ASP 155 N -0.10 -0.48 -0.22 2.28 3.32 -1.75 0.23 116.42 119.71 1jiz h ASP 155 Ca 0.01 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.15 1jiz h ASP 155 Cb 0.17 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 1jiz h ASP 155 CO -0.00 -0.28 -0.08 0.40 -1.72 0.00 0.00 179.24 177.55 1jiz h ILE 156 N -0.42 0.71 -0.91 0.35 2.04 -1.41 0.27 117.51 118.15 1jiz h ILE 156 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1jiz h ILE 156 Cb 0.38 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1jiz h ILE 156 CO -0.02 0.00 0.60 -0.09 0.00 0.00 0.00 178.15 178.64 1jiz h ARG 157 N -0.05 1.11 -0.15 2.37 2.43 -0.87 -1.07 114.38 118.15 1jiz h ARG 157 Ca 0.11 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 1jiz h ARG 157 Cb 0.22 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1jiz h ARG 157 CO -0.25 0.73 -0.40 0.78 -1.51 0.00 0.00 179.97 179.32 1jiz h GLY 158 N 1.14 0.59 1.50 2.80 0.00 0.61 -2.63 103.07 107.09 1jiz h GLY 158 Ca 0.36 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1jiz h GLY 158 CO -0.11 0.66 -0.26 1.19 0.00 0.00 0.00 176.54 178.02 1jiz h ILE 159 N 0.16 1.27 0.00 2.60 6.09 -0.29 -2.70 117.51 124.65 1jiz h ILE 159 Ca -0.01 -1.32 0.00 0.00 -1.37 0.00 0.00 64.86 62.16 1jiz h ILE 159 Cb 1.01 1.33 0.00 0.00 0.47 0.00 0.00 36.82 39.64 1jiz h ILE 159 CO 0.09 0.43 0.00 1.56 -3.07 0.00 0.00 178.15 177.15 1jiz h GLN 160 N 0.50 0.00 0.00 2.19 4.20 -1.25 -2.07 115.11 118.68 1jiz h GLN 160 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1jiz h GLN 160 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1jiz h GLN 160 CO 0.05 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.08 1jiz n SER 161 N -2.50 0.00 -0.05 1.46 3.41 -0.99 0.16 113.62 115.10 1jiz n SER 161 Ca 0.04 0.18 -0.06 0.00 -0.26 0.00 0.00 58.87 58.77 1jiz n SER 161 Cb 0.41 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.92 1jiz n SER 161 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jiz n LEU 162 N -1.37 1.28 0.00 1.04 4.77 -0.96 -4.80 117.00 116.96 1jiz n LEU 162 Ca 0.09 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1jiz n LEU 162 Cb 0.22 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1jiz n LEU 162 CO 0.19 0.43 -0.10 -1.22 -1.33 0.00 0.00 177.39 175.37 1jiz n TYR 163 N -2.56 0.00 -4.96 -1.77 4.01 -0.82 -5.02 117.16 106.04 1jiz n TYR 163 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1jiz n TYR 163 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.80 1jiz n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jiz n GLY 164 N 0.94 1.03 0.00 2.72 0.00 0.42 -4.59 105.19 105.71 1jiz n GLY 164 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1jiz n GLY 164 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66