#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1igz n VAL 33 N 0.00 0.19 -1.56 -1.45 0.24 -1.26 -4.84 118.33 109.64 1igz n VAL 33 Ca 0.00 -0.03 -0.38 0.00 -2.04 0.00 0.00 64.34 61.88 1igz n VAL 33 Cb 0.00 -1.38 -0.03 0.00 -1.47 0.00 0.00 33.84 30.96 1igz n VAL 33 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1igz n ASN 34 N 4.27 2.60 -0.31 -1.34 5.15 -1.26 -4.84 115.26 119.53 1igz n ASN 34 Ca 0.20 -0.30 0.15 0.00 -0.60 0.00 0.00 54.58 54.04 1igz n ASN 34 Cb 0.24 -1.58 0.33 0.00 -0.53 0.00 0.00 39.78 38.24 1igz n ASN 34 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1igz h PRO 35 N 18.28 0.24 0.00 1.20 0.13 -1.88 0.49 132.00 150.46 1igz h PRO 35 Ca -0.29 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1igz h PRO 35 Cb 1.26 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1igz h PRO 35 CO 1.10 0.16 0.00 0.00 -0.23 0.00 0.00 178.00 179.03 1igz n TYR 38 N -2.93 0.07 -3.10 0.00 4.02 -0.05 -3.87 117.16 111.30 1igz n TYR 38 Ca 0.02 0.02 -0.14 0.00 -0.01 0.00 0.00 57.90 57.79 1igz n TYR 38 Cb 0.34 -0.21 0.06 0.00 -0.02 0.00 0.00 39.34 39.52 1igz n TYR 38 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1igz n TYR 39 N -1.68 -2.27 0.18 -0.72 4.01 -1.01 -4.91 117.16 110.75 1igz n TYR 39 Ca 0.03 0.79 0.02 0.00 -0.16 0.00 0.00 57.90 58.58 1igz n TYR 39 Cb 0.38 -4.00 0.33 0.00 -0.31 0.00 0.00 39.34 35.74 1igz n TYR 39 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1igz h PRO 40 N -0.98 0.00 -6.78 -0.72 0.13 -1.84 -3.44 132.00 118.37 1igz h PRO 40 Ca -0.56 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.07 1igz h PRO 40 Cb 1.28 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.43 1igz h PRO 40 CO 0.40 0.41 0.49 0.00 -0.23 0.00 0.00 178.00 179.07 1igz s GLN 42 N -1.26 1.81 -1.45 0.00 -1.52 0.91 -4.69 119.66 113.45 1igz s GLN 42 Ca 0.46 -1.64 -0.09 0.00 -1.95 0.00 0.00 55.36 52.13 1igz s GLN 42 Cb -0.32 -1.88 0.04 0.00 -0.22 0.00 0.00 33.01 30.62 1igz s GLN 42 CO 0.41 0.35 0.93 0.72 -0.25 0.00 0.00 175.29 177.45 1igz n HIS 43 N -0.53 -2.42 -1.89 0.91 8.25 -1.26 -2.45 115.22 115.83 1igz n HIS 43 Ca -0.07 0.82 -0.03 0.00 -0.26 0.00 0.00 57.72 58.19 1igz n HIS 43 Cb 0.59 -4.44 -0.00 0.00 1.12 0.00 0.00 29.99 27.26 1igz n HIS 43 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1igz n GLN 44 N -4.58 -0.22 -2.88 -0.41 6.02 -1.26 -4.81 117.38 109.24 1igz n GLN 44 Ca -0.01 0.21 -0.40 0.00 -0.01 0.00 0.00 57.00 56.79 1igz n GLN 44 Cb 0.56 -3.86 -0.05 0.00 1.02 0.00 0.00 30.24 27.91 1igz n GLN 44 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1igz s GLY 45 N -2.89 2.88 -0.16 1.08 0.00 -1.03 -4.96 107.32 102.25 1igz s GLY 45 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 44.72 44.83 1igz s GLY 45 CO 0.00 1.22 1.15 -0.42 0.00 0.00 0.00 173.10 175.06 1igz s ILE 46 N -0.09 4.46 -0.00 0.90 1.09 -1.12 -4.66 121.20 121.78 1igz s ILE 46 Ca 0.42 1.76 -0.28 0.00 -1.10 0.00 0.00 60.65 61.45 1igz s ILE 46 Cb -0.22 -4.14 -0.04 0.00 -1.06 0.00 0.00 42.46 37.01 1igz s ILE 46 CO 0.26 -0.11 0.88 0.00 -0.10 0.00 0.00 174.94 175.87 1igz s VAL 48 N 0.76 -0.20 0.17 0.00 1.01 -0.17 -4.97 120.40 116.99 1igz s VAL 48 Ca 0.46 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 1igz s VAL 48 Cb -0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 36.38 35.77 1igz s VAL 48 CO 0.25 0.11 1.33 -0.13 0.00 0.00 0.00 175.10 176.67 1igz s ARG 49 N 1.87 4.36 -0.04 2.72 0.52 -1.26 -0.61 118.95 126.52 1igz s ARG 49 Ca -0.02 2.06 0.04 0.00 -0.52 0.00 0.00 55.73 57.28 1igz s ARG 49 Cb -0.12 -3.21 -0.00 0.00 0.52 0.00 0.00 34.95 32.14 1igz s ARG 49 CO -0.07 -0.32 -0.15 -0.06 0.02 0.00 0.00 175.30 174.73 1igz s PHE 50 N 0.46 1.48 0.00 -0.53 0.08 -0.78 -4.93 117.98 113.77 1igz s PHE 50 Ca 0.59 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 57.23 1igz s PHE 50 Cb -0.36 -1.01 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 1igz s PHE 50 CO 0.35 -0.14 0.00 0.41 -0.10 0.00 0.00 175.22 175.74 1igz n GLY 51 N 3.18 0.60 0.10 4.36 0.00 -1.26 -2.28 105.19 109.89 1igz n GLY 51 Ca -0.18 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 1igz n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1igz n LEU 52 N 0.00 0.75 0.00 0.99 4.77 -1.26 -4.71 117.00 117.54 1igz n LEU 52 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1igz n LEU 52 Cb 0.00 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1igz n LEU 52 CO 0.00 0.50 0.20 -0.90 -1.33 0.00 0.00 177.39 175.86 1igz n ASP 53 N -2.96 0.64 -4.97 -1.43 3.85 -1.26 -5.00 116.55 105.43 1igz n ASP 53 Ca -0.27 -1.14 -0.22 0.00 -0.71 0.00 0.00 54.79 52.45 1igz n ASP 53 Cb 1.09 0.00 0.02 0.00 -1.35 0.00 0.00 41.12 40.89 1igz n ASP 53 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1igz s ARG 54 N -0.14 2.32 0.26 0.11 0.52 -0.97 -4.79 118.95 116.26 1igz s ARG 54 Ca 0.00 -1.78 -0.14 0.00 -0.52 0.00 0.00 55.73 53.28 1igz s ARG 54 Cb 0.00 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 33.08 1igz s ARG 54 CO 0.00 -0.69 0.54 1.52 0.02 0.00 0.00 175.30 176.69 1igz s TYR 55 N -2.69 0.26 -0.09 -0.53 -0.85 -1.26 -1.86 117.35 110.33 1igz s TYR 55 Ca 0.49 -0.65 -0.17 0.00 -0.52 0.00 0.00 57.07 56.23 1igz s TYR 55 Cb -0.04 0.31 0.04 0.00 0.38 0.00 0.00 41.96 42.65 1igz s TYR 55 CO 0.30 -1.07 0.40 -0.65 -1.52 0.00 0.00 175.55 173.02 1igz s GLN 56 N -3.92 0.63 -0.09 -3.49 -0.21 0.22 -4.82 119.66 107.97 1igz s GLN 56 Ca 0.20 0.22 -0.04 0.00 0.02 0.00 0.00 55.36 55.76 1igz s GLN 56 Cb -0.02 0.29 -0.04 0.00 1.00 0.00 0.00 33.01 34.25 1igz s GLN 56 CO 0.09 -0.14 0.09 0.00 -2.12 0.00 0.00 175.29 173.21 1igz s ASP 58 N -1.10 6.33 0.00 0.00 2.15 -0.24 -4.88 116.67 118.93 1igz s ASP 58 Ca 0.16 -2.82 0.10 0.00 0.43 0.00 0.00 52.55 50.42 1igz s ASP 58 Cb -0.12 -2.10 0.60 0.00 -0.30 0.00 0.00 42.92 41.01 1igz s ASP 58 CO 0.05 -0.49 1.35 0.00 -0.17 0.00 0.00 175.17 175.91 1igz n THR 60 N -0.67 0.99 -2.38 0.00 -1.04 -1.26 -1.34 114.28 108.58 1igz n THR 60 Ca 0.08 -0.25 -0.03 0.00 -2.04 0.00 0.00 64.05 61.81 1igz n THR 60 Cb 0.03 -0.13 -0.00 0.00 -1.82 0.00 0.00 70.33 68.41 1igz n THR 60 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1igz n ARG 61 N 1.32 -2.69 0.00 -2.82 1.74 -1.26 -4.75 116.66 108.20 1igz n ARG 61 Ca 0.18 0.14 0.11 0.00 -0.77 0.00 0.00 57.85 57.52 1igz n ARG 61 Cb 0.18 -4.63 0.09 0.00 -1.02 0.00 0.00 32.46 27.08 1igz n ARG 61 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1igz n THR 62 N -2.59 0.00 -0.18 0.55 -2.24 -0.45 -4.93 114.28 104.43 1igz n THR 62 Ca -0.03 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1igz n THR 62 Cb 0.49 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1igz n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1igz n GLY 63 N 1.41 1.77 3.56 3.38 0.00 -1.26 -4.98 105.19 109.07 1igz n GLY 63 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1igz n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1igz s TYR 64 N -2.88 2.19 0.28 1.61 1.51 -1.26 -1.52 117.35 117.28 1igz s TYR 64 Ca 0.00 -0.85 -0.01 0.00 -1.01 0.00 0.00 57.07 55.20 1igz s TYR 64 Cb 0.00 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 1igz s TYR 64 CO 0.00 0.20 0.33 -1.54 -1.11 0.00 0.00 175.55 173.43 1igz s SER 65 N -3.63 0.74 0.00 2.29 1.04 -0.59 -4.77 113.70 108.78 1igz s SER 65 Ca 0.32 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1igz s SER 65 Cb 0.08 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1igz s SER 65 CO 0.15 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1igz n GLY 66 N -0.47 2.36 0.33 7.32 0.00 -1.26 -1.22 105.19 112.24 1igz n GLY 66 Ca 0.03 -1.97 0.28 0.00 0.00 0.00 0.00 46.02 44.35 1igz n GLY 66 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1igz h PRO 67 N 0.00 0.04 0.00 1.61 0.11 -2.01 -2.10 132.00 129.65 1igz h PRO 67 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1igz h PRO 67 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1igz h PRO 67 CO 0.00 0.02 -0.16 0.09 -0.21 0.00 0.00 178.00 177.74 1igz n ASN 68 N -5.28 1.58 -2.86 -2.05 3.02 -1.26 -4.01 115.26 104.40 1igz n ASN 68 Ca 0.34 -2.71 -0.11 0.00 -0.03 0.00 0.00 54.58 52.07 1igz n ASN 68 Cb 1.15 -0.35 0.05 0.00 -0.61 0.00 0.00 39.78 40.03 1igz n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1igz n THR 70 N -2.80 0.01 -3.77 0.00 -2.24 -0.99 -4.42 114.28 100.08 1igz n THR 70 Ca -0.05 -0.44 -0.36 0.00 -2.27 0.00 0.00 64.05 60.93 1igz n THR 70 Cb 0.59 1.13 -0.11 0.00 -2.10 0.00 0.00 70.33 69.84 1igz n THR 70 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1igz s ILE 71 N -0.01 3.32 0.13 2.28 1.01 -0.35 -4.96 121.20 122.62 1igz s ILE 71 Ca 0.00 -2.08 -0.33 0.00 0.00 0.00 0.00 60.65 58.24 1igz s ILE 71 Cb 0.00 -3.27 -0.12 0.00 0.01 0.00 0.00 42.46 39.08 1igz s ILE 71 CO 0.00 -0.70 1.74 -0.81 0.00 0.00 0.00 174.94 175.17 1igz n PRO 72 N 4.57 2.54 -1.02 2.79 -0.04 -1.26 -1.54 135.00 141.02 1igz n PRO 72 Ca -0.02 0.92 -0.31 0.00 -0.04 0.00 0.00 63.50 64.05 1igz n PRO 72 Cb 0.41 -2.76 0.13 0.00 -0.04 0.00 0.00 33.50 31.24 1igz n PRO 72 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1igz s GLU 73 N 1.95 1.62 0.31 0.54 2.02 -0.57 -4.61 118.70 119.95 1igz s GLU 73 Ca 0.80 1.27 0.02 0.00 0.02 0.00 0.00 54.97 57.09 1igz s GLU 73 Cb -0.57 -1.82 0.76 0.00 0.10 0.00 0.00 34.13 32.61 1igz s GLU 73 CO 0.38 -2.12 1.57 0.97 0.02 0.00 0.00 175.26 176.07 1igz h ILE 74 N -1.49 0.02 0.19 -1.63 -0.00 -1.94 -1.12 117.51 111.54 1igz h ILE 74 Ca -0.44 -0.00 -0.32 0.00 -0.00 0.00 0.00 64.86 64.10 1igz h ILE 74 Cb 1.25 0.01 0.03 0.00 -0.00 0.00 0.00 36.82 38.11 1igz h ILE 74 CO 0.48 0.00 -1.36 -0.50 -0.00 0.00 0.00 178.15 176.77 1igz h TRP 75 N 0.01 1.01 -0.68 2.19 4.06 -1.95 -2.95 115.95 117.63 1igz h TRP 75 Ca 0.60 -0.68 0.11 0.00 2.06 0.00 0.00 58.89 60.98 1igz h TRP 75 Cb 1.24 -0.06 -0.08 0.00 -1.00 0.00 0.00 29.16 29.26 1igz h TRP 75 CO -0.50 1.52 0.27 1.15 -3.56 0.00 0.00 178.44 177.33 1igz h THR 76 N 0.20 0.73 -0.24 1.49 2.02 -1.59 1.14 112.91 116.66 1igz h THR 76 Ca -0.22 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 66.84 1igz h THR 76 Cb 2.05 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.66 1igz h THR 76 CO 0.26 0.08 -0.01 -0.25 0.37 0.00 0.00 175.52 175.97 1igz h TRP 77 N 0.45 -0.03 0.23 3.16 7.01 -1.28 0.96 115.95 126.45 1igz h TRP 77 Ca 0.35 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.37 1igz h TRP 77 Cb 0.47 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 1igz h TRP 77 CO -0.16 -0.05 -0.22 -0.07 -2.79 0.00 0.00 178.44 175.16 1igz h LEU 78 N 0.06 -0.57 -0.10 0.65 3.38 -0.63 -1.90 115.31 116.21 1igz h LEU 78 Ca 0.11 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1igz h LEU 78 Cb 0.15 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 1igz h LEU 78 CO -0.20 -0.32 -0.51 0.03 0.09 0.00 0.00 178.44 177.52 1igz h ARG 79 N -0.47 -0.55 0.00 1.13 3.08 0.23 -1.24 114.38 116.56 1igz h ARG 79 Ca -0.01 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1igz h ARG 79 Cb 0.43 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1igz h ARG 79 CO -0.04 -0.37 0.00 1.79 -1.07 0.00 0.00 179.97 180.28 1igz h THR 80 N -0.57 0.00 0.10 2.04 1.35 1.00 -0.25 112.91 116.58 1igz h THR 80 Ca 0.03 -0.12 -0.34 0.00 -0.55 0.00 0.00 66.41 65.43 1igz h THR 80 Cb 0.66 0.78 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 1igz h THR 80 CO -0.40 0.00 -1.85 0.71 -0.25 0.00 0.00 175.52 173.73 1igz h THR 81 N 0.00 0.77 0.00 6.82 1.35 -0.57 -3.36 112.91 117.91 1igz h THR 81 Ca 0.00 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 1igz h THR 81 Cb 0.16 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1igz h THR 81 CO 0.00 0.80 -0.37 -0.07 -0.25 0.00 0.00 175.52 175.63 1igz h LEU 82 N 0.06 0.00 -9.07 3.87 3.38 -0.90 -3.46 115.31 109.19 1igz h LEU 82 Ca -0.36 -0.12 -0.56 0.00 0.09 0.00 0.00 57.88 56.92 1igz h LEU 82 Cb 2.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.75 1igz h LEU 82 CO 0.11 0.06 1.01 -0.13 0.09 0.00 0.00 178.44 179.58 1igz s ARG 83 N -3.14 4.01 0.86 1.13 0.52 -0.13 -5.01 118.95 117.18 1igz s ARG 83 Ca 0.08 1.61 -0.11 0.00 -0.52 0.00 0.00 55.73 56.78 1igz s ARG 83 Cb 0.13 -3.90 0.11 0.00 0.52 0.00 0.00 34.95 31.80 1igz s ARG 83 CO 0.67 -1.01 1.09 -1.25 0.02 0.00 0.00 175.30 174.82 1igz s PRO 84 N 4.09 1.59 0.54 3.54 0.04 -1.26 -4.99 135.00 138.55 1igz s PRO 84 Ca 0.62 0.83 -0.19 0.00 0.04 0.00 0.00 61.00 62.30 1igz s PRO 84 Cb -0.23 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1igz s PRO 84 CO 0.23 -2.02 1.08 -1.54 0.04 0.00 0.00 177.00 174.80 1igz s SER 85 N -3.52 5.91 0.30 6.66 1.04 -1.26 -4.91 113.70 117.92 1igz s SER 85 Ca 0.62 2.01 -0.01 0.00 0.48 0.00 0.00 55.95 59.05 1igz s SER 85 Cb -0.17 -2.56 0.46 0.00 0.10 0.00 0.00 66.02 63.85 1igz s SER 85 CO 0.56 -1.08 1.96 -0.65 0.98 0.00 0.00 173.24 175.01 1igz h PRO 86 N 1.11 1.03 -0.96 4.02 0.11 -1.95 -1.14 132.00 134.23 1igz h PRO 86 Ca -0.49 -0.07 0.12 0.00 0.11 0.00 0.00 66.00 65.66 1igz h PRO 86 Cb 1.24 -0.23 -0.08 0.00 0.11 0.00 0.00 31.00 32.04 1igz h PRO 86 CO 0.57 0.70 0.61 0.77 -0.21 0.00 0.00 178.00 180.45 1igz h SER 87 N 1.06 0.86 -0.01 -2.05 0.02 -1.99 -0.80 113.55 110.64 1igz h SER 87 Ca 0.28 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1igz h SER 87 Cb -0.09 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 1igz h SER 87 CO -0.06 0.46 -0.01 0.15 -1.14 0.00 0.00 176.83 176.24 1igz h PHE 88 N 0.92 0.03 -0.07 3.45 3.04 -1.60 -2.77 116.94 119.94 1igz h PHE 88 Ca 0.47 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.44 1igz h PHE 88 Cb 0.51 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.97 1igz h PHE 88 CO -0.00 0.51 -0.16 0.82 -2.02 0.00 0.00 178.31 177.46 1igz h ILE 89 N -0.47 0.60 -0.60 1.41 1.08 -0.98 0.23 117.51 118.78 1igz h ILE 89 Ca 0.00 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.65 1igz h ILE 89 Cb 0.51 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.83 1igz h ILE 89 CO 0.00 0.00 0.51 -0.74 -0.69 0.00 0.00 178.15 177.23 1igz h HIS 90 N -0.23 0.00 0.49 1.37 2.76 -1.20 0.21 115.15 118.55 1igz h HIS 90 Ca 0.07 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1igz h HIS 90 Cb 0.33 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1igz h HIS 90 CO -0.24 0.00 -0.23 0.35 -1.30 0.00 0.00 177.93 176.51 1igz h PHE 91 N 0.00 -0.61 -0.39 5.26 3.57 -0.29 -2.64 116.94 121.84 1igz h PHE 91 Ca 0.29 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.85 1igz h PHE 91 Cb 1.30 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 40.17 1igz h PHE 91 CO 0.00 -0.37 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.56 1igz h LEU 92 N -1.17 -0.34 -2.54 0.59 4.07 -0.24 0.98 115.31 116.67 1igz h LEU 92 Ca -0.07 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1igz h LEU 92 Cb 0.51 0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1igz h LEU 92 CO 0.11 -0.12 0.11 -0.07 -1.08 0.00 0.00 178.44 177.39 1igz h LEU 93 N 0.01 0.00 -3.05 1.67 3.38 -1.07 -2.27 115.31 113.97 1igz h LEU 93 Ca 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1igz h LEU 93 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1igz h LEU 93 CO -0.39 0.00 -0.38 0.35 0.09 0.00 0.00 178.44 178.11 1igz n THR 94 N -2.94 2.23 0.00 0.22 -2.24 0.30 -1.26 114.28 110.59 1igz n THR 94 Ca -0.03 -3.06 0.00 0.00 -2.27 0.00 0.00 64.05 58.70 1igz n THR 94 Cb 0.17 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1igz n THR 94 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1igz n HIS 95 N -1.15 -0.11 -0.63 4.78 8.25 -0.86 -4.97 115.22 120.54 1igz n HIS 95 Ca 0.21 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.54 1igz n HIS 95 Cb 0.74 0.13 -0.06 0.00 1.12 0.00 0.00 29.99 31.92 1igz n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1igz n GLY 96 N 1.00 2.53 0.05 -1.41 0.00 -1.22 -4.75 105.19 101.39 1igz n GLY 96 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1igz n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1igz n ARG 97 N 3.37 0.00 0.02 1.61 -4.01 -1.26 -0.88 116.66 115.51 1igz n ARG 97 Ca 0.32 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.13 1igz n ARG 97 Cb 0.34 -0.97 0.00 0.00 -3.04 0.00 0.00 32.46 28.79 1igz n ARG 97 CO 0.00 0.00 0.00 0.91 -3.04 0.00 0.00 177.63 175.50 1igz n TRP 98 N -0.18 -0.21 0.11 2.89 8.01 -1.26 -4.49 117.44 122.30 1igz n TRP 98 Ca 0.00 0.04 0.11 0.00 -1.31 0.00 0.00 57.50 56.34 1igz n TRP 98 Cb 0.00 0.14 0.61 0.00 -2.01 0.00 0.00 31.31 30.04 1igz n TRP 98 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 1igz h LEU 99 N 0.00 0.11 -0.13 -0.99 6.46 -1.54 -2.29 115.31 116.92 1igz h LEU 99 Ca 0.00 -0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.52 1igz h LEU 99 Cb 0.51 -0.02 0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1igz h LEU 99 CO 0.00 0.08 -0.88 -0.50 -0.62 0.00 0.00 178.44 176.52 1igz h TRP 100 N 0.13 0.97 -0.31 1.25 -0.00 -1.29 0.13 115.95 116.84 1igz h TRP 100 Ca 0.12 -0.47 -0.04 0.00 -0.00 0.00 0.00 58.89 58.51 1igz h TRP 100 Cb 0.33 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.34 1igz h TRP 100 CO -0.00 1.30 0.04 -0.44 -0.00 0.00 0.00 178.44 179.34 1igz h ASP 101 N 0.44 0.43 0.30 -3.49 3.45 -1.66 0.64 116.42 116.54 1igz h ASP 101 Ca -0.08 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.30 1igz h ASP 101 Cb 1.51 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 40.17 1igz h ASP 101 CO 0.17 0.47 -0.15 0.15 -1.57 0.00 0.00 179.24 178.31 1igz h PHE 102 N 0.45 -0.38 -0.91 4.55 -0.00 -1.29 -2.12 116.94 117.25 1igz h PHE 102 Ca 0.10 -0.01 0.12 0.00 -0.00 0.00 0.00 57.97 58.19 1igz h PHE 102 Cb 0.24 0.13 -0.08 0.00 -0.00 0.00 0.00 35.95 36.23 1igz h PHE 102 CO 0.01 -0.03 0.53 0.28 -0.00 0.00 0.00 178.31 179.10 1igz h VAL 103 N -0.87 0.86 -0.71 1.41 2.07 -0.39 -1.47 116.25 117.15 1igz h VAL 103 Ca -0.04 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1igz h VAL 103 Cb 0.52 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 1igz h VAL 103 CO 0.07 0.15 0.47 0.78 0.02 0.00 0.00 177.57 179.06 1igz h ASN 104 N 0.83 0.75 0.04 0.57 2.35 0.35 -2.31 115.58 118.17 1igz h ASN 104 Ca 0.46 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 1igz h ASN 104 Cb 0.51 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1igz h ASN 104 CO -0.29 0.52 -0.01 0.00 -1.65 0.00 0.00 177.43 176.01 1igz n ALA 105 N -2.44 2.66 -2.61 -0.83 0.00 -0.57 -4.81 120.51 111.91 1igz n ALA 105 Ca 0.09 -0.27 -0.28 0.00 0.00 0.00 0.00 53.44 52.97 1igz n ALA 105 Cb 0.10 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.07 1igz n ALA 105 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1igz s THR 106 N -2.06 0.89 0.57 0.00 -4.23 -0.87 -5.02 115.64 104.92 1igz s THR 106 Ca 0.43 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.20 1igz s THR 106 Cb 0.22 -2.31 0.33 0.00 1.34 0.00 0.00 72.50 72.07 1igz s THR 106 CO 0.37 0.00 2.22 2.19 -0.54 0.00 0.00 174.62 178.86 1igz h PHE 107 N 1.62 0.00 0.00 3.99 -5.15 -1.90 -1.98 116.94 113.52 1igz h PHE 107 Ca -0.39 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.38 1igz h PHE 107 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.46 1igz h PHE 107 CO 1.46 0.00 0.46 0.82 -2.00 0.00 0.00 178.31 179.06 1igz h ILE 108 N 0.00 0.00 0.24 0.88 2.04 -1.94 0.71 117.51 119.44 1igz h ILE 108 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1igz h ILE 108 Cb 0.01 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1igz h ILE 108 CO 0.00 0.00 -0.11 -0.09 0.00 0.00 0.00 178.15 177.95 1igz h ARG 109 N 0.00 -0.31 0.00 2.37 2.43 -1.31 -2.74 114.38 114.82 1igz h ARG 109 Ca 0.00 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1igz h ARG 109 Cb 0.93 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1igz h ARG 109 CO 0.00 0.01 -0.19 -0.44 -1.51 0.00 0.00 179.97 177.84 1igz h ASP 110 N -0.97 0.00 0.12 -3.80 3.32 -1.10 0.54 116.42 114.53 1igz h ASP 110 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1igz h ASP 110 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1igz h ASP 110 CO 0.05 0.19 -0.06 0.74 -1.72 0.00 0.00 179.24 178.45 1igz h THR 111 N 0.00 0.93 0.23 0.35 2.02 -1.44 0.29 112.91 115.29 1igz h THR 111 Ca -0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1igz h THR 111 Cb 0.34 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1igz h THR 111 CO 0.02 0.04 -0.11 -0.07 0.37 0.00 0.00 175.52 175.78 1igz h LEU 112 N -0.24 -0.26 -0.47 2.58 3.38 -1.08 0.29 115.31 119.50 1igz h LEU 112 Ca -0.02 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1igz h LEU 112 Cb 0.19 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 1igz h LEU 112 CO 0.03 -0.06 -0.32 -0.03 0.09 0.00 0.00 178.44 178.15 1igz h MET 113 N -0.45 -0.20 -0.84 1.13 4.05 -0.78 2.16 114.93 120.01 1igz h MET 113 Ca -0.03 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.46 1igz h MET 113 Cb 0.34 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.13 1igz h MET 113 CO 0.05 -0.13 0.55 -0.09 0.23 0.00 0.00 176.91 177.52 1igz h ARG 114 N -0.21 0.93 0.20 0.39 2.43 -0.26 0.13 114.38 118.00 1igz h ARG 114 Ca 0.20 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1igz h ARG 114 Cb 0.54 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1igz h ARG 114 CO -0.59 0.61 -0.10 1.25 -1.51 0.00 0.00 179.97 179.64 1igz h LEU 115 N 0.96 -0.23 -0.67 3.80 5.85 0.20 -2.84 115.31 122.38 1igz h LEU 115 Ca 0.35 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1igz h LEU 115 Cb 0.16 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.14 1igz h LEU 115 CO -0.12 0.16 -0.45 0.58 -0.34 0.00 0.00 178.44 178.27 1igz h VAL 116 N -0.66 0.06 0.00 1.05 2.07 0.42 -2.38 116.25 116.81 1igz h VAL 116 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1igz h VAL 116 Cb 0.47 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1igz h VAL 116 CO 0.05 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.82 1igz n LEU 117 N -5.39 0.00 0.00 2.57 4.77 0.37 -2.10 117.00 117.22 1igz n LEU 117 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1igz n LEU 117 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1igz n LEU 117 CO -0.04 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.37 1igz n THR 118 N 0.00 0.00 -0.03 -5.08 -2.24 -1.07 0.73 114.28 106.59 1igz n THR 118 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1igz n THR 118 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1igz n THR 118 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1igz h VAL 119 N 0.00 1.21 -0.07 2.28 2.07 -1.51 -1.49 116.25 118.74 1igz h VAL 119 Ca 0.00 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1igz h VAL 119 Cb 0.00 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1igz h VAL 119 CO 0.00 0.19 0.04 0.03 0.02 0.00 0.00 177.57 177.84 1igz h ARG 120 N -0.04 0.09 0.00 1.57 -0.00 0.86 -3.05 114.38 113.82 1igz h ARG 120 Ca 0.03 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.50 1igz h ARG 120 Cb 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.22 1igz h ARG 120 CO 0.00 0.13 -0.02 0.77 0.00 0.00 0.00 179.97 180.85 1igz h SER 121 N 0.03 0.00 0.58 7.04 0.02 -1.45 -2.77 113.55 117.00 1igz h SER 121 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1igz h SER 121 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1igz h SER 121 CO -0.00 0.02 0.00 -1.13 -1.14 0.00 0.00 176.83 174.57 1igz h ASN 122 N 0.00 0.00 0.29 3.07 -1.24 -1.15 -2.78 115.58 113.78 1igz h ASN 122 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1igz h ASN 122 Cb 0.45 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.50 1igz h ASN 122 CO 0.00 0.00 -0.06 0.18 -1.29 0.00 0.00 177.43 176.26 1igz n LEU 123 N -2.47 0.39 -4.32 0.34 4.77 -1.05 -4.74 117.00 109.93 1igz n LEU 123 Ca 0.01 0.01 -0.37 0.00 -0.03 0.00 0.00 56.01 55.63 1igz n LEU 123 Cb 0.19 -0.15 -0.13 0.00 -2.33 0.00 0.00 43.42 41.00 1igz n LEU 123 CO 0.19 0.07 -0.29 -0.63 -1.33 0.00 0.00 177.39 175.39 1igz s ILE 124 N -2.36 3.80 0.30 -0.08 -1.09 -1.05 -5.06 121.20 115.67 1igz s ILE 124 Ca 0.33 -0.75 -0.30 0.00 -2.23 0.00 0.00 60.65 57.71 1igz s ILE 124 Cb 0.21 -2.96 -0.12 0.00 -1.58 0.00 0.00 42.46 38.01 1igz s ILE 124 CO 0.44 0.10 1.45 -0.81 -1.23 0.00 0.00 174.94 174.89 1igz n PRO 125 N 4.84 2.37 -3.59 2.79 -0.04 -1.26 -4.99 135.00 135.11 1igz n PRO 125 Ca -0.15 0.84 -0.01 0.00 -0.04 0.00 0.00 63.50 64.14 1igz n PRO 125 Cb 0.48 -2.53 -0.05 0.00 -0.04 0.00 0.00 33.50 31.36 1igz n PRO 125 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1igz s SER 126 N 0.16 -0.93 0.45 3.54 0.15 -1.26 -3.84 113.70 111.97 1igz s SER 126 Ca 0.62 1.31 -0.23 0.00 0.70 0.00 0.00 55.95 58.35 1igz s SER 126 Cb -0.56 1.92 -0.10 0.00 -1.71 0.00 0.00 66.02 65.58 1igz s SER 126 CO 0.54 -0.19 0.97 -0.81 1.20 0.00 0.00 173.24 174.96 1igz n PRO 127 N 5.02 1.25 -1.04 5.44 -0.04 -1.26 -4.95 135.00 139.43 1igz n PRO 127 Ca -0.13 0.45 -0.35 0.00 -0.04 0.00 0.00 63.50 63.43 1igz n PRO 127 Cb 0.52 -2.03 0.08 0.00 -0.04 0.00 0.00 33.50 32.02 1igz n PRO 127 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1igz n PRO 128 N 0.01 0.00 0.00 0.54 -0.04 -1.25 -5.06 135.00 129.21 1igz n PRO 128 Ca 0.10 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1igz n PRO 128 Cb 0.40 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1igz n PRO 128 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1igz n THR 129 N -2.77 0.00 -3.61 0.52 -2.24 -1.26 -4.84 114.28 100.08 1igz n THR 129 Ca 0.06 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 1igz n THR 129 Cb 0.52 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 1igz n THR 129 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1igz s TYR 130 N 0.29 2.29 0.33 4.78 1.51 -1.25 -4.61 117.35 120.69 1igz s TYR 130 Ca 0.00 -0.61 0.05 0.00 -1.01 0.00 0.00 57.07 55.49 1igz s TYR 130 Cb 0.00 -2.10 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1igz s TYR 130 CO 0.00 -0.31 0.34 0.27 -1.11 0.00 0.00 175.55 174.74 1igz n ASN 131 N -1.67 -0.88 0.27 2.29 0.23 -1.03 -0.06 115.26 114.40 1igz n ASN 131 Ca 0.03 -3.03 0.13 0.00 -0.53 0.00 0.00 54.58 51.18 1igz n ASN 131 Cb 0.62 1.88 0.68 0.00 -2.08 0.00 0.00 39.78 40.89 1igz n ASN 131 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1igz h ILE 132 N 2.02 0.00 0.00 1.53 6.09 -1.85 -2.51 117.51 122.79 1igz h ILE 132 Ca -0.24 0.00 -0.16 0.00 -1.37 0.00 0.00 64.86 63.09 1igz h ILE 132 Cb 1.15 0.56 -0.03 0.00 0.47 0.00 0.00 36.82 38.97 1igz h ILE 132 CO 0.34 0.00 -1.85 0.00 -3.07 0.00 0.00 178.15 173.57 1igz n ALA 133 N -1.79 1.96 -3.77 0.18 0.00 -1.26 -4.98 120.51 110.86 1igz n ALA 133 Ca -0.02 -0.71 -0.27 0.00 0.00 0.00 0.00 53.44 52.43 1igz n ALA 133 Cb 0.31 -0.20 -0.17 0.00 0.00 0.00 0.00 19.45 19.39 1igz n ALA 133 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1igz s HIS 134 N -2.57 1.74 -0.56 0.00 3.76 -0.95 -4.99 115.29 111.72 1igz s HIS 134 Ca -0.06 -0.84 -0.02 0.00 -0.15 0.00 0.00 55.06 53.99 1igz s HIS 134 Cb 0.06 -1.32 0.37 0.00 1.11 0.00 0.00 32.58 32.80 1igz s HIS 134 CO 0.58 -0.48 2.05 -0.25 -0.85 0.00 0.00 174.74 175.78 1igz n ASP 135 N 4.48 7.30 -3.65 1.40 8.00 -1.26 -2.47 116.55 130.35 1igz n ASP 135 Ca -0.17 -3.56 -0.07 0.00 0.71 0.00 0.00 54.79 51.70 1igz n ASP 135 Cb 0.51 -1.01 -0.02 0.00 -0.02 0.00 0.00 41.12 40.58 1igz n ASP 135 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1igz s TYR 136 N -3.18 -0.28 0.11 1.24 -0.85 -1.26 -4.98 117.35 108.15 1igz s TYR 136 Ca 0.54 -0.00 -0.30 0.00 -0.52 0.00 0.00 57.07 56.78 1igz s TYR 136 Cb 0.42 0.62 -0.07 0.00 0.38 0.00 0.00 41.96 43.31 1igz s TYR 136 CO -0.03 -0.86 1.18 0.42 -1.52 0.00 0.00 175.55 174.74 1igz s ILE 137 N -3.49 3.89 0.02 -3.49 1.09 -1.26 -4.63 121.20 113.34 1igz s ILE 137 Ca 0.08 1.46 -0.13 0.00 -1.10 0.00 0.00 60.65 60.96 1igz s ILE 137 Cb -0.02 -3.93 0.02 0.00 -1.06 0.00 0.00 42.46 37.46 1igz s ILE 137 CO -0.03 0.17 0.27 -0.94 -0.10 0.00 0.00 174.94 174.32 1igz s SER 138 N 0.60 -0.11 0.35 3.58 1.04 -1.26 -5.03 113.70 112.87 1igz s SER 138 Ca 0.55 -0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.90 1igz s SER 138 Cb -0.30 0.32 0.64 0.00 0.10 0.00 0.00 66.02 66.78 1igz s SER 138 CO 0.32 -0.53 1.89 -0.25 0.98 0.00 0.00 173.24 175.65 1igz h TRP 139 N 3.55 0.51 0.04 5.02 2.91 -1.99 -1.59 115.95 124.40 1igz h TRP 139 Ca -0.31 -0.05 -0.00 0.00 1.13 0.00 0.00 58.89 59.66 1igz h TRP 139 Cb 1.19 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 29.69 1igz h TRP 139 CO 0.50 0.50 -0.02 1.49 -1.03 0.00 0.00 178.44 179.88 1igz h GLU 140 N 0.48 -0.05 -1.00 2.65 4.57 -1.98 -1.69 114.58 117.56 1igz h GLU 140 Ca 0.11 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.36 1igz h GLU 140 Cb 0.30 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.83 1igz h GLU 140 CO 0.01 0.03 0.65 1.03 -1.18 0.00 0.00 179.01 179.54 1igz h SER 141 N -0.11 1.02 0.94 1.04 0.87 -1.78 0.70 113.55 116.24 1igz h SER 141 Ca -0.01 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1igz h SER 141 Cb 0.10 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1igz h SER 141 CO 0.01 0.64 -0.45 0.15 -0.53 0.00 0.00 176.83 176.65 1igz h PHE 142 N 1.15 -1.17 0.00 2.24 3.57 -0.93 -3.37 116.94 118.44 1igz h PHE 142 Ca 0.44 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.82 1igz h PHE 142 Cb 0.20 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1igz h PHE 142 CO -0.00 -0.73 -0.75 0.66 -2.23 0.00 0.00 178.31 175.26 1igz h SER 143 N -1.28 0.00 -0.77 0.41 4.64 -1.07 -3.43 113.55 112.06 1igz h SER 143 Ca -0.13 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.58 1igz h SER 143 Cb 0.97 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.99 1igz h SER 143 CO 0.21 0.38 1.98 -3.20 -0.87 0.00 0.00 176.83 175.33 1igz n ASN 144 N -3.04 4.54 0.08 4.97 2.85 0.22 -4.78 115.26 120.10 1igz n ASN 144 Ca -0.01 -2.87 0.02 0.00 -0.11 0.00 0.00 54.58 51.60 1igz n ASN 144 Cb 0.71 -1.75 0.10 0.00 1.24 0.00 0.00 39.78 40.08 1igz n ASN 144 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1igz n VAL 145 N 6.69 0.46 -0.14 3.44 0.31 -1.26 -1.68 118.33 126.16 1igz n VAL 145 Ca 0.48 0.63 -0.12 0.00 -0.01 0.00 0.00 64.34 65.32 1igz n VAL 145 Cb 0.46 -1.63 -0.02 0.00 -0.91 0.00 0.00 33.84 31.75 1igz n VAL 145 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1igz h SER 146 N 0.00 0.86 -3.28 4.52 0.02 -1.86 -3.44 113.55 110.37 1igz h SER 146 Ca 0.00 -0.40 -0.53 0.00 -0.84 0.00 0.00 61.79 60.03 1igz h SER 146 Cb 0.86 -0.24 0.03 0.00 0.14 0.00 0.00 62.40 63.20 1igz h SER 146 CO 0.00 1.06 0.69 -0.31 -1.14 0.00 0.00 176.83 177.14 1igz s TYR 147 N -4.66 3.21 0.87 3.45 2.02 -0.67 -1.14 117.35 120.43 1igz s TYR 147 Ca -0.12 1.11 -0.12 0.00 -0.37 0.00 0.00 57.07 57.57 1igz s TYR 147 Cb 0.11 -3.66 0.11 0.00 -0.40 0.00 0.00 41.96 38.12 1igz s TYR 147 CO 0.84 -2.16 1.10 0.71 -1.57 0.00 0.00 175.55 174.46 1igz s TYR 148 N 0.36 2.50 0.21 2.71 2.02 -0.65 -4.90 117.35 119.60 1igz s TYR 148 Ca 0.59 1.16 0.10 0.00 -0.37 0.00 0.00 57.07 58.56 1igz s TYR 148 Cb -0.38 -3.18 -0.04 0.00 -0.40 0.00 0.00 41.96 37.96 1igz s TYR 148 CO 0.37 -2.21 -0.16 -0.08 -1.57 0.00 0.00 175.55 171.90 1igz s THR 149 N -3.05 2.80 0.11 -0.71 -1.32 -0.79 -4.29 115.64 108.39 1igz s THR 149 Ca 0.63 -1.92 0.10 0.00 -1.21 0.00 0.00 61.69 59.28 1igz s THR 149 Cb -0.16 -2.39 -0.04 0.00 -1.51 0.00 0.00 72.50 68.40 1igz s THR 149 CO 0.56 -0.17 -0.22 0.00 -2.21 0.00 0.00 174.62 172.57 1igz s ARG 150 N -2.93 1.64 -0.12 7.08 1.70 0.91 -1.50 118.95 125.73 1igz s ARG 150 Ca 0.25 -1.24 -0.28 0.00 -0.47 0.00 0.00 55.73 53.99 1igz s ARG 150 Cb -0.08 -2.02 -0.26 0.00 -0.57 0.00 0.00 34.95 32.02 1igz s ARG 150 CO 0.13 0.47 0.82 0.82 -1.08 0.00 0.00 175.30 176.47 1igz h ILE 151 N 3.75 1.73 -3.21 4.99 1.08 -2.00 -3.32 117.51 120.53 1igz h ILE 151 Ca -0.50 -2.29 -0.64 0.00 -0.39 0.00 0.00 64.86 61.04 1igz h ILE 151 Cb 1.17 3.28 -0.10 0.00 -3.07 0.00 0.00 36.82 38.10 1igz h ILE 151 CO 0.43 0.60 -0.62 -0.76 -0.69 0.00 0.00 178.15 177.11 1igz s LEU 152 N -8.25 3.71 0.00 1.44 1.43 -1.26 -4.94 118.68 110.81 1igz s LEU 152 Ca -0.18 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1igz s LEU 152 Cb -0.02 -2.40 0.09 0.00 0.03 0.00 0.00 46.19 43.88 1igz s LEU 152 CO 0.71 0.17 0.23 -0.81 0.23 0.00 0.00 176.35 176.88 1igz n PRO 153 N 0.46 -2.27 -3.14 1.29 -0.04 -1.26 -4.94 135.00 125.11 1igz n PRO 153 Ca -0.09 -0.38 -0.19 0.00 -0.04 0.00 0.00 63.50 62.80 1igz n PRO 153 Cb 0.52 -0.44 0.02 0.00 -0.04 0.00 0.00 33.50 33.57 1igz n PRO 153 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1igz s SER 154 N -2.25 5.30 -0.44 3.54 1.04 -1.26 -4.48 113.70 115.15 1igz s SER 154 Ca 0.17 -0.68 -0.29 0.00 0.48 0.00 0.00 55.95 55.63 1igz s SER 154 Cb -0.02 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.92 1igz s SER 154 CO 0.13 -1.00 1.26 -0.69 0.98 0.00 0.00 173.24 173.92 1igz s VAL 155 N -2.52 4.08 -0.03 5.02 1.01 0.07 -4.92 120.40 123.12 1igz s VAL 155 Ca 0.56 1.10 -0.35 0.00 0.00 0.00 0.00 61.98 63.29 1igz s VAL 155 Cb -0.07 -4.42 -0.17 0.00 0.00 0.00 0.00 36.38 31.72 1igz s VAL 155 CO 0.34 -0.88 0.95 -2.65 0.00 0.00 0.00 175.10 172.87 1igz n PRO 156 N 7.91 0.00 0.00 2.72 -0.02 -1.26 -4.75 135.00 139.60 1igz n PRO 156 Ca 0.14 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.63 1igz n PRO 156 Cb 0.48 -1.29 0.07 0.00 -0.02 0.00 0.00 33.50 32.74 1igz n PRO 156 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1igz n ARG 157 N 1.43 0.17 -0.60 -0.52 1.74 -1.26 -1.94 116.66 115.68 1igz n ARG 157 Ca 0.18 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.31 1igz n ARG 157 Cb 0.06 -1.23 0.10 0.00 -1.02 0.00 0.00 32.46 30.38 1igz n ARG 157 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1igz n ASP 158 N -0.73 1.36 -4.90 0.55 5.75 -1.26 -5.06 116.55 112.26 1igz n ASP 158 Ca 0.02 -2.83 -0.29 0.00 -0.01 0.00 0.00 54.79 51.68 1igz n ASP 158 Cb 0.01 -0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 39.69 1igz n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1igz n PRO 160 N -0.81 0.00 -1.40 0.00 -0.02 -1.17 -4.70 135.00 126.90 1igz n PRO 160 Ca -0.01 0.19 -0.31 0.00 -2.02 0.00 0.00 63.50 61.34 1igz n PRO 160 Cb 0.54 -0.85 0.07 0.00 -0.02 0.00 0.00 33.50 33.24 1igz n PRO 160 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1igz s THR 161 N -0.70 3.61 0.47 3.45 -4.23 -0.97 -4.90 115.64 112.36 1igz s THR 161 Ca 0.00 0.53 0.27 0.00 -1.18 0.00 0.00 61.69 61.31 1igz s THR 161 Cb 0.00 -3.12 0.30 0.00 1.34 0.00 0.00 72.50 71.02 1igz s THR 161 CO 0.00 -0.68 2.12 -0.65 -0.54 0.00 0.00 174.62 174.88 1igz h PRO 162 N -0.92 0.00 -0.03 3.99 0.11 -1.84 -1.04 132.00 132.27 1igz h PRO 162 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1igz h PRO 162 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1igz h PRO 162 CO 0.54 0.09 -0.13 -1.33 -0.21 0.00 0.00 178.00 176.95 1igz n MET 163 N -3.78 1.99 0.00 1.05 2.81 -1.26 -4.92 117.12 113.00 1igz n MET 163 Ca -0.02 -1.65 0.00 0.00 -1.81 0.00 0.00 57.70 54.22 1igz n MET 163 Cb 0.19 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 1igz n MET 163 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1igz n GLY 164 N 1.35 2.03 0.52 3.03 0.00 -0.40 -4.64 105.19 107.08 1igz n GLY 164 Ca 0.12 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 1igz n GLY 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1igz n THR 165 N 0.00 0.32 -4.10 2.61 -1.04 -1.25 -2.30 114.28 108.52 1igz n THR 165 Ca 0.00 -0.10 -0.31 0.00 -2.04 0.00 0.00 64.05 61.60 1igz n THR 165 Cb 0.00 -1.25 -0.07 0.00 -1.82 0.00 0.00 70.33 67.19 1igz n THR 165 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1igz s LYS 166 N -2.11 2.85 0.00 -2.82 1.02 -1.26 -4.61 119.74 112.81 1igz s LYS 166 Ca -0.08 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.24 1igz s LYS 166 Cb 0.03 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1igz s LYS 166 CO 0.11 0.58 0.00 0.41 -0.92 0.00 0.00 175.35 175.54 1igz n GLY 167 N 0.72 0.31 3.81 -3.33 0.00 -1.26 -4.32 105.19 101.12 1igz n GLY 167 Ca -0.10 -2.26 -0.30 0.00 0.00 0.00 0.00 46.02 43.36 1igz n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1igz s LYS 168 N -0.24 3.00 0.00 1.61 1.02 -1.26 -4.96 119.74 118.91 1igz s LYS 168 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.32 1igz s LYS 168 Cb 0.00 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1igz s LYS 168 CO 0.00 0.56 0.39 1.63 -0.92 0.00 0.00 175.35 177.01 1igz n LYS 169 N 0.26 0.00 -3.74 1.68 4.01 -1.26 -4.33 118.16 114.77 1igz n LYS 169 Ca -0.08 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.59 1igz n LYS 169 Cb 0.52 -1.44 -0.14 0.00 -0.51 0.00 0.00 35.03 33.46 1igz n LYS 169 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 1igz s GLN 170 N -1.86 0.14 0.49 1.97 -2.07 -1.26 -4.78 119.66 112.29 1igz s GLN 170 Ca 0.00 0.43 -0.19 0.00 -1.82 0.00 0.00 55.36 53.78 1igz s GLN 170 Cb 0.00 -0.15 -0.09 0.00 -1.09 0.00 0.00 33.01 31.69 1igz s GLN 170 CO 0.00 -0.16 1.00 -0.51 -1.32 0.00 0.00 175.29 174.30 1igz s LEU 171 N 1.17 3.79 0.47 2.60 1.43 -1.26 -4.98 118.68 121.89 1igz s LEU 171 Ca -0.09 1.74 -0.22 0.00 -1.03 0.00 0.00 54.13 54.54 1igz s LEU 171 Cb -0.11 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.47 1igz s LEU 171 CO -0.07 -0.63 0.75 -2.65 0.23 0.00 0.00 176.35 173.98 1igz n PRO 172 N -1.12 0.85 -1.93 1.29 -0.02 -1.26 -4.79 135.00 128.02 1igz n PRO 172 Ca 0.08 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.44 1igz n PRO 172 Cb 0.53 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 1igz n PRO 172 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1igz s ASP 173 N -0.96 6.16 0.48 2.55 -4.77 -1.26 -4.85 116.67 114.02 1igz s ASP 173 Ca 0.66 1.82 0.24 0.00 -3.30 0.00 0.00 52.55 51.96 1igz s ASP 173 Cb -0.53 -2.53 1.27 0.00 -1.09 0.00 0.00 42.92 40.04 1igz s ASP 173 CO 0.56 -1.40 1.90 0.00 0.70 0.00 0.00 175.17 176.92 1igz h ALA 174 N 11.76 2.47 -0.49 2.11 0.00 -1.93 0.44 119.26 133.62 1igz h ALA 174 Ca -0.38 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1igz h ALA 174 Cb 1.19 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1igz h ALA 174 CO 0.99 -0.72 -0.05 1.05 0.00 0.00 0.00 179.25 180.51 1igz h GLU 175 N 0.20 0.90 0.47 0.00 4.11 -1.91 -2.11 114.58 116.24 1igz h GLU 175 Ca 0.41 -0.31 -0.02 0.00 0.07 0.00 0.00 59.36 59.50 1igz h GLU 175 Cb 1.31 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1igz h GLU 175 CO -0.08 0.96 -0.23 0.35 0.07 0.00 0.00 179.01 180.08 1igz h PHE 176 N 0.76 -0.59 -0.90 2.06 3.57 -1.35 -2.99 116.94 117.50 1igz h PHE 176 Ca 0.13 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.80 1igz h PHE 176 Cb 0.59 0.19 -0.17 0.00 2.79 0.00 0.00 35.95 39.35 1igz h PHE 176 CO 0.04 -0.37 -0.23 -0.11 -2.23 0.00 0.00 178.31 175.42 1igz n LEU 177 N -4.09 -0.34 0.00 0.59 7.94 -0.48 -0.88 117.00 119.74 1igz n LEU 177 Ca -0.08 1.55 0.00 0.00 -1.11 0.00 0.00 56.01 56.37 1igz n LEU 177 Cb 0.25 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.74 1igz n LEU 177 CO 0.19 -1.48 0.38 -1.20 -1.11 0.00 0.00 177.39 174.17 1igz n SER 178 N -5.46 0.00 -0.31 1.96 7.64 -0.79 -1.14 113.62 115.52 1igz n SER 178 Ca 0.14 0.76 0.11 0.00 1.01 0.00 0.00 58.87 60.90 1igz n SER 178 Cb 0.45 -0.26 0.29 0.00 -1.01 0.00 0.00 64.21 63.67 1igz n SER 178 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1igz h ARG 179 N 0.00 0.51 -0.22 1.43 3.08 -1.17 0.75 114.38 118.76 1igz h ARG 179 Ca 0.00 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1igz h ARG 179 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1igz h ARG 179 CO 0.00 0.34 -0.33 0.00 -1.07 0.00 0.00 179.97 178.91 1igz h ARG 180 N 0.52 0.46 0.00 0.04 2.47 -0.85 -3.31 114.38 113.71 1igz h ARG 180 Ca 0.53 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 1igz h ARG 180 Cb 0.92 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.23 1igz h ARG 180 CO -0.45 0.74 -0.69 1.19 0.56 0.00 0.00 179.97 181.31 1igz n PHE 181 N -4.07 0.00 0.25 3.04 3.01 -0.29 -4.83 117.46 114.56 1igz n PHE 181 Ca -0.01 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.54 1igz n PHE 181 Cb 0.45 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.80 1igz n PHE 181 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1igz n LEU 182 N -1.32 0.25 -4.68 4.37 4.77 0.25 0.22 117.00 120.85 1igz n LEU 182 Ca 0.00 -0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.41 1igz n LEU 182 Cb 0.20 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1igz n LEU 182 CO 0.00 0.06 1.15 -0.22 -1.33 0.00 0.00 177.39 177.06 1igz s LEU 183 N -3.83 4.31 0.30 2.23 2.96 -0.35 -1.73 118.68 122.58 1igz s LEU 183 Ca -0.03 2.13 -0.29 0.00 -0.22 0.00 0.00 54.13 55.72 1igz s LEU 183 Cb 0.12 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.15 1igz s LEU 183 CO 0.75 -0.75 1.44 -0.60 -1.32 0.00 0.00 176.35 175.87 1igz s ARG 184 N 2.61 4.24 0.00 1.98 3.52 0.70 -4.20 118.95 127.79 1igz s ARG 184 Ca 0.65 2.38 0.00 0.00 -0.13 0.00 0.00 55.73 58.62 1igz s ARG 184 Cb -0.32 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 1igz s ARG 184 CO 0.27 -0.42 0.00 2.89 -0.81 0.00 0.00 175.30 177.22 1igz n ARG 185 N 1.61 0.00 -3.80 5.12 -4.01 -1.26 -4.79 116.66 109.53 1igz n ARG 185 Ca 0.04 0.00 -0.37 0.00 -1.04 0.00 0.00 57.85 56.48 1igz n ARG 185 Cb 0.40 0.00 -0.06 0.00 -3.04 0.00 0.00 32.46 29.76 1igz n ARG 185 CO 0.00 0.00 0.00 -1.59 -3.04 0.00 0.00 177.63 173.00 1igz s LYS 186 N 0.00 3.60 0.09 2.89 0.00 -1.26 -5.04 119.74 120.02 1igz s LYS 186 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 55.97 55.60 1igz s LYS 186 Cb 0.00 -3.22 -0.09 0.00 0.00 0.00 0.00 37.83 34.51 1igz s LYS 186 CO 0.00 0.71 1.76 0.12 0.00 0.00 0.00 175.35 177.94 1igz s PHE 187 N -0.86 2.20 -0.37 1.78 2.19 -1.26 -4.93 117.98 116.74 1igz s PHE 187 Ca 0.16 0.10 -0.07 0.00 0.33 0.00 0.00 56.93 57.45 1igz s PHE 187 Cb -0.13 -4.09 0.06 0.00 -1.31 0.00 0.00 43.02 37.56 1igz s PHE 187 CO 0.05 -4.47 0.16 0.42 1.83 0.00 0.00 175.22 173.20 1igz s ILE 188 N 2.83 3.84 0.59 3.12 1.01 -1.26 -5.09 121.20 126.23 1igz s ILE 188 Ca 0.78 -1.31 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 1igz s ILE 188 Cb -0.43 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1igz s ILE 188 CO 0.35 -0.33 1.06 -2.16 0.00 0.00 0.00 174.94 173.86 1igz s PRO 189 N 1.38 3.32 -0.20 2.79 0.04 -1.26 -0.38 135.00 140.68 1igz s PRO 189 Ca 0.01 1.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 1igz s PRO 189 Cb -0.21 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1igz s PRO 189 CO 0.02 -0.81 1.71 0.34 0.04 0.00 0.00 177.00 178.30 1igz s ASP 190 N -2.76 6.29 0.43 6.66 2.15 -0.72 -3.96 116.67 124.76 1igz s ASP 190 Ca 0.64 1.73 0.18 0.00 0.43 0.00 0.00 52.55 55.53 1igz s ASP 190 Cb -0.16 -2.53 1.10 0.00 -0.30 0.00 0.00 42.92 41.03 1igz s ASP 190 CO 0.36 -1.31 1.89 1.55 -0.17 0.00 0.00 175.17 177.49 1igz h PRO 191 N 11.16 0.37 0.00 4.34 0.13 -1.80 -0.58 132.00 145.63 1igz h PRO 191 Ca -0.36 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1igz h PRO 191 Cb 1.17 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1igz h PRO 191 CO 0.99 0.25 0.00 1.04 -0.23 0.00 0.00 178.00 180.05 1igz n GLN 192 N -4.48 0.27 -0.96 0.86 6.02 -1.20 -4.83 117.38 113.06 1igz n GLN 192 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1igz n GLN 192 Cb 0.64 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.50 1igz n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1igz n GLY 193 N -0.41 0.78 3.57 1.08 0.00 -0.22 -5.00 105.19 104.99 1igz n GLY 193 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1igz n GLY 193 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1igz n THR 194 N -2.41 2.78 -4.46 2.61 -1.04 -1.26 -1.03 114.28 109.47 1igz n THR 194 Ca 0.00 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.31 1igz n THR 194 Cb 0.00 -1.01 -0.04 0.00 -1.82 0.00 0.00 70.33 67.46 1igz n THR 194 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1igz n ASN 195 N 0.13 2.81 0.14 8.00 6.94 -1.14 -2.19 115.26 129.95 1igz n ASN 195 Ca 0.11 -2.36 0.04 0.00 -0.02 0.00 0.00 54.58 52.35 1igz n ASN 195 Cb 0.44 0.23 0.04 0.00 -2.36 0.00 0.00 39.78 38.12 1igz n ASN 195 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1igz h LEU 196 N 0.00 0.00 -1.89 -4.53 3.38 -0.56 -2.57 115.31 109.15 1igz h LEU 196 Ca -0.26 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1igz h LEU 196 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1igz h LEU 196 CO 0.42 0.43 0.13 -0.03 0.09 0.00 0.00 178.44 179.48 1igz h MET 197 N 0.00 0.14 0.01 1.13 4.05 -1.73 -2.02 114.93 116.51 1igz h MET 197 Ca -0.02 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1igz h MET 197 Cb 1.34 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 1igz h MET 197 CO 0.05 0.10 -0.06 0.35 0.23 0.00 0.00 176.91 177.58 1igz h PHE 198 N 0.15 0.04 -0.90 1.39 3.57 -1.73 -3.16 116.94 116.31 1igz h PHE 198 Ca 0.08 -0.03 0.25 0.00 3.53 0.00 0.00 57.97 61.80 1igz h PHE 198 Cb 0.14 -0.00 -0.15 0.00 2.79 0.00 0.00 35.95 38.73 1igz h PHE 198 CO -0.00 0.98 0.22 0.00 -2.23 0.00 0.00 178.31 177.28 1igz h ALA 199 N 0.05 1.30 0.01 2.41 0.00 -0.97 0.40 119.26 122.45 1igz h ALA 199 Ca -0.01 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1igz h ALA 199 Cb 1.00 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1igz h ALA 199 CO 0.01 -0.51 -0.00 0.74 0.00 0.00 0.00 179.25 179.49 1igz h PHE 200 N 0.17 -0.01 -0.92 0.00 0.04 -1.57 -2.25 116.94 112.40 1igz h PHE 200 Ca 0.57 -0.00 0.26 0.00 2.80 0.00 0.00 57.97 61.60 1igz h PHE 200 Cb 1.18 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 39.17 1igz h PHE 200 CO -0.29 0.82 0.19 0.35 -0.60 0.00 0.00 178.31 178.78 1igz h PHE 201 N -0.88 0.25 0.62 -0.55 -0.00 -1.36 0.58 116.94 115.61 1igz h PHE 201 Ca -0.00 0.06 -0.02 0.00 -0.00 0.00 0.00 57.97 58.00 1igz h PHE 201 Cb 0.83 0.04 -0.01 0.00 -0.00 0.00 0.00 35.95 36.81 1igz h PHE 201 CO 0.22 -0.31 -0.50 0.00 -0.00 0.00 0.00 178.31 177.72 1igz h ALA 202 N 1.87 -1.21 -0.19 2.41 0.00 -0.91 0.12 119.26 121.35 1igz h ALA 202 Ca 0.59 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.34 1igz h ALA 202 Cb 1.25 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 19.66 1igz h ALA 202 CO -0.76 -1.21 -0.27 0.37 0.00 0.00 0.00 179.25 177.39 1igz h GLN 203 N -1.09 -0.29 0.00 0.00 4.15 0.18 -0.58 115.11 117.48 1igz h GLN 203 Ca -0.08 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1igz h GLN 203 Cb 0.91 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1igz h GLN 203 CO 0.00 -0.19 0.00 1.58 -1.93 0.00 0.00 178.83 178.29 1igz n HIS 204 N -5.38 0.00 -0.20 3.99 -0.00 0.16 -2.47 115.22 111.32 1igz n HIS 204 Ca -0.02 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.21 1igz n HIS 204 Cb 0.30 -0.03 0.10 0.00 -0.12 0.00 0.00 29.99 30.24 1igz n HIS 204 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1igz n PHE 205 N -0.83 0.24 0.23 1.57 7.35 0.41 0.31 117.46 126.73 1igz n PHE 205 Ca 0.00 0.68 0.09 0.00 -0.76 0.00 0.00 57.45 57.46 1igz n PHE 205 Cb 0.00 -0.85 0.53 0.00 0.35 0.00 0.00 39.48 39.51 1igz n PHE 205 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1igz h THR 206 N 0.00 0.69 0.00 -2.13 1.35 -1.00 -3.16 112.91 108.67 1igz h THR 206 Ca 0.28 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1igz h THR 206 Cb 0.48 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1igz h THR 206 CO -0.56 0.22 0.00 1.41 -0.25 0.00 0.00 175.52 176.34 1igz n HIS 207 N -3.58 0.00 0.07 4.73 8.25 0.15 -2.14 115.22 122.69 1igz n HIS 207 Ca -0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.55 1igz n HIS 207 Cb 0.37 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.43 1igz n HIS 207 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1igz n GLN 208 N -0.61 0.62 -0.00 -0.41 10.64 -1.19 -4.33 117.38 122.09 1igz n GLN 208 Ca 0.04 0.07 0.02 0.00 -1.83 0.00 0.00 57.00 55.29 1igz n GLN 208 Cb 0.02 -1.76 -0.03 0.00 -0.86 0.00 0.00 30.24 27.61 1igz n GLN 208 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 1igz n PHE 209 N -2.62 0.00 -3.47 2.61 -1.74 -1.10 -4.73 117.46 106.42 1igz n PHE 209 Ca -0.02 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.44 1igz n PHE 209 Cb 0.59 -0.05 -0.07 0.00 1.52 0.00 0.00 39.48 41.46 1igz n PHE 209 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 1igz s PHE 210 N -1.92 3.35 -0.42 2.97 0.08 -0.91 -4.81 117.98 116.32 1igz s PHE 210 Ca -0.00 -1.57 0.04 0.00 0.12 0.00 0.00 56.93 55.52 1igz s PHE 210 Cb 0.03 -3.51 0.17 0.00 -0.57 0.00 0.00 43.02 39.14 1igz s PHE 210 CO 0.15 -0.97 0.44 0.15 -0.10 0.00 0.00 175.22 174.89 1igz s LYS 211 N 1.47 0.84 -0.03 0.44 1.02 -1.26 -4.61 119.74 117.61 1igz s LYS 211 Ca 0.04 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 54.33 1igz s LYS 211 Cb -0.27 -0.85 -0.03 0.00 -0.52 0.00 0.00 37.83 36.16 1igz s LYS 211 CO 0.01 -1.30 1.11 0.99 -0.92 0.00 0.00 175.35 175.24 1igz s THR 212 N 0.76 4.45 -0.38 2.17 2.01 -1.26 -0.22 115.64 123.18 1igz s THR 212 Ca 0.26 1.76 -0.29 0.00 0.31 0.00 0.00 61.69 63.73 1igz s THR 212 Cb -0.05 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.35 1igz s THR 212 CO -0.09 0.05 1.26 -0.55 -0.69 0.00 0.00 174.62 174.60 1igz s SER 213 N 1.22 6.60 0.20 3.53 0.15 -1.17 -4.85 113.70 119.38 1igz s SER 213 Ca 0.54 0.88 -0.10 0.00 0.70 0.00 0.00 55.95 57.96 1igz s SER 213 Cb -0.23 -2.54 0.21 0.00 -1.71 0.00 0.00 66.02 61.74 1igz s SER 213 CO 0.24 -1.20 1.82 1.23 1.20 0.00 0.00 173.24 176.52 1igz h GLY 214 N 11.24 0.94 0.21 9.45 0.00 -1.93 0.81 103.07 123.79 1igz h GLY 214 Ca -0.25 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 46.85 1igz h GLY 214 CO 1.07 0.18 -0.36 0.07 0.00 0.00 0.00 176.54 177.51 1igz h LYS 215 N 0.70 -0.48 0.00 4.80 -0.00 -2.02 -2.15 116.57 117.43 1igz h LYS 215 Ca 0.28 0.03 -0.08 0.00 -0.00 0.00 0.00 60.65 60.88 1igz h LYS 215 Cb 0.13 0.11 -0.01 0.00 -0.00 0.00 0.00 32.23 32.46 1igz h LYS 215 CO -0.16 -0.32 -0.39 0.52 -0.00 0.00 0.00 179.45 179.10 1igz h MET 216 N -0.50 0.00 0.00 0.07 2.07 -1.92 -3.50 114.93 111.16 1igz h MET 216 Ca 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 1igz h MET 216 Cb 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.33 1igz h MET 216 CO -0.31 0.39 0.00 0.41 1.07 0.00 0.00 176.91 178.47 1igz n GLY 217 N 0.55 -2.85 3.72 8.32 0.00 0.28 -4.89 105.19 110.33 1igz n GLY 217 Ca 0.01 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1igz n GLY 217 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1igz s PRO 218 N -0.48 2.04 0.00 1.61 0.02 -1.26 -3.08 135.00 133.85 1igz s PRO 218 Ca 0.00 1.76 0.00 0.00 0.02 0.00 0.00 61.00 62.78 1igz s PRO 218 Cb 0.00 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.70 1igz s PRO 218 CO 0.00 -1.91 0.00 0.41 -0.33 0.00 0.00 177.00 175.17 1igz n GLY 219 N 0.40 0.67 3.24 0.52 0.00 -1.26 -5.03 105.19 103.73 1igz n GLY 219 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1igz n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1igz s PHE 220 N -2.47 1.22 -0.07 1.61 0.40 -1.18 -1.63 117.98 115.86 1igz s PHE 220 Ca 0.00 -0.79 -0.07 0.00 -0.60 0.00 0.00 56.93 55.47 1igz s PHE 220 Cb 0.00 -0.63 0.02 0.00 0.51 0.00 0.00 43.02 42.92 1igz s PHE 220 CO 0.00 0.04 0.20 -0.08 0.70 0.00 0.00 175.22 176.08 1igz s THR 221 N -3.37 0.00 0.09 0.64 -1.32 -0.29 -3.04 115.64 108.35 1igz s THR 221 Ca 0.16 -0.03 -0.06 0.00 -1.21 0.00 0.00 61.69 60.56 1igz s THR 221 Cb 0.03 -0.29 -0.25 0.00 -1.51 0.00 0.00 72.50 70.48 1igz s THR 221 CO 0.00 -0.01 1.19 0.11 -2.21 0.00 0.00 174.62 173.70 1igz h LYS 222 N 5.76 0.37 -5.67 7.08 1.57 -0.93 -3.40 116.57 121.36 1igz h LYS 222 Ca -0.26 -0.52 -0.40 0.00 -1.87 0.00 0.00 60.65 57.61 1igz h LYS 222 Cb 1.20 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.63 1igz h LYS 222 CO 0.38 1.20 1.19 0.00 -0.57 0.00 0.00 179.45 181.65 1igz s ALA 223 N -2.92 2.09 1.02 3.86 0.00 -1.26 -4.95 121.76 119.61 1igz s ALA 223 Ca -0.05 -2.09 -0.08 0.00 0.00 0.00 0.00 51.96 49.73 1igz s ALA 223 Cb 0.07 -4.62 0.11 0.00 0.00 0.00 0.00 23.12 18.68 1igz s ALA 223 CO 0.89 -4.65 0.59 1.28 0.00 0.00 0.00 175.76 173.86 1igz n LEU 224 N 12.79 0.00 0.00 0.00 4.77 -1.26 -3.72 117.00 129.57 1igz n LEU 224 Ca 0.43 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1igz n LEU 224 Cb 0.47 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1igz n LEU 224 CO 0.67 -1.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.29 1igz n GLY 225 N 0.67 1.64 4.05 -0.72 0.00 -1.26 -4.58 105.19 104.98 1igz n GLY 225 Ca 0.07 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1igz n GLY 225 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1igz n HIS 226 N 0.00 -1.90 0.00 1.61 8.25 -1.24 -4.84 115.22 117.10 1igz n HIS 226 Ca 0.00 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 1igz n HIS 226 Cb 0.00 -3.50 0.00 0.00 1.12 0.00 0.00 29.99 27.61 1igz n HIS 226 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1igz n GLY 227 N -1.62 2.63 3.03 -1.41 0.00 -1.26 -4.26 105.19 102.31 1igz n GLY 227 Ca -0.04 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1igz n GLY 227 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1igz n VAL 228 N 0.00 4.34 0.65 1.61 0.31 -1.26 -4.39 118.33 119.59 1igz n VAL 228 Ca 0.00 -5.56 0.07 0.00 -0.01 0.00 0.00 64.34 58.84 1igz n VAL 228 Cb 0.00 -2.26 0.03 0.00 -0.91 0.00 0.00 33.84 30.69 1igz n VAL 228 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1igz n ASP 229 N 1.77 1.85 -1.81 4.52 5.68 -1.26 -4.83 116.55 122.47 1igz n ASP 229 Ca 0.25 -1.43 -0.18 0.00 -0.50 0.00 0.00 54.79 52.94 1igz n ASP 229 Cb 0.36 0.27 -0.03 0.00 -1.14 0.00 0.00 41.12 40.58 1igz n ASP 229 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1igz n LEU 230 N 0.29 -1.65 -1.72 -2.12 4.32 -1.26 -4.83 117.00 110.03 1igz n LEU 230 Ca 0.07 0.13 -0.01 0.00 -0.02 0.00 0.00 56.01 56.18 1igz n LEU 230 Cb 0.34 -2.56 -0.01 0.00 -1.62 0.00 0.00 43.42 39.58 1igz n LEU 230 CO 0.15 -0.42 0.70 0.61 -1.22 0.00 0.00 177.39 177.20 1igz n GLY 231 N -0.95 1.84 0.01 -0.72 0.00 -1.26 0.23 105.19 104.35 1igz n GLY 231 Ca -0.20 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1igz n GLY 231 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1igz n HIS 232 N 1.76 0.00 0.06 1.61 1.44 -1.26 -3.77 115.22 115.07 1igz n HIS 232 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 1igz n HIS 232 Cb 0.35 0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.48 1igz n HIS 232 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1igz n ILE 233 N 0.00 0.54 0.31 0.61 5.41 0.14 -3.37 119.36 123.00 1igz n ILE 233 Ca 0.00 0.18 0.04 0.00 1.00 0.00 0.00 62.75 63.97 1igz n ILE 233 Cb 0.50 -1.15 0.18 0.00 -0.71 0.00 0.00 39.64 38.47 1igz n ILE 233 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1igz n TYR 234 N -3.30 0.85 -1.23 1.39 4.01 -0.77 -3.87 117.16 114.25 1igz n TYR 234 Ca 0.00 -0.32 0.16 0.00 -0.16 0.00 0.00 57.90 57.58 1igz n TYR 234 Cb 0.09 -0.21 -0.06 0.00 -0.31 0.00 0.00 39.34 38.85 1igz n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1igz n GLY 235 N 0.52 -2.46 1.33 2.72 0.00 -1.25 -4.09 105.19 101.96 1igz n GLY 235 Ca 0.13 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 45.07 1igz n GLY 235 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1igz n ASP 236 N -4.00 4.40 -3.74 1.61 5.68 -1.25 -4.43 116.55 114.81 1igz n ASP 236 Ca -0.03 -2.54 -0.13 0.00 -0.50 0.00 0.00 54.79 51.60 1igz n ASP 236 Cb 0.57 -0.53 -0.08 0.00 -1.14 0.00 0.00 41.12 39.94 1igz n ASP 236 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1igz s ASN 237 N -1.12 -0.19 0.25 -1.12 4.22 -1.26 -4.89 114.94 110.82 1igz s ASN 237 Ca 0.45 -0.02 -0.04 0.00 -2.14 0.00 0.00 52.86 51.11 1igz s ASN 237 Cb 0.31 0.35 0.38 0.00 1.28 0.00 0.00 41.25 43.56 1igz s ASN 237 CO 0.19 -0.55 1.83 0.25 -2.04 0.00 0.00 177.10 176.79 1igz h LEU 238 N 3.48 0.77 0.92 3.54 5.85 -1.92 -2.25 115.31 125.69 1igz h LEU 238 Ca -0.31 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 1igz h LEU 238 Cb 1.19 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 42.10 1igz h LEU 238 CO 0.43 0.46 -0.44 -0.33 -0.34 0.00 0.00 178.44 178.22 1igz h GLU 239 N 0.89 -1.19 -1.02 1.25 3.07 -1.97 -0.06 114.58 115.54 1igz h GLU 239 Ca 0.39 0.08 0.27 0.00 -0.50 0.00 0.00 59.36 59.61 1igz h GLU 239 Cb 0.28 0.27 -0.12 0.00 -0.84 0.00 0.00 28.75 28.34 1igz h GLU 239 CO -0.21 -0.79 0.61 -0.09 -1.40 0.00 0.00 179.01 177.13 1igz h ARG 240 N -1.26 0.47 0.61 2.33 2.43 -1.91 0.85 114.38 117.90 1igz h ARG 240 Ca -0.13 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1igz h ARG 240 Cb 0.95 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1igz h ARG 240 CO 0.21 0.31 -0.29 0.37 -1.51 0.00 0.00 179.97 179.05 1igz h GLN 241 N 0.48 -0.79 -0.77 0.20 4.15 -1.04 -1.98 115.11 115.35 1igz h GLN 241 Ca 0.66 0.05 0.16 0.00 0.77 0.00 0.00 58.65 60.29 1igz h GLN 241 Cb 1.42 0.18 -0.05 0.00 0.21 0.00 0.00 27.48 29.24 1igz h GLN 241 CO -0.47 -0.50 0.51 1.88 -1.93 0.00 0.00 178.83 178.33 1igz h TYR 242 N -0.91 0.48 0.00 3.99 0.99 0.18 0.78 116.97 122.47 1igz h TYR 242 Ca -0.08 0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.60 1igz h TYR 242 Cb 0.66 -0.15 -0.01 0.00 1.00 0.00 0.00 36.73 38.23 1igz h TYR 242 CO -0.02 0.18 -0.26 1.96 -0.00 0.00 0.00 178.16 180.02 1igz h GLN 243 N 0.40 0.00 0.00 4.88 7.50 0.79 -2.91 115.11 125.78 1igz h GLN 243 Ca 0.38 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.41 1igz h GLN 243 Cb 0.90 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.40 1igz h GLN 243 CO -0.12 0.26 -1.61 1.28 -1.50 0.00 0.00 178.83 177.14 1igz n LEU 244 N -3.49 0.53 -4.71 1.46 4.77 0.13 -4.46 117.00 111.23 1igz n LEU 244 Ca -0.00 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.78 1igz n LEU 244 Cb 0.43 0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1igz n LEU 244 CO 0.34 0.09 0.82 -0.13 -1.33 0.00 0.00 177.39 177.19 1igz s ARG 245 N -3.10 4.46 -0.09 3.23 0.52 0.22 -2.58 118.95 121.62 1igz s ARG 245 Ca -0.05 1.61 0.03 0.00 -0.52 0.00 0.00 55.73 56.81 1igz s ARG 245 Cb 0.10 -3.43 0.22 0.00 0.52 0.00 0.00 34.95 32.36 1igz s ARG 245 CO 0.83 -0.23 0.98 -0.11 0.02 0.00 0.00 175.30 176.79 1igz n LEU 246 N 4.22 2.86 -1.57 2.53 7.94 -1.12 -4.79 117.00 127.07 1igz n LEU 246 Ca 0.08 -1.46 0.00 0.00 -1.11 0.00 0.00 56.01 53.52 1igz n LEU 246 Cb 0.48 -0.57 0.00 0.00 0.53 0.00 0.00 43.42 43.86 1igz n LEU 246 CO 0.54 0.45 0.00 0.49 -1.11 0.00 0.00 177.39 177.76 1igz n PHE 247 N 0.14 0.00 -3.67 1.96 3.01 -1.26 -4.80 117.46 112.84 1igz n PHE 247 Ca 0.11 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.49 1igz n PHE 247 Cb 0.61 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.00 1igz n PHE 247 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1igz s LYS 248 N -1.67 0.48 -1.82 -1.08 1.02 -1.26 -4.89 119.74 110.52 1igz s LYS 248 Ca 0.00 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.03 1igz s LYS 248 Cb 0.00 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 1igz s LYS 248 CO 0.00 -0.18 0.00 -0.25 -0.92 0.00 0.00 175.35 174.00 1igz n ASP 249 N 4.67 -5.59 0.00 2.83 9.92 -1.26 -1.85 116.55 125.27 1igz n ASP 249 Ca -0.18 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 1igz n ASP 249 Cb 0.54 -4.74 0.00 0.00 -0.64 0.00 0.00 41.12 36.29 1igz n ASP 249 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1igz n GLY 250 N -0.83 0.17 3.69 0.44 0.00 -1.26 -4.80 105.19 102.61 1igz n GLY 250 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1igz n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1igz s LYS 251 N -0.63 -0.02 0.16 1.61 1.02 -0.77 -4.14 119.74 116.96 1igz s LYS 251 Ca 0.00 0.16 0.08 0.00 0.02 0.00 0.00 55.97 56.23 1igz s LYS 251 Cb 0.00 -1.72 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 1igz s LYS 251 CO 0.00 -2.96 -0.06 -0.51 -0.92 0.00 0.00 175.35 170.90 1igz s LEU 252 N -6.50 3.12 0.76 3.17 1.02 -1.26 -2.78 118.68 116.22 1igz s LEU 252 Ca 0.68 -0.45 -0.13 0.00 0.02 0.00 0.00 54.13 54.24 1igz s LEU 252 Cb -0.13 -1.83 0.06 0.00 0.02 0.00 0.00 46.19 44.31 1igz s LEU 252 CO 0.56 0.12 1.15 -0.54 0.02 0.00 0.00 176.35 177.66 1igz s LYS 253 N -2.70 2.07 0.13 1.70 1.02 -1.07 -4.71 119.74 116.18 1igz s LYS 253 Ca 0.25 1.51 -0.25 0.00 0.02 0.00 0.00 55.97 57.51 1igz s LYS 253 Cb -0.10 -1.85 0.08 0.00 -0.52 0.00 0.00 37.83 35.45 1igz s LYS 253 CO 0.16 -1.84 1.08 1.52 -0.92 0.00 0.00 175.35 175.35 1igz s TYR 254 N -2.39 0.00 -0.15 3.18 -0.85 -1.26 -4.13 117.35 111.74 1igz s TYR 254 Ca 0.68 -0.31 -0.07 0.00 -0.52 0.00 0.00 57.07 56.86 1igz s TYR 254 Cb -0.23 0.65 0.06 0.00 0.38 0.00 0.00 41.96 42.82 1igz s TYR 254 CO 0.49 -0.74 0.35 1.14 -1.52 0.00 0.00 175.55 175.28 1igz s GLN 255 N -2.46 0.29 -0.05 -3.49 -2.07 0.42 -4.70 119.66 107.60 1igz s GLN 255 Ca 0.19 0.77 -0.30 0.00 -1.82 0.00 0.00 55.36 54.21 1igz s GLN 255 Cb -0.01 0.02 -0.04 0.00 -1.09 0.00 0.00 33.01 31.89 1igz s GLN 255 CO 0.03 -0.20 1.36 -1.64 -1.32 0.00 0.00 175.29 173.52 1igz s MET 256 N 1.80 4.27 -0.08 9.60 -1.94 -1.26 -2.51 119.30 129.19 1igz s MET 256 Ca -0.06 1.87 -0.00 0.00 -1.71 0.00 0.00 55.69 55.78 1igz s MET 256 Cb -0.10 -3.66 0.02 0.00 2.01 0.00 0.00 34.83 33.10 1igz s MET 256 CO -0.11 -0.61 -0.04 -0.51 -0.01 0.00 0.00 175.02 173.74 1igz s LEU 257 N 2.80 0.99 0.00 -0.03 1.43 -0.51 -4.71 118.68 118.65 1igz s LEU 257 Ca 0.61 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1igz s LEU 257 Cb -0.28 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.35 1igz s LEU 257 CO 0.23 -0.13 0.00 0.59 0.23 0.00 0.00 176.35 177.28 1igz n ASN 258 N 4.76 -2.63 0.00 2.29 3.02 -1.26 -1.79 115.26 119.64 1igz n ASN 258 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1igz n ASN 258 Cb 0.50 -1.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 1igz n ASN 258 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1igz n GLY 259 N -1.45 0.43 3.84 7.41 0.00 -1.26 -5.07 105.19 109.09 1igz n GLY 259 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1igz n GLY 259 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1igz s GLU 260 N -0.89 3.01 0.08 1.61 0.41 -0.74 -5.04 118.70 117.14 1igz s GLU 260 Ca 0.00 -0.90 -0.23 0.00 -0.41 0.00 0.00 54.97 53.43 1igz s GLU 260 Cb 0.00 -2.67 -0.07 0.00 -1.78 0.00 0.00 34.13 29.61 1igz s GLU 260 CO 0.00 0.46 0.70 0.08 -0.49 0.00 0.00 175.26 176.01 1igz s VAL 261 N -1.90 4.64 0.19 2.63 1.01 -1.26 -1.42 120.40 124.29 1igz s VAL 261 Ca 0.32 1.51 -0.03 0.00 0.00 0.00 0.00 61.98 63.78 1igz s VAL 261 Cb -0.09 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1igz s VAL 261 CO 0.25 0.47 0.17 -0.31 0.00 0.00 0.00 175.10 175.68 1igz s TYR 262 N -0.66 0.95 0.98 5.22 1.51 -1.04 -4.96 117.35 119.34 1igz s TYR 262 Ca 0.34 -1.22 -0.12 0.00 -1.01 0.00 0.00 57.07 55.06 1igz s TYR 262 Cb -0.21 -0.41 0.18 0.00 -0.11 0.00 0.00 41.96 41.41 1igz s TYR 262 CO 0.22 -0.67 1.08 -2.14 -1.11 0.00 0.00 175.55 172.94 1igz s PRO 263 N -4.11 0.57 0.55 -1.71 0.02 -1.26 -0.44 135.00 128.62 1igz s PRO 263 Ca 0.32 0.78 -0.08 0.00 0.02 0.00 0.00 61.00 62.05 1igz s PRO 263 Cb 0.06 -1.73 -0.03 0.00 0.02 0.00 0.00 34.50 32.81 1igz s PRO 263 CO 0.09 -2.70 0.90 -1.25 -0.33 0.00 0.00 177.00 173.71 1igz s PRO 264 N -4.84 3.50 0.42 5.54 0.04 -1.26 -3.88 135.00 134.52 1igz s PRO 264 Ca 0.65 0.42 0.01 0.00 0.04 0.00 0.00 61.00 62.12 1igz s PRO 264 Cb -0.20 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1igz s PRO 264 CO 0.59 -0.41 0.63 -1.54 0.04 0.00 0.00 177.00 176.31 1igz s SER 265 N -4.16 5.97 0.49 6.66 1.04 -1.26 0.27 113.70 122.71 1igz s SER 265 Ca 0.51 0.31 0.27 0.00 0.48 0.00 0.00 55.95 57.53 1igz s SER 265 Cb -0.11 -1.66 1.35 0.00 0.10 0.00 0.00 66.02 65.70 1igz s SER 265 CO 0.49 -0.58 1.84 0.58 0.98 0.00 0.00 173.24 176.56 1igz h VAL 266 N 0.52 0.54 -0.56 5.02 2.07 -1.11 -1.54 116.25 121.18 1igz h VAL 266 Ca -0.47 -0.05 -0.53 0.00 0.82 0.00 0.00 66.70 66.47 1igz h VAL 266 Cb 1.24 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1igz h VAL 266 CO 0.58 0.03 1.79 -0.62 0.02 0.00 0.00 177.57 179.37 1igz n GLU 267 N -4.36 2.35 0.00 1.57 4.71 -1.26 -0.81 120.64 122.84 1igz n GLU 267 Ca 0.21 -2.77 0.00 0.00 -0.01 0.00 0.00 57.16 54.59 1igz n GLU 267 Cb 0.95 -3.54 0.00 0.00 -1.01 0.00 0.00 31.44 27.84 1igz n GLU 267 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1igz n GLU 268 N 8.08 0.00 -3.28 3.49 0.28 -1.19 -4.96 120.64 123.06 1igz n GLU 268 Ca 0.47 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 57.14 1igz n GLU 268 Cb 0.45 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.28 1igz n GLU 268 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1igz n ALA 269 N 0.00 4.47 -0.22 -1.84 0.00 -0.59 -4.93 120.51 117.40 1igz n ALA 269 Ca 0.00 -4.78 -0.13 0.00 0.00 0.00 0.00 53.44 48.52 1igz n ALA 269 Cb 0.00 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 1igz n ALA 269 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1igz n PRO 270 N 1.07 0.26 -4.20 0.00 -0.04 0.01 -3.87 135.00 128.23 1igz n PRO 270 Ca 0.28 -0.75 -0.17 0.00 -0.04 0.00 0.00 63.50 62.82 1igz n PRO 270 Cb 0.38 -2.19 -0.11 0.00 -0.04 0.00 0.00 33.50 31.54 1igz n PRO 270 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1igz s VAL 271 N 5.28 1.15 0.87 0.52 0.11 -1.26 -5.02 120.40 122.04 1igz s VAL 271 Ca 0.21 -1.53 -0.16 0.00 -2.93 0.00 0.00 61.98 57.56 1igz s VAL 271 Cb 0.05 -1.31 -0.09 0.00 -1.53 0.00 0.00 36.38 33.50 1igz s VAL 271 CO 0.08 -0.37 -0.20 -0.11 -3.33 0.00 0.00 175.10 171.16 1igz n LEU 272 N 0.83 -3.20 0.00 2.54 7.94 -1.26 -4.88 117.00 118.97 1igz n LEU 272 Ca -0.18 0.35 0.00 0.00 -1.11 0.00 0.00 56.01 55.07 1igz n LEU 272 Cb 0.56 -0.95 0.00 0.00 0.53 0.00 0.00 43.42 43.56 1igz n LEU 272 CO 0.25 -4.82 0.00 0.23 -1.11 0.00 0.00 177.39 171.94 1igz n MET 273 N 0.84 0.00 -0.53 1.96 2.81 -1.26 -4.83 117.12 116.11 1igz n MET 273 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1igz n MET 273 Cb 0.53 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.04 1igz n MET 273 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1igz n HIS 274 N 0.00 0.00 -1.72 2.03 8.25 -1.20 -4.95 115.22 117.64 1igz n HIS 274 Ca 0.00 -0.02 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 1igz n HIS 274 Cb 0.00 0.05 0.01 0.00 1.12 0.00 0.00 29.99 31.16 1igz n HIS 274 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1igz n TYR 275 N 0.01 2.36 -1.93 4.41 4.01 -1.26 -4.90 117.16 119.87 1igz n TYR 275 Ca -0.00 0.50 -0.39 0.00 -0.16 0.00 0.00 57.90 57.84 1igz n TYR 275 Cb 0.65 -2.42 0.01 0.00 -0.31 0.00 0.00 39.34 37.27 1igz n TYR 275 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1igz s PRO 276 N -2.16 3.71 -0.79 -0.72 0.04 -1.26 -4.80 135.00 129.02 1igz s PRO 276 Ca 0.59 2.24 -0.24 0.00 0.04 0.00 0.00 61.00 63.63 1igz s PRO 276 Cb -0.51 -2.61 -0.18 0.00 0.04 0.00 0.00 34.50 31.24 1igz s PRO 276 CO 0.60 -0.73 2.44 0.54 0.04 0.00 0.00 177.00 179.88 1igz n ARG 277 N -0.22 0.46 0.06 4.56 1.74 -1.26 -4.11 116.66 117.88 1igz n ARG 277 Ca 0.06 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 1igz n ARG 277 Cb 0.43 -2.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.32 1igz n ARG 277 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1igz n GLY 278 N 6.23 -1.85 2.28 -0.13 0.00 -1.26 -5.04 105.19 105.43 1igz n GLY 278 Ca 0.53 0.46 -0.25 0.00 0.00 0.00 0.00 46.02 46.76 1igz n GLY 278 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1igz n ILE 279 N -2.65 0.44 0.67 -0.61 5.41 -1.26 -4.95 119.36 116.42 1igz n ILE 279 Ca 0.00 -4.46 0.05 0.00 1.00 0.00 0.00 62.75 59.34 1igz n ILE 279 Cb 0.00 -2.01 0.28 0.00 -0.71 0.00 0.00 39.64 37.20 1igz n ILE 279 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1igz n PRO 280 N 1.23 0.33 0.00 0.38 -0.02 -1.26 -4.16 135.00 131.49 1igz n PRO 280 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1igz n PRO 280 Cb 0.48 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1igz n PRO 280 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1igz n PRO 281 N -0.95 0.00 -2.97 0.52 -0.02 -1.26 -4.66 135.00 125.66 1igz n PRO 281 Ca 0.07 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.25 1igz n PRO 281 Cb 0.03 -0.13 -0.04 0.00 -0.02 0.00 0.00 33.50 33.35 1igz n PRO 281 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1igz s GLN 282 N 0.00 3.79 0.00 -0.52 1.03 -1.26 -3.75 119.66 118.95 1igz s GLN 282 Ca 0.00 0.42 0.00 0.00 0.04 0.00 0.00 55.36 55.82 1igz s GLN 282 Cb 0.00 -2.44 0.00 0.00 0.03 0.00 0.00 33.01 30.60 1igz s GLN 282 CO 0.00 0.03 0.00 0.45 -2.54 0.00 0.00 175.29 173.23 1igz n SER 283 N -1.09 -4.35 -3.86 12.60 2.88 -1.26 -4.88 113.62 113.66 1igz n SER 283 Ca 0.02 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.17 1igz n SER 283 Cb 0.54 -2.66 -0.02 0.00 -0.75 0.00 0.00 64.21 61.32 1igz n SER 283 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1igz n GLN 284 N -0.29 3.85 -2.26 -1.46 0.00 -1.25 -5.01 117.38 110.96 1igz n GLN 284 Ca 0.00 -4.58 -0.41 0.00 -0.00 0.00 0.00 57.00 52.01 1igz n GLN 284 Cb 0.32 -2.44 -0.03 0.00 0.00 0.00 0.00 30.24 28.09 1igz n GLN 284 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1igz s MET 285 N -2.60 4.47 -0.03 3.69 -1.94 -1.26 -0.86 119.30 120.78 1igz s MET 285 Ca 0.33 2.04 -0.10 0.00 -1.71 0.00 0.00 55.69 56.26 1igz s MET 285 Cb 0.06 -3.13 -0.05 0.00 2.01 0.00 0.00 34.83 33.73 1igz s MET 285 CO 0.06 -0.04 0.29 0.00 -0.01 0.00 0.00 175.02 175.33 1igz s ALA 286 N -1.06 3.79 0.00 3.03 0.00 0.76 -4.80 121.76 123.48 1igz s ALA 286 Ca 0.48 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1igz s ALA 286 Cb -0.36 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1igz s ALA 286 CO 0.47 0.57 0.00 1.33 0.00 0.00 0.00 175.76 178.13 1igz n VAL 287 N 1.61 0.00 0.00 0.00 0.24 -1.26 -4.12 118.33 114.80 1igz n VAL 287 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1igz n VAL 287 Cb 0.53 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 1igz n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1igz n GLY 288 N 1.74 1.60 3.12 7.63 0.00 -1.25 -4.29 105.19 113.74 1igz n GLY 288 Ca 0.00 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1igz n GLY 288 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1igz s GLN 289 N 0.00 2.00 0.08 1.61 -0.44 -1.22 -3.84 119.66 117.86 1igz s GLN 289 Ca 0.00 -1.76 -0.04 0.00 -2.50 0.00 0.00 55.36 51.06 1igz s GLN 289 Cb 0.00 -3.51 0.11 0.00 -1.64 0.00 0.00 33.01 27.98 1igz s GLN 289 CO 0.00 -1.01 0.48 0.39 0.50 0.00 0.00 175.29 175.66 1igz n GLU 290 N 4.57 -0.05 -0.07 1.67 4.71 -1.26 -0.08 120.64 130.13 1igz n GLU 290 Ca -0.03 0.48 0.09 0.00 -0.01 0.00 0.00 57.16 57.69 1igz n GLU 290 Cb 0.42 -0.72 0.36 0.00 -1.01 0.00 0.00 31.44 30.49 1igz n GLU 290 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1igz n VAL 291 N -4.49 0.17 1.24 2.62 3.14 -1.26 -3.21 118.33 116.55 1igz n VAL 291 Ca 0.04 -0.24 0.01 0.00 -2.96 0.00 0.00 64.34 61.19 1igz n VAL 291 Cb 0.14 0.14 0.06 0.00 -1.06 0.00 0.00 33.84 33.13 1igz n VAL 291 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1igz n PHE 292 N -0.01 0.00 -0.01 1.45 3.01 0.89 -2.11 117.46 120.67 1igz n PHE 292 Ca 0.14 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.61 1igz n PHE 292 Cb 0.23 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.57 1igz n PHE 292 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1igz n GLY 293 N 0.13 -1.10 0.00 1.37 0.00 -1.26 -3.10 105.19 101.24 1igz n GLY 293 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1igz n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1igz n LEU 294 N -2.63 0.00 -3.69 0.99 4.77 -0.90 -4.62 117.00 110.93 1igz n LEU 294 Ca -0.14 0.49 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 1igz n LEU 294 Cb 0.82 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1igz n LEU 294 CO 0.44 -0.47 0.20 -0.76 -1.33 0.00 0.00 177.39 175.46 1igz s LEU 295 N -2.97 -0.16 0.33 2.23 1.43 -1.26 -1.81 118.68 116.47 1igz s LEU 295 Ca 0.00 1.09 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 1igz s LEU 295 Cb 0.00 1.79 0.57 0.00 0.03 0.00 0.00 46.19 48.58 1igz s LEU 295 CO 0.01 -0.19 1.93 -0.65 0.23 0.00 0.00 176.35 177.68 1igz h PRO 296 N 5.95 0.75 -0.16 1.29 0.11 -1.82 -2.65 132.00 135.47 1igz h PRO 296 Ca -0.30 -0.10 0.05 0.00 0.11 0.00 0.00 66.00 65.76 1igz h PRO 296 Cb 1.18 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 32.09 1igz h PRO 296 CO 0.20 0.60 -0.37 0.78 -0.21 0.00 0.00 178.00 179.00 1igz h GLY 297 N 0.86 -0.54 0.94 -0.55 0.00 -1.96 0.81 103.07 102.64 1igz h GLY 297 Ca 0.18 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.95 1igz h GLY 297 CO -0.02 -0.22 -0.17 1.41 0.00 0.00 0.00 176.54 177.54 1igz h LEU 298 N -0.42 -0.42 -0.97 3.11 4.07 -1.82 -2.58 115.31 116.27 1igz h LEU 298 Ca 0.10 0.02 0.11 0.00 0.08 0.00 0.00 57.88 58.19 1igz h LEU 298 Cb 0.58 0.12 -0.08 0.00 1.08 0.00 0.00 40.66 42.36 1igz h LEU 298 CO -0.39 -0.28 0.60 -0.03 -1.08 0.00 0.00 178.44 177.26 1igz h MET 299 N -0.45 0.95 0.08 1.13 4.05 -1.09 -1.05 114.93 118.55 1igz h MET 299 Ca -0.03 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1igz h MET 299 Cb 0.36 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 1igz h MET 299 CO 0.04 0.63 -0.35 1.25 0.23 0.00 0.00 176.91 178.71 1igz h LEU 300 N 0.97 -1.07 -0.61 3.39 5.85 0.10 -0.35 115.31 123.60 1igz h LEU 300 Ca 0.47 0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.42 1igz h LEU 300 Cb 0.43 0.39 -0.09 0.00 0.37 0.00 0.00 40.66 41.77 1igz h LEU 300 CO -0.25 -0.37 0.15 1.88 -0.34 0.00 0.00 178.44 179.50 1igz h TYR 301 N -0.50 0.24 -0.91 1.25 0.05 -1.13 -0.14 116.97 115.84 1igz h TYR 301 Ca -0.00 0.04 0.22 0.00 0.05 0.00 0.00 58.73 59.04 1igz h TYR 301 Cb 0.51 -0.01 -0.13 0.00 1.01 0.00 0.00 36.73 38.11 1igz h TYR 301 CO -0.40 -0.02 0.41 0.00 -1.05 0.00 0.00 178.16 177.10 1igz h ALA 302 N 1.48 1.47 -0.03 3.88 0.00 -0.41 0.22 119.26 125.88 1igz h ALA 302 Ca 0.32 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1igz h ALA 302 Cb 0.48 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1igz h ALA 302 CO -0.40 -0.34 0.00 1.15 0.00 0.00 0.00 179.25 179.66 1igz h THR 303 N 0.41 1.24 -0.34 0.00 2.02 0.63 -2.33 112.91 114.54 1igz h THR 303 Ca 0.57 -0.73 0.06 0.00 0.77 0.00 0.00 66.41 67.08 1igz h THR 303 Cb 1.09 1.68 -0.06 0.00 -1.74 0.00 0.00 68.15 69.13 1igz h THR 303 CO -0.53 0.19 -0.02 0.40 0.37 0.00 0.00 175.52 175.94 1igz h ILE 304 N -0.25 0.73 0.26 3.11 2.04 0.35 -0.27 117.51 123.49 1igz h ILE 304 Ca 0.01 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1igz h ILE 304 Cb 0.31 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1igz h ILE 304 CO 0.00 0.01 -0.13 -0.50 0.00 0.00 0.00 178.15 177.54 1igz h TRP 305 N 0.08 -0.33 -0.76 1.37 4.06 -0.89 -2.35 115.95 117.13 1igz h TRP 305 Ca 0.16 -0.01 0.16 0.00 2.06 0.00 0.00 58.89 61.26 1igz h TRP 305 Cb 0.23 0.11 -0.10 0.00 -1.00 0.00 0.00 29.16 28.39 1igz h TRP 305 CO -0.25 -0.08 0.25 1.25 -3.56 0.00 0.00 178.44 176.04 1igz h LEU 306 N -0.54 0.15 -2.09 -4.49 6.46 -1.16 1.22 115.31 114.86 1igz h LEU 306 Ca -0.04 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1igz h LEU 306 Cb 0.40 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1igz h LEU 306 CO 0.06 0.02 0.00 -0.09 -0.62 0.00 0.00 178.44 177.81 1igz h ARG 307 N 0.35 0.00 0.00 1.25 2.43 -0.91 -2.66 114.38 114.84 1igz h ARG 307 Ca 0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1igz h ARG 307 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1igz h ARG 307 CO -0.47 0.00 -0.04 1.49 -1.51 0.00 0.00 179.97 179.45 1igz h GLU 308 N 0.00 0.00 -0.65 0.20 4.57 0.20 -3.06 114.58 115.84 1igz h GLU 308 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1igz h GLU 308 Cb 0.20 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.71 1igz h GLU 308 CO 0.00 0.00 -0.38 1.58 -1.18 0.00 0.00 179.01 179.03 1igz n HIS 309 N -4.25 -0.29 -0.01 0.92 -0.00 -0.05 0.24 115.22 111.78 1igz n HIS 309 Ca -0.01 0.81 0.16 0.00 0.46 0.00 0.00 57.72 59.15 1igz n HIS 309 Cb 0.02 -0.54 0.62 0.00 -0.12 0.00 0.00 29.99 29.97 1igz n HIS 309 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1igz h ASN 310 N 0.00 0.14 -0.38 0.26 4.21 -1.66 0.18 115.58 118.33 1igz h ASN 310 Ca 0.10 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.54 1igz h ASN 310 Cb 0.27 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 1igz h ASN 310 CO -0.61 0.08 -0.06 -0.09 -1.29 0.00 0.00 177.43 175.45 1igz h ARG 311 N 0.15 0.71 0.09 0.81 2.43 0.32 -2.30 114.38 116.60 1igz h ARG 311 Ca 0.25 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1igz h ARG 311 Cb 0.78 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1igz h ARG 311 CO -0.03 0.85 -0.09 0.28 -1.51 0.00 0.00 179.97 179.46 1igz h VAL 312 N 0.52 0.78 -0.74 0.20 2.07 0.27 -2.64 116.25 116.71 1igz h VAL 312 Ca 0.10 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.78 1igz h VAL 312 Cb 0.57 0.78 -0.12 0.00 -1.52 0.00 0.00 31.29 31.00 1igz h VAL 312 CO 0.03 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.74 1igz h ASP 314 N 0.20 0.90 0.06 0.00 3.45 -1.07 0.24 116.42 120.19 1igz h ASP 314 Ca 0.41 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.88 1igz h ASP 314 Cb 0.73 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 1igz h ASP 314 CO -0.57 0.56 -0.03 -0.07 -1.57 0.00 0.00 179.24 177.56 1igz h LEU 315 N 1.01 -0.07 0.09 1.55 3.38 -0.15 -3.20 115.31 117.91 1igz h LEU 315 Ca 0.41 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1igz h LEU 315 Cb 0.26 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1igz h LEU 315 CO -0.16 0.48 -0.29 -0.07 0.09 0.00 0.00 178.44 178.49 1igz h LEU 316 N -0.66 -0.83 -1.98 1.67 3.38 -0.10 -2.58 115.31 114.21 1igz h LEU 316 Ca -0.01 0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.23 1igz h LEU 316 Cb 0.56 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1igz h LEU 316 CO 0.01 -0.37 0.49 0.11 0.09 0.00 0.00 178.44 178.77 1igz h LYS 317 N -0.49 0.00 0.00 1.13 1.57 -0.65 0.34 116.57 118.47 1igz h LYS 317 Ca 0.04 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 1igz h LYS 317 Cb 0.53 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1igz h LYS 317 CO -0.19 0.00 -0.76 0.00 -0.57 0.00 0.00 179.45 177.93 1igz h ALA 318 N 1.55 0.64 0.00 3.86 0.00 -1.45 -2.60 119.26 121.26 1igz h ALA 318 Ca 0.27 -0.70 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 1igz h ALA 318 Cb 1.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1igz h ALA 318 CO -0.00 0.95 -1.25 1.49 0.00 0.00 0.00 179.25 180.44 1igz h GLU 319 N 0.00 0.00 -2.07 0.00 4.57 -0.40 -3.40 114.58 113.28 1igz h GLU 319 Ca -0.01 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.60 1igz h GLU 319 Cb 1.43 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.62 1igz h GLU 319 CO 0.10 0.63 -0.91 0.72 -1.18 0.00 0.00 179.01 178.36 1igz n HIS 320 N -3.14 1.16 -0.35 0.92 8.25 0.84 -4.94 115.22 117.95 1igz n HIS 320 Ca -0.07 -3.79 0.08 0.00 -0.26 0.00 0.00 57.72 53.68 1igz n HIS 320 Cb 0.93 -0.43 0.25 0.00 1.12 0.00 0.00 29.99 31.86 1igz n HIS 320 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1igz h PRO 321 N 4.06 0.88 -0.10 -0.41 0.13 -1.68 -0.38 132.00 134.50 1igz h PRO 321 Ca 0.12 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1igz h PRO 321 Cb 0.80 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1igz h PRO 321 CO 0.60 0.58 0.00 0.25 -0.23 0.00 0.00 178.00 179.21 1igz n THR 322 N -4.68 0.00 -3.26 1.56 -2.24 -1.26 -4.83 114.28 99.57 1igz n THR 322 Ca 0.19 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.63 1igz n THR 322 Cb 0.40 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 1igz n THR 322 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1igz s TRP 323 N -1.82 3.52 0.00 4.78 0.52 -0.15 -5.10 118.94 120.68 1igz s TRP 323 Ca 0.00 1.13 0.00 0.00 0.02 0.00 0.00 56.10 57.25 1igz s TRP 323 Cb 0.00 -2.44 0.00 0.00 -1.15 0.00 0.00 33.47 29.88 1igz s TRP 323 CO 0.00 0.29 0.00 0.41 0.02 0.00 0.00 176.95 177.67 1igz n GLY 324 N 0.28 -0.68 0.09 0.98 0.00 -1.26 -4.94 105.19 99.66 1igz n GLY 324 Ca -0.01 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 1igz n GLY 324 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1igz h ASP 325 N 0.00 0.00 -1.00 1.61 3.58 -1.96 -3.22 116.42 115.43 1igz h ASP 325 Ca 0.00 -0.32 0.36 0.00 0.42 0.00 0.00 57.03 57.49 1igz h ASP 325 Cb 0.00 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 40.89 1igz h ASP 325 CO 0.00 1.11 0.52 -0.33 -2.88 0.00 0.00 179.24 177.66 1igz h GLU 326 N -1.00 0.16 0.04 0.28 4.39 -1.97 0.01 114.58 116.49 1igz h GLU 326 Ca -0.17 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.52 1igz h GLU 326 Cb 0.89 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1igz h GLU 326 CO -0.10 0.10 -0.02 0.37 -1.16 0.00 0.00 179.01 178.20 1igz h GLN 327 N 0.16 -0.06 -1.69 2.33 4.15 -1.97 -1.46 115.11 116.58 1igz h GLN 327 Ca 0.77 0.00 0.49 0.00 0.77 0.00 0.00 58.65 60.69 1igz h GLN 327 Cb 1.89 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 29.52 1igz h GLN 327 CO -0.70 -0.04 1.21 1.28 -1.93 0.00 0.00 178.83 178.66 1igz n LEU 328 N -2.29 0.01 0.00 -2.39 4.77 -0.84 -0.81 117.00 115.45 1igz n LEU 328 Ca -0.01 0.87 0.00 0.00 -0.03 0.00 0.00 56.01 56.84 1igz n LEU 328 Cb 0.02 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1igz n LEU 328 CO 0.02 -0.87 0.05 0.33 -1.33 0.00 0.00 177.39 175.59 1igz n PHE 329 N -3.68 0.00 -0.31 -1.77 7.35 -0.07 -2.97 117.46 116.01 1igz n PHE 329 Ca 0.38 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 57.22 1igz n PHE 329 Cb 1.73 -0.23 0.31 0.00 0.35 0.00 0.00 39.48 41.64 1igz n PHE 329 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1igz h GLN 330 N 0.00 0.10 0.27 -4.13 1.08 0.05 0.33 115.11 112.81 1igz h GLN 330 Ca 0.00 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1igz h GLN 330 Cb 0.00 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1igz h GLN 330 CO 0.00 0.07 -0.13 1.15 -0.95 0.00 0.00 178.83 178.97 1igz h THR 331 N 0.11 0.76 -0.44 -0.54 2.02 -1.16 -1.79 112.91 111.86 1igz h THR 331 Ca 0.59 -0.12 0.06 0.00 0.77 0.00 0.00 66.41 67.71 1igz h THR 331 Cb 1.24 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1igz h THR 331 CO -0.76 0.03 0.30 0.00 0.37 0.00 0.00 175.52 175.45 1igz h ALA 332 N 0.30 1.98 0.65 6.16 0.00 -0.98 -2.28 119.26 125.09 1igz h ALA 332 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1igz h ALA 332 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1igz h ALA 332 CO 0.06 -0.06 -0.35 -0.09 0.00 0.00 0.00 179.25 178.81 1igz h ARG 333 N 0.34 -0.89 -1.17 0.00 2.43 -0.20 -2.40 114.38 112.49 1igz h ARG 333 Ca 0.19 0.06 0.34 0.00 -0.81 0.00 0.00 59.98 59.76 1igz h ARG 333 Cb 0.34 0.20 -0.10 0.00 -0.42 0.00 0.00 29.97 29.99 1igz h ARG 333 CO -0.04 -0.59 0.76 -0.07 -1.51 0.00 0.00 179.97 178.51 1igz h LEU 334 N -0.92 0.33 -0.44 3.80 3.38 -1.06 1.41 115.31 121.80 1igz h LEU 334 Ca -0.09 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1igz h LEU 334 Cb 0.72 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1igz h LEU 334 CO 0.12 -0.02 0.00 -0.38 0.09 0.00 0.00 178.44 178.25 1igz n ILE 335 N -4.60 1.10 -0.09 1.22 5.41 -0.89 -0.60 119.36 120.92 1igz n ILE 335 Ca 0.30 0.35 -0.09 0.00 1.00 0.00 0.00 62.75 64.30 1igz n ILE 335 Cb 1.13 -1.23 -0.14 0.00 -0.71 0.00 0.00 39.64 38.69 1igz n ILE 335 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1igz n LEU 336 N -1.86 0.21 0.29 1.39 4.77 0.47 -2.46 117.00 119.81 1igz n LEU 336 Ca 0.02 -0.01 0.18 0.00 -0.03 0.00 0.00 56.01 56.17 1igz n LEU 336 Cb 0.15 0.35 0.77 0.00 -2.33 0.00 0.00 43.42 42.35 1igz n LEU 336 CO 0.13 0.46 1.02 0.40 -1.33 0.00 0.00 177.39 178.07 1igz h ILE 337 N 0.00 0.05 0.00 -0.08 2.04 -0.37 0.79 117.51 119.94 1igz h ILE 337 Ca -0.47 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1igz h ILE 337 Cb 2.05 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 1igz h ILE 337 CO 0.02 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.79 1igz n GLY 338 N -0.18 -0.42 0.28 5.37 0.00 0.23 -3.20 105.19 107.28 1igz n GLY 338 Ca -0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1igz n GLY 338 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1igz n GLU 339 N -2.03 -0.06 0.46 1.61 1.02 -1.03 -0.17 120.64 120.44 1igz n GLU 339 Ca 0.00 1.20 -0.19 0.00 -0.02 0.00 0.00 57.16 58.15 1igz n GLU 339 Cb 0.00 -1.99 -0.09 0.00 -0.02 0.00 0.00 31.44 29.33 1igz n GLU 339 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1igz h THR 340 N 0.00 0.12 -0.41 2.62 2.02 -1.00 -1.26 112.91 114.99 1igz h THR 340 Ca 0.57 -0.05 0.12 0.00 0.77 0.00 0.00 66.41 67.82 1igz h THR 340 Cb 1.30 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1igz h THR 340 CO -0.73 0.00 0.37 0.40 0.37 0.00 0.00 175.52 175.93 1igz h ILE 341 N -1.21 0.52 0.10 3.11 2.04 -0.53 0.27 117.51 121.82 1igz h ILE 341 Ca -0.12 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1igz h ILE 341 Cb 0.90 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1igz h ILE 341 CO 0.20 0.00 -0.05 0.50 0.00 0.00 0.00 178.15 178.80 1igz h LYS 342 N 0.00 -0.13 -0.65 2.37 3.64 -0.74 -2.90 116.57 118.17 1igz h LYS 342 Ca 0.19 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1igz h LYS 342 Cb 0.93 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1igz h LYS 342 CO -0.00 0.38 0.20 0.82 -2.27 0.00 0.00 179.45 178.58 1igz h ILE 343 N -0.87 1.25 -0.45 2.00 2.04 -0.57 -0.19 117.51 120.72 1igz h ILE 343 Ca -0.01 -0.85 0.09 0.00 1.00 0.00 0.00 64.86 65.08 1igz h ILE 343 Cb 0.57 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1igz h ILE 343 CO 0.02 0.33 0.31 0.58 0.00 0.00 0.00 178.15 179.39 1igz h VAL 344 N 0.93 0.89 0.00 1.67 2.07 -0.59 -1.32 116.25 119.90 1igz h VAL 344 Ca 0.21 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1igz h VAL 344 Cb 0.29 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1igz h VAL 344 CO -0.01 0.04 -0.35 0.40 0.02 0.00 0.00 177.57 177.67 1igz h ILE 345 N 0.22 0.00 0.00 4.57 2.04 -1.16 -1.40 117.51 121.78 1igz h ILE 345 Ca 0.21 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1igz h ILE 345 Cb 0.52 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1igz h ILE 345 CO -0.04 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.49 1igz n GLU 346 N -4.08 0.68 0.00 2.37 1.02 -0.15 -3.29 120.64 117.20 1igz n GLU 346 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1igz n GLU 346 Cb 0.18 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1igz n GLU 346 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1igz n GLU 347 N -0.59 0.00 0.13 3.49 1.02 -0.78 -4.74 120.64 119.16 1igz n GLU 347 Ca 0.03 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.12 1igz n GLU 347 Cb 0.01 -0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.41 1igz n GLU 347 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1igz h TYR 348 N 0.00 -0.32 0.00 -0.32 3.20 -1.23 -2.39 116.97 115.91 1igz h TYR 348 Ca 0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1igz h TYR 348 Cb 0.00 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1igz h TYR 348 CO 0.00 -0.20 -0.11 0.28 -1.64 0.00 0.00 178.16 176.49 1igz h VAL 349 N -0.39 0.68 0.56 1.81 2.07 -1.34 -2.60 116.25 117.04 1igz h VAL 349 Ca -0.03 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1igz h VAL 349 Cb 0.26 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1igz h VAL 349 CO 0.06 0.11 -0.30 -0.61 0.02 0.00 0.00 177.57 176.85 1igz h GLN 350 N 0.00 -0.76 -0.16 1.57 5.75 -1.53 0.14 115.11 120.11 1igz h GLN 350 Ca -0.00 0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.60 1igz h GLN 350 Cb 0.28 0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.95 1igz h GLN 350 CO 0.01 -0.51 -0.15 0.37 -2.65 0.00 0.00 178.83 175.90 1igz h GLN 351 N -0.79 -0.17 -0.39 1.69 5.75 -1.13 -2.53 115.11 117.53 1igz h GLN 351 Ca -0.07 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.50 1igz h GLN 351 Cb 0.62 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.15 1igz h GLN 351 CO 0.11 -0.11 0.05 1.25 -2.65 0.00 0.00 178.83 177.47 1igz h LEU 352 N -0.18 -0.06 0.17 -2.39 5.85 -1.29 -3.17 115.31 114.25 1igz h LEU 352 Ca 0.11 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1igz h LEU 352 Cb 0.33 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1igz h LEU 352 CO -0.27 0.01 -0.35 0.77 -0.34 0.00 0.00 178.44 178.26 1igz h SER 353 N 0.17 -0.99 0.00 1.25 4.64 -0.30 -3.45 113.55 114.86 1igz h SER 353 Ca 0.19 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1igz h SER 353 Cb 0.25 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1igz h SER 353 CO -0.28 -0.44 0.00 0.61 -0.87 0.00 0.00 176.83 175.85 1igz n GLY 354 N -1.44 0.52 3.83 -0.77 0.00 -1.06 -5.03 105.19 101.24 1igz n GLY 354 Ca -0.07 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 1igz n GLY 354 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1igz s TYR 355 N -2.00 3.36 -0.21 1.61 4.12 -1.26 -4.64 117.35 118.33 1igz s TYR 355 Ca 0.00 1.50 0.22 0.00 0.02 0.00 0.00 57.07 58.80 1igz s TYR 355 Cb 0.00 -2.77 -0.03 0.00 -1.52 0.00 0.00 41.96 37.63 1igz s TYR 355 CO 0.00 -0.14 0.99 1.19 0.02 0.00 0.00 175.55 177.62 1igz n PHE 356 N -0.84 0.95 -2.19 2.71 3.72 -0.39 -4.78 117.46 116.65 1igz n PHE 356 Ca 0.06 0.28 -0.42 0.00 -0.05 0.00 0.00 57.45 57.33 1igz n PHE 356 Cb 0.54 -0.97 -0.03 0.00 -0.94 0.00 0.00 39.48 38.08 1igz n PHE 356 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1igz s LEU 357 N -5.40 4.40 -0.98 4.37 2.96 -1.26 -4.83 118.68 117.95 1igz s LEU 357 Ca -0.01 2.40 -0.17 0.00 -0.22 0.00 0.00 54.13 56.13 1igz s LEU 357 Cb 0.10 -3.60 0.15 0.00 0.50 0.00 0.00 46.19 43.34 1igz s LEU 357 CO 0.80 -0.57 1.14 -1.58 -1.32 0.00 0.00 176.35 174.81 1igz s GLN 358 N 0.22 3.71 0.55 1.98 0.74 -1.26 -5.02 119.66 120.58 1igz s GLN 358 Ca 0.59 -2.05 -0.18 0.00 0.05 0.00 0.00 55.36 53.77 1igz s GLN 358 Cb -0.37 -4.87 -0.14 0.00 1.10 0.00 0.00 33.01 28.73 1igz s GLN 358 CO 0.36 -1.69 -0.06 1.28 -0.55 0.00 0.00 175.29 174.63 1igz n LEU 359 N 5.93 -3.07 -3.74 3.68 4.77 -1.26 -4.99 117.00 118.32 1igz n LEU 359 Ca 0.25 0.64 -0.13 0.00 -0.03 0.00 0.00 56.01 56.74 1igz n LEU 359 Cb 0.47 -0.90 -0.10 0.00 -2.33 0.00 0.00 43.42 40.56 1igz n LEU 359 CO 0.50 -4.57 0.05 -0.75 -1.33 0.00 0.00 177.39 171.29 1igz s LYS 360 N -1.25 0.48 -0.41 3.23 2.20 -1.26 -4.71 119.74 118.02 1igz s LYS 360 Ca 0.58 0.41 -0.12 0.00 -0.36 0.00 0.00 55.97 56.48 1igz s LYS 360 Cb -0.47 0.23 0.04 0.00 -1.51 0.00 0.00 37.83 36.12 1igz s LYS 360 CO 0.65 -0.08 0.27 0.12 -0.36 0.00 0.00 175.35 175.96 1igz s PHE 361 N -0.05 3.26 -0.36 4.03 5.36 -1.26 -4.97 117.98 123.99 1igz s PHE 361 Ca -0.02 -0.96 0.04 0.00 -0.96 0.00 0.00 56.93 55.02 1igz s PHE 361 Cb -0.03 -2.69 0.16 0.00 -0.34 0.00 0.00 43.02 40.12 1igz s PHE 361 CO 0.01 -0.70 0.42 0.34 -1.46 0.00 0.00 175.22 173.84 1igz s ASP 362 N 1.86 0.56 0.53 6.13 2.15 -1.26 -5.03 116.67 121.62 1igz s ASP 362 Ca 0.03 -1.19 0.41 0.00 0.43 0.00 0.00 52.55 52.24 1igz s ASP 362 Cb -0.21 0.91 1.60 0.00 -0.30 0.00 0.00 42.92 44.93 1igz s ASP 362 CO 0.07 -0.27 1.69 -0.65 -0.17 0.00 0.00 175.17 175.84 1igz h PRO 363 N 7.30 0.02 0.00 4.34 0.11 -1.94 -0.54 132.00 141.30 1igz h PRO 363 Ca 0.02 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1igz h PRO 363 Cb 1.09 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1igz h PRO 363 CO 0.20 0.02 -0.01 0.93 -0.21 0.00 0.00 178.00 178.93 1igz h GLU 364 N 0.02 0.00 0.00 1.05 5.08 -1.96 -2.57 114.58 116.21 1igz h GLU 364 Ca 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.10 1igz h GLU 364 Cb 2.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.14 1igz h GLU 364 CO -0.06 0.01 0.00 1.28 -1.00 0.00 0.00 179.01 179.24 1igz n LEU 365 N -3.74 0.26 -0.25 1.33 4.77 -0.21 -1.36 117.00 117.80 1igz n LEU 365 Ca -0.03 0.62 0.04 0.00 -0.03 0.00 0.00 56.01 56.62 1igz n LEU 365 Cb 0.09 -0.65 0.01 0.00 -2.33 0.00 0.00 43.42 40.54 1igz n LEU 365 CO 0.27 -0.70 0.26 0.18 -1.33 0.00 0.00 177.39 176.07 1igz n LEU 366 N -1.85 1.33 0.03 2.23 4.77 -0.97 -4.54 117.00 118.00 1igz n LEU 366 Ca -0.01 -0.84 0.03 0.00 -0.03 0.00 0.00 56.01 55.16 1igz n LEU 366 Cb 0.02 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.25 1igz n LEU 366 CO 0.05 0.27 0.59 0.49 -1.33 0.00 0.00 177.39 177.45 1igz n PHE 367 N -0.03 0.13 0.80 -1.77 0.99 -0.47 -0.67 117.46 116.44 1igz n PHE 367 Ca 0.04 0.07 0.09 0.00 -0.00 0.00 0.00 57.45 57.64 1igz n PHE 367 Cb 0.20 -0.61 -0.03 0.00 -1.00 0.00 0.00 39.48 38.04 1igz n PHE 367 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1igz n GLY 368 N -1.27 -0.20 4.02 1.37 0.00 -1.26 -5.01 105.19 102.85 1igz n GLY 368 Ca 0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 1igz n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1igz s ALA 369 N -2.24 4.60 -0.50 4.61 0.00 0.15 -5.06 121.76 123.33 1igz s ALA 369 Ca 0.12 -1.89 -0.17 0.00 0.00 0.00 0.00 51.96 50.03 1igz s ALA 369 Cb 0.14 -1.56 0.08 0.00 0.00 0.00 0.00 23.12 21.78 1igz s ALA 369 CO 0.53 -0.56 0.50 -0.65 0.00 0.00 0.00 175.76 175.58 1igz s GLN 370 N -4.51 3.02 -0.00 0.00 -0.21 -1.26 -5.03 119.66 111.67 1igz s GLN 370 Ca 0.58 -1.29 0.01 0.00 0.02 0.00 0.00 55.36 54.68 1igz s GLN 370 Cb -0.08 -4.16 0.00 0.00 1.00 0.00 0.00 33.01 29.77 1igz s GLN 370 CO 0.36 -1.17 -0.02 0.12 -2.12 0.00 0.00 175.29 172.46 1igz s PHE 371 N 1.97 0.20 -0.26 0.91 5.36 -1.26 -5.10 117.98 119.81 1igz s PHE 371 Ca 0.07 -0.03 -0.16 0.00 -0.96 0.00 0.00 56.93 55.86 1igz s PHE 371 Cb -0.24 -0.15 -0.04 0.00 -0.34 0.00 0.00 43.02 42.26 1igz s PHE 371 CO 0.07 -0.02 0.41 -0.65 -1.46 0.00 0.00 175.22 173.57 1igz s GLN 372 N 0.07 4.05 -1.39 10.12 -1.52 -1.26 -4.97 119.66 124.76 1igz s GLN 372 Ca -0.00 0.13 -0.09 0.00 -1.95 0.00 0.00 55.36 53.44 1igz s GLN 372 Cb -0.02 -3.63 0.08 0.00 -0.22 0.00 0.00 33.01 29.21 1igz s GLN 372 CO -0.00 -0.25 2.30 0.66 -0.25 0.00 0.00 175.29 177.74 1igz n TYR 373 N 5.23 2.86 -3.67 0.91 4.02 -1.26 -4.70 117.16 120.54 1igz n TYR 373 Ca -0.07 -2.89 -0.11 0.00 -0.01 0.00 0.00 57.90 54.81 1igz n TYR 373 Cb 0.51 -2.14 -0.09 0.00 -0.02 0.00 0.00 39.34 37.60 1igz n TYR 373 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1igz s ARG 374 N 0.86 0.61 0.21 -0.72 3.52 -0.80 -4.43 118.95 118.20 1igz s ARG 374 Ca 0.51 0.92 0.04 0.00 -0.13 0.00 0.00 55.73 57.07 1igz s ARG 374 Cb 0.15 0.19 -0.05 0.00 -1.56 0.00 0.00 34.95 33.67 1igz s ARG 374 CO -0.05 -0.12 -0.04 1.21 -0.81 0.00 0.00 175.30 175.48 1igz s ASN 375 N 0.96 1.94 -0.27 -2.12 3.04 -1.26 -4.92 114.94 112.30 1igz s ASN 375 Ca -0.05 -1.15 0.00 0.00 0.04 0.00 0.00 52.86 51.70 1igz s ASN 375 Cb -0.05 -0.02 0.16 0.00 -1.54 0.00 0.00 41.25 39.79 1igz s ASN 375 CO -0.08 -0.43 0.44 -0.60 -3.04 0.00 0.00 177.10 173.38 1igz s ARG 376 N -3.81 0.42 0.31 0.43 6.06 -1.26 -4.77 118.95 116.33 1igz s ARG 376 Ca 0.25 0.40 -0.28 0.00 -2.50 0.00 0.00 55.73 53.61 1igz s ARG 376 Cb 0.04 -0.22 -0.14 0.00 0.06 0.00 0.00 34.95 34.70 1igz s ARG 376 CO 0.07 -0.85 1.05 -0.89 -2.50 0.00 0.00 175.30 172.17 1igz n ILE 377 N 5.37 2.02 -4.08 4.11 2.08 -1.26 -4.68 119.36 122.92 1igz n ILE 377 Ca -0.01 -0.50 -0.22 0.00 0.56 0.00 0.00 62.75 62.58 1igz n ILE 377 Cb 0.50 -1.09 -0.05 0.00 -0.75 0.00 0.00 39.64 38.26 1igz n ILE 377 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1igz s ALA 378 N -1.08 3.58 0.16 -1.39 0.00 -1.26 -1.89 121.76 119.88 1igz s ALA 378 Ca 0.58 -1.51 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 1igz s ALA 378 Cb -0.67 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.25 1igz s ALA 378 CO 0.60 0.20 1.42 0.00 0.00 0.00 0.00 175.76 177.98 1igz h MET 379 N 1.49 0.60 -0.47 0.00 -0.00 -1.60 -2.03 114.93 112.92 1igz h MET 379 Ca -0.47 -0.45 -0.08 0.00 -0.00 0.00 0.00 59.70 58.70 1igz h MET 379 Cb 1.24 0.08 -0.02 0.00 -0.00 0.00 0.00 31.60 32.90 1igz h MET 379 CO 0.60 1.07 -0.03 0.93 -0.00 0.00 0.00 176.91 179.48 1igz h GLU 380 N 0.43 0.81 -0.60 -0.10 3.07 -1.96 0.46 114.58 116.69 1igz h GLU 380 Ca -0.02 -0.23 -0.05 0.00 -0.50 0.00 0.00 59.36 58.55 1igz h GLU 380 Cb 1.26 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.06 1igz h GLU 380 CO 0.13 0.83 0.16 0.35 -1.40 0.00 0.00 179.01 179.08 1igz h PHE 381 N 0.74 0.98 0.42 4.33 3.57 -1.89 -1.27 116.94 123.83 1igz h PHE 381 Ca 0.14 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1igz h PHE 381 Cb 0.50 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1igz h PHE 381 CO 0.03 0.83 -0.26 -0.97 -2.23 0.00 0.00 178.31 175.70 1igz h ASN 382 N 0.86 -0.66 -0.85 0.41 -0.73 -0.83 -2.06 115.58 111.72 1igz h ASN 382 Ca 0.19 0.04 0.11 0.00 1.87 0.00 0.00 56.30 58.51 1igz h ASN 382 Cb 0.33 0.19 -0.13 0.00 0.27 0.00 0.00 38.32 38.98 1igz h ASN 382 CO -0.00 -0.40 -0.47 1.56 -0.37 0.00 0.00 177.43 177.75 1igz h GLN 383 N -0.64 -0.08 -0.94 6.67 1.08 -0.85 -0.35 115.11 120.01 1igz h GLN 383 Ca -0.06 0.01 0.24 0.00 -1.45 0.00 0.00 58.65 57.39 1igz h GLN 383 Cb 0.51 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.90 1igz h GLN 383 CO 0.06 -0.05 0.64 1.25 -0.95 0.00 0.00 178.83 179.78 1igz h LEU 384 N -0.08 0.23 -0.69 1.46 6.46 -1.13 -1.30 115.31 120.26 1igz h LEU 384 Ca 0.23 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1igz h LEU 384 Cb 0.53 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1igz h LEU 384 CO -0.87 0.07 0.00 0.00 -0.62 0.00 0.00 178.44 177.02 1igz n TYR 385 N -4.41 0.16 -1.81 1.25 -0.00 -0.14 -4.62 117.16 107.57 1igz n TYR 385 Ca 0.20 -0.08 -0.41 0.00 -0.00 0.00 0.00 57.90 57.61 1igz n TYR 385 Cb 0.87 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 40.19 1igz n TYR 385 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 1igz n HIS 386 N -0.07 3.30 -1.77 2.98 8.25 -0.49 -4.78 115.22 122.62 1igz n HIS 386 Ca 0.14 -2.50 -0.34 0.00 -0.26 0.00 0.00 57.72 54.76 1igz n HIS 386 Cb 0.22 -2.38 -0.03 0.00 1.12 0.00 0.00 29.99 28.92 1igz n HIS 386 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1igz n TRP 387 N 7.83 2.12 0.24 4.41 8.01 -1.26 -4.72 117.44 134.07 1igz n TRP 387 Ca 0.50 -2.37 0.08 0.00 -1.31 0.00 0.00 57.50 54.40 1igz n TRP 387 Cb 0.42 -1.58 0.60 0.00 -2.01 0.00 0.00 31.31 28.74 1igz n TRP 387 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1igz h HIS 388 N 3.77 0.00 0.00 -5.99 3.86 -1.96 -2.81 115.15 112.03 1igz h HIS 388 Ca 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 1igz h HIS 388 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1igz h HIS 388 CO 1.52 0.16 0.00 -0.35 0.86 0.00 0.00 177.93 180.12 1igz n PRO 389 N -4.03 0.27 0.23 2.45 -0.04 -1.26 -2.23 135.00 130.40 1igz n PRO 389 Ca -0.02 0.09 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 1igz n PRO 389 Cb 0.25 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 32.76 1igz n PRO 389 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1igz h LEU 390 N 0.00 0.00 -9.70 1.53 3.38 -1.66 -3.31 115.31 105.55 1igz h LEU 390 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1igz h LEU 390 Cb 0.05 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.85 1igz h LEU 390 CO 0.00 0.22 0.77 -0.04 0.09 0.00 0.00 178.44 179.48 1igz s MET 391 N -4.05 4.27 0.00 1.13 -1.94 -0.94 -0.57 119.30 117.20 1igz s MET 391 Ca -0.02 2.27 0.00 0.00 -1.71 0.00 0.00 55.69 56.23 1igz s MET 391 Cb 0.13 -3.14 0.00 0.00 2.01 0.00 0.00 34.83 33.83 1igz s MET 391 CO 0.64 -0.44 0.00 -0.35 -0.01 0.00 0.00 175.02 174.86 1igz n PRO 392 N 2.77 1.57 -0.09 2.03 -0.04 -1.26 -4.60 135.00 135.37 1igz n PRO 392 Ca 0.08 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 1igz n PRO 392 Cb 0.40 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.78 1igz n PRO 392 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1igz n ASP 393 N 0.00 2.08 -1.77 3.54 10.43 -1.26 -4.71 116.55 124.85 1igz n ASP 393 Ca 0.00 0.04 -0.06 0.00 2.57 0.00 0.00 54.79 57.35 1igz n ASP 393 Cb 0.00 -0.41 -0.02 0.00 1.84 0.00 0.00 41.12 42.53 1igz n ASP 393 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1igz n SER 394 N -3.39 0.32 -3.79 -2.24 3.41 -1.26 -4.62 113.62 102.06 1igz n SER 394 Ca -0.35 -1.55 -0.28 0.00 -0.26 0.00 0.00 58.87 56.43 1igz n SER 394 Cb 0.81 0.35 -0.16 0.00 -0.26 0.00 0.00 64.21 64.95 1igz n SER 394 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1igz s PHE 395 N -2.16 1.38 -0.08 7.33 0.40 0.57 -5.02 117.98 120.40 1igz s PHE 395 Ca 0.08 -1.08 -0.25 0.00 -0.60 0.00 0.00 56.93 55.08 1igz s PHE 395 Cb 0.00 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.34 1igz s PHE 395 CO 0.06 -0.65 0.78 -0.98 0.70 0.00 0.00 175.22 175.12 1igz s ARG 396 N 1.74 4.42 -0.42 0.44 3.03 -1.26 -1.78 118.95 125.12 1igz s ARG 396 Ca -0.02 0.99 0.02 0.00 2.03 0.00 0.00 55.73 58.75 1igz s ARG 396 Cb -0.17 -3.48 0.14 0.00 -1.03 0.00 0.00 34.95 30.40 1igz s ARG 396 CO -0.07 -0.05 0.24 0.08 -1.13 0.00 0.00 175.30 174.36 1igz s VAL 397 N 1.17 1.08 0.00 4.99 1.01 -1.11 -4.74 120.40 122.80 1igz s VAL 397 Ca 0.40 -2.37 0.00 0.00 0.00 0.00 0.00 61.98 60.01 1igz s VAL 397 Cb -0.18 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1igz s VAL 397 CO 0.18 -0.93 0.00 0.61 0.00 0.00 0.00 175.10 174.96 1igz n GLY 398 N 3.63 3.51 0.08 4.51 0.00 -1.26 -2.12 105.19 113.54 1igz n GLY 398 Ca 0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 1igz n GLY 398 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1igz h PRO 399 N 0.00 0.00 -7.12 1.61 0.13 -2.01 -3.46 132.00 121.14 1igz h PRO 399 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.70 1igz h PRO 399 Cb 0.00 0.00 0.22 0.00 0.13 0.00 0.00 31.00 31.35 1igz h PRO 399 CO 0.00 0.54 -0.02 -0.65 -0.23 0.00 0.00 178.00 177.64 1igz s GLN 400 N -2.71 -1.19 -0.47 0.86 1.11 -0.90 -5.01 119.66 111.34 1igz s GLN 400 Ca -0.03 0.85 0.06 0.00 0.01 0.00 0.00 55.36 56.26 1igz s GLN 400 Cb 0.08 -1.52 0.26 0.00 -1.01 0.00 0.00 33.01 30.82 1igz s GLN 400 CO 0.82 -3.91 0.88 -3.47 0.01 0.00 0.00 175.29 169.62 1igz n ASP 401 N -5.05 -2.41 -4.65 5.90 2.03 -1.26 -2.76 116.55 108.34 1igz n ASP 401 Ca 0.02 -3.30 -0.42 0.00 0.52 0.00 0.00 54.79 51.61 1igz n ASP 401 Cb 0.54 1.53 0.00 0.00 -0.72 0.00 0.00 41.12 42.47 1igz n ASP 401 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1igz n TYR 402 N 1.39 1.73 -3.30 -0.67 4.01 -0.73 -4.62 117.16 114.97 1igz n TYR 402 Ca 0.10 0.57 -0.19 0.00 -0.16 0.00 0.00 57.90 58.22 1igz n TYR 402 Cb 0.63 -2.32 -0.01 0.00 -0.31 0.00 0.00 39.34 37.33 1igz n TYR 402 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1igz s SER 403 N -0.53 5.43 0.32 7.72 1.04 -1.26 -0.32 113.70 126.10 1igz s SER 403 Ca 0.60 -0.53 0.10 0.00 0.48 0.00 0.00 55.95 56.60 1igz s SER 403 Cb -0.58 -0.69 0.92 0.00 0.10 0.00 0.00 66.02 65.78 1igz s SER 403 CO 0.59 -0.67 1.70 1.88 0.98 0.00 0.00 173.24 177.72 1igz h TYR 404 N 0.84 0.92 -0.16 5.02 0.99 -1.96 0.20 116.97 122.83 1igz h TYR 404 Ca -0.41 0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.37 1igz h TYR 404 Cb 1.27 -0.25 -0.02 0.00 1.00 0.00 0.00 36.73 38.74 1igz h TYR 404 CO 0.45 -0.04 0.06 0.93 -0.00 0.00 0.00 178.16 179.57 1igz h GLU 405 N 0.47 0.13 -0.05 4.88 4.39 -1.94 0.65 114.58 123.11 1igz h GLU 405 Ca 0.66 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 60.23 1igz h GLU 405 Cb 1.34 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1igz h GLU 405 CO -0.53 0.09 -0.53 1.96 -1.16 0.00 0.00 179.01 178.84 1igz h GLN 406 N 0.14 0.13 0.00 2.33 4.20 -1.36 -3.37 115.11 117.18 1igz h GLN 406 Ca 0.07 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1igz h GLN 406 Cb 0.03 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1igz h GLN 406 CO -0.06 0.63 -0.09 0.35 -0.67 0.00 0.00 178.83 178.99 1igz h PHE 407 N 0.11 0.00 -3.03 2.96 3.57 -0.15 -3.38 116.94 117.01 1igz h PHE 407 Ca 0.00 0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.92 1igz h PHE 407 Cb 0.97 0.00 0.15 0.00 2.79 0.00 0.00 35.95 39.86 1igz h PHE 407 CO 0.01 0.00 -0.06 1.28 -2.23 0.00 0.00 178.31 177.31 1igz n LEU 408 N -4.64 2.01 0.00 0.59 4.77 0.22 -1.49 117.00 118.46 1igz n LEU 408 Ca -0.01 0.90 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 1igz n LEU 408 Cb 0.05 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 1igz n LEU 408 CO 0.02 -2.14 0.00 0.49 -1.33 0.00 0.00 177.39 174.43 1igz n PHE 409 N -1.08 0.00 -0.62 -1.77 3.01 -0.75 -4.88 117.46 111.37 1igz n PHE 409 Ca 0.11 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.27 1igz n PHE 409 Cb 0.43 -0.87 0.20 0.00 -0.01 0.00 0.00 39.48 39.23 1igz n PHE 409 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1igz n ASN 410 N 1.55 -1.58 -0.23 4.37 2.85 -0.55 -4.95 115.26 116.72 1igz n ASN 410 Ca 0.00 0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1igz n ASN 410 Cb 0.10 -1.21 0.00 0.00 1.24 0.00 0.00 39.78 39.91 1igz n ASN 410 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1igz n THR 411 N -4.49 0.00 -0.01 -0.44 -2.24 -1.26 -4.79 114.28 101.05 1igz n THR 411 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1igz n THR 411 Cb 0.56 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1igz n THR 411 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1igz n SER 412 N 0.00 0.00 -0.31 3.42 3.41 -1.26 -4.83 113.62 114.04 1igz n SER 412 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1igz n SER 412 Cb 0.58 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.60 1igz n SER 412 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1igz h MET 413 N 0.00 -0.03 -0.27 4.33 -1.53 -1.97 2.01 114.93 117.48 1igz h MET 413 Ca 0.00 0.00 0.06 0.00 -3.44 0.00 0.00 59.70 56.33 1igz h MET 413 Cb 0.00 0.01 -0.08 0.00 -0.55 0.00 0.00 31.60 30.98 1igz h MET 413 CO 0.00 -0.02 -0.31 1.25 0.14 0.00 0.00 176.91 177.97 1igz h LEU 414 N -0.03 -1.00 -0.04 3.39 5.85 -1.94 0.59 115.31 122.12 1igz h LEU 414 Ca 0.36 0.17 -0.11 0.00 0.84 0.00 0.00 57.88 59.14 1igz h LEU 414 Cb 0.61 0.45 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1igz h LEU 414 CO -0.88 -0.33 -0.52 0.58 -0.34 0.00 0.00 178.44 176.95 1igz h VAL 415 N -0.31 0.90 0.41 1.05 2.07 -1.15 0.32 116.25 119.55 1igz h VAL 415 Ca 0.14 -2.25 -0.02 0.00 0.82 0.00 0.00 66.70 65.39 1igz h VAL 415 Cb 0.53 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1igz h VAL 415 CO -0.44 0.51 -0.20 0.44 0.02 0.00 0.00 177.57 177.90 1igz h ASP 416 N 0.00 -0.46 0.16 0.57 3.45 0.37 -3.37 116.42 117.14 1igz h ASP 416 Ca -0.01 -0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.34 1igz h ASP 416 Cb 1.38 0.12 0.00 0.00 -0.56 0.00 0.00 39.33 40.28 1igz h ASP 416 CO 0.07 -0.05 -0.08 1.88 -1.57 0.00 0.00 179.24 179.49 1igz h TYR 417 N -0.99 -0.20 0.00 4.55 0.99 0.10 -3.50 116.97 117.91 1igz h TYR 417 Ca -0.06 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1igz h TYR 417 Cb 0.54 0.07 0.00 0.00 1.00 0.00 0.00 36.73 38.34 1igz h TYR 417 CO 0.02 0.22 0.00 0.41 -0.00 0.00 0.00 178.16 178.81 1igz n GLY 418 N 0.69 2.45 0.47 3.88 0.00 0.11 -4.57 105.19 108.22 1igz n GLY 418 Ca -0.07 -1.71 -0.17 0.00 0.00 0.00 0.00 46.02 44.07 1igz n GLY 418 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1igz h VAL 419 N 0.00 0.06 -0.43 1.61 2.07 -1.96 0.45 116.25 118.04 1igz h VAL 419 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1igz h VAL 419 Cb 0.00 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 29.78 1igz h VAL 419 CO 0.00 0.00 -0.26 -0.33 0.02 0.00 0.00 177.57 177.00 1igz h GLU 420 N -0.82 -0.00 -0.12 1.57 3.07 -1.90 0.19 114.58 116.57 1igz h GLU 420 Ca -0.02 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1igz h GLU 420 Cb 0.78 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.67 1igz h GLU 420 CO -0.19 -0.00 -0.03 0.00 -1.40 0.00 0.00 179.01 177.39 1igz h ALA 421 N -0.35 0.07 -0.70 3.43 0.00 -1.75 -1.66 119.26 118.30 1igz h ALA 421 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1igz h ALA 421 Cb 0.18 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1igz h ALA 421 CO -0.41 -0.49 0.44 -0.07 0.00 0.00 0.00 179.25 178.72 1igz h LEU 422 N -0.01 0.82 0.28 0.00 3.38 0.68 -0.65 115.31 119.81 1igz h LEU 422 Ca 0.06 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1igz h LEU 422 Cb 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1igz h LEU 422 CO -0.13 0.62 -0.19 0.58 0.09 0.00 0.00 178.44 179.41 1igz h VAL 423 N 0.95 0.59 -1.03 1.22 2.07 -0.51 -1.38 116.25 118.17 1igz h VAL 423 Ca 0.25 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.04 1igz h VAL 423 Cb -0.07 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 1igz h VAL 423 CO -0.05 0.00 0.69 -0.78 0.02 0.00 0.00 177.57 177.44 1igz h ASP 424 N -0.47 0.32 0.66 0.57 3.58 -0.84 0.14 116.42 120.38 1igz h ASP 424 Ca -0.02 0.05 -0.19 0.00 0.42 0.00 0.00 57.03 57.29 1igz h ASP 424 Cb 0.40 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1igz h ASP 424 CO 0.01 0.08 -0.87 0.00 -2.88 0.00 0.00 179.24 175.57 1igz h ALA 425 N 1.57 0.54 0.21 -0.78 0.00 -0.11 -3.23 119.26 117.46 1igz h ALA 425 Ca 0.55 -0.74 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 1igz h ALA 425 Cb 1.60 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.33 1igz h ALA 425 CO -0.19 0.96 -1.21 0.74 0.00 0.00 0.00 179.25 179.54 1igz h PHE 426 N 0.07 0.79 0.00 0.00 0.04 0.12 -3.09 116.94 114.87 1igz h PHE 426 Ca -0.04 -0.58 0.00 0.00 2.80 0.00 0.00 57.97 60.15 1igz h PHE 426 Cb 1.51 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.63 1igz h PHE 426 CO 0.02 1.47 0.00 0.43 -0.60 0.00 0.00 178.31 179.63 1igz n SER 427 N -3.89 0.00 -0.01 2.17 7.64 0.26 -2.06 113.62 117.73 1igz n SER 427 Ca -0.16 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1igz n SER 427 Cb 0.99 -0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 64.02 1igz n SER 427 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1igz n ARG 428 N -1.13 1.57 -3.22 1.43 1.74 -1.20 -4.22 116.66 111.63 1igz n ARG 428 Ca 0.01 -0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 56.67 1igz n ARG 428 Cb 0.01 -1.14 -0.07 0.00 -1.02 0.00 0.00 32.46 30.25 1igz n ARG 428 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1igz s GLN 429 N -2.27 4.19 0.80 5.56 0.74 -0.93 -4.84 119.66 122.91 1igz s GLN 429 Ca -0.02 0.45 -0.14 0.00 0.05 0.00 0.00 55.36 55.70 1igz s GLN 429 Cb 0.03 -3.57 0.03 0.00 1.10 0.00 0.00 33.01 30.60 1igz s GLN 429 CO 0.23 -0.17 0.81 -0.35 -0.55 0.00 0.00 175.29 175.25 1igz n PRO 430 N 4.86 0.16 -3.74 1.67 -0.04 -1.26 -1.19 135.00 135.46 1igz n PRO 430 Ca -0.04 0.11 -0.24 0.00 -0.04 0.00 0.00 63.50 63.30 1igz n PRO 430 Cb 0.50 -2.11 -0.02 0.00 -0.04 0.00 0.00 33.50 31.84 1igz n PRO 430 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1igz s ALA 431 N -2.08 4.23 0.10 0.55 0.00 -0.93 -4.55 121.76 119.08 1igz s ALA 431 Ca 0.68 -1.64 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 1igz s ALA 431 Cb -0.30 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1igz s ALA 431 CO 0.56 -0.37 0.28 0.20 0.00 0.00 0.00 175.76 176.43 1igz s GLY 432 N -4.21 2.14 0.37 0.00 0.00 0.27 -1.75 107.32 104.13 1igz s GLY 432 Ca 0.42 -0.77 -0.27 0.00 0.00 0.00 0.00 44.72 44.09 1igz s GLY 432 CO 0.25 -0.74 1.33 -2.13 0.00 0.00 0.00 173.10 171.82 1igz n ARG 433 N 0.09 2.21 0.02 2.90 0.63 0.48 -4.17 116.66 118.82 1igz n ARG 433 Ca -0.04 0.78 -0.10 0.00 -0.92 0.00 0.00 57.85 57.56 1igz n ARG 433 Cb 0.52 -2.42 -0.13 0.00 0.45 0.00 0.00 32.46 30.87 1igz n ARG 433 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1igz h ILE 434 N 2.52 1.16 -3.83 5.15 2.04 -1.46 -3.42 117.51 119.67 1igz h ILE 434 Ca -0.48 -2.92 0.00 0.00 1.00 0.00 0.00 64.86 62.46 1igz h ILE 434 Cb 1.28 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1igz h ILE 434 CO 0.62 0.72 0.00 0.61 0.00 0.00 0.00 178.15 180.10 1igz n GLY 435 N 1.54 3.51 0.66 5.37 0.00 -0.89 -4.74 105.19 110.63 1igz n GLY 435 Ca -0.12 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.75 1igz n GLY 435 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1igz n GLY 436 N 5.00 3.07 0.00 -0.02 0.00 -1.15 -4.91 105.19 107.18 1igz n GLY 436 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1igz n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1igz n GLY 437 N -0.60 -0.37 3.17 -0.02 0.00 -0.62 -4.87 105.19 101.87 1igz n GLY 437 Ca 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 1igz n GLY 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1igz n ARG 438 N 0.19 -1.44 -0.20 1.61 1.74 0.60 -4.95 116.66 114.21 1igz n ARG 438 Ca 0.00 1.42 0.00 0.00 -0.77 0.00 0.00 57.85 58.50 1igz n ARG 438 Cb 0.00 -5.15 0.00 0.00 -1.02 0.00 0.00 32.46 26.29 1igz n ARG 438 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1igz n ASN 439 N -1.78 0.00 -4.66 0.55 5.15 -0.94 -4.24 115.26 109.34 1igz n ASN 439 Ca -0.04 -1.02 -0.40 0.00 -0.60 0.00 0.00 54.58 52.52 1igz n ASN 439 Cb 0.53 -0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.72 1igz n ASN 439 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1igz s ILE 440 N 0.00 5.00 0.67 -1.44 1.01 -0.70 -4.61 121.20 121.12 1igz s ILE 440 Ca 0.00 1.23 -0.17 0.00 0.00 0.00 0.00 60.65 61.71 1igz s ILE 440 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 1igz s ILE 440 CO 0.00 0.10 1.00 -0.67 0.00 0.00 0.00 174.94 175.36 1igz n ASP 441 N 5.10 0.75 -0.21 3.58 2.03 -1.26 -0.21 116.55 126.32 1igz n ASP 441 Ca -0.01 0.74 -0.04 0.00 0.52 0.00 0.00 54.79 56.00 1igz n ASP 441 Cb 0.50 -1.42 0.14 0.00 -0.72 0.00 0.00 41.12 39.62 1igz n ASP 441 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1igz h HIS 442 N 0.11 1.04 -0.35 -0.67 2.07 -1.95 -2.51 115.15 112.88 1igz h HIS 442 Ca -0.48 -0.08 0.07 0.00 -2.85 0.00 0.00 60.37 57.03 1igz h HIS 442 Cb 1.35 -0.31 -0.09 0.00 2.57 0.00 0.00 27.41 30.93 1igz h HIS 442 CO 0.39 0.81 -0.38 0.45 -3.07 0.00 0.00 177.93 176.12 1igz h HIS 443 N 0.99 -1.09 -0.01 6.12 3.86 -1.99 -1.74 115.15 121.28 1igz h HIS 443 Ca 0.23 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1igz h HIS 443 Cb 0.23 0.53 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1igz h HIS 443 CO 0.02 -0.42 -0.01 0.44 0.86 0.00 0.00 177.93 178.81 1igz n ILE 444 N -5.42 0.00 0.06 2.45 -5.35 -1.22 -4.29 119.36 105.59 1igz n ILE 444 Ca -0.01 -0.24 0.02 0.00 -0.27 0.00 0.00 62.75 62.26 1igz n ILE 444 Cb 0.35 0.46 0.12 0.00 -1.74 0.00 0.00 39.64 38.83 1igz n ILE 444 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1igz n LEU 445 N 0.10 0.12 -0.02 7.28 7.94 -0.65 -0.64 117.00 131.11 1igz n LEU 445 Ca 0.19 0.37 -0.11 0.00 -1.11 0.00 0.00 56.01 55.35 1igz n LEU 445 Cb 0.35 -0.35 0.03 0.00 0.53 0.00 0.00 43.42 43.98 1igz n LEU 445 CO 0.17 -0.41 0.48 1.12 -1.11 0.00 0.00 177.39 177.64 1igz h HIS 446 N 0.00 0.81 -0.02 1.96 2.07 -1.77 -3.14 115.15 115.07 1igz h HIS 446 Ca 0.00 -0.28 0.02 0.00 -2.85 0.00 0.00 60.37 57.26 1igz h HIS 446 Cb 0.53 -0.16 -0.06 0.00 2.57 0.00 0.00 27.41 30.30 1igz h HIS 446 CO 0.00 1.04 -0.51 0.28 -3.07 0.00 0.00 177.93 175.67 1igz h VAL 447 N 0.51 0.03 -0.95 6.12 2.07 -1.23 -1.43 116.25 121.37 1igz h VAL 447 Ca 0.01 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.72 1igz h VAL 447 Cb 1.09 0.03 -0.18 0.00 -1.52 0.00 0.00 31.29 30.72 1igz h VAL 447 CO 0.11 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.45 1igz h ALA 448 N -0.31 0.61 -0.52 1.67 0.00 -1.68 0.16 119.26 119.18 1igz h ALA 448 Ca 0.02 0.37 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1igz h ALA 448 Cb 0.71 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1igz h ALA 448 CO -0.36 -0.40 0.31 0.28 0.00 0.00 0.00 179.25 179.09 1igz h VAL 449 N -0.00 1.16 -0.23 0.00 2.07 -1.27 -2.62 116.25 115.37 1igz h VAL 449 Ca 0.45 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1igz h VAL 449 Cb 0.69 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1igz h VAL 449 CO -0.98 0.17 0.06 0.44 0.02 0.00 0.00 177.57 177.28 1igz h ASP 450 N 0.70 0.04 -0.53 0.57 3.32 0.15 0.41 116.42 121.08 1igz h ASP 450 Ca 0.19 0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.37 1igz h ASP 450 Cb -0.00 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.50 1igz h ASP 450 CO -0.03 0.05 0.07 0.58 -1.72 0.00 0.00 179.24 178.19 1igz h VAL 451 N 0.15 0.65 -0.58 -1.35 2.07 -1.12 1.86 116.25 117.93 1igz h VAL 451 Ca 0.10 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1igz h VAL 451 Cb 0.09 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1igz h VAL 451 CO -0.13 0.03 0.28 0.40 0.02 0.00 0.00 177.57 178.18 1igz h ILE 452 N 0.19 1.19 -0.15 4.57 2.04 -0.99 0.25 117.51 124.61 1igz h ILE 452 Ca 0.27 -0.53 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 1igz h ILE 452 Cb 0.39 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1igz h ILE 452 CO -0.39 0.22 -0.33 0.11 0.00 0.00 0.00 178.15 177.76 1igz h LYS 453 N 0.81 0.49 0.75 2.37 1.79 0.16 -3.12 116.57 119.81 1igz h LYS 453 Ca 0.20 -0.33 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 1igz h LYS 453 Cb 0.08 0.05 0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1igz h LYS 453 CO -0.03 0.94 -0.37 1.49 -1.08 0.00 0.00 179.45 180.40 1igz h GLU 454 N 0.10 -0.98 -0.86 3.15 4.81 0.32 -2.75 114.58 118.37 1igz h GLU 454 Ca -0.00 0.07 0.16 0.00 -0.13 0.00 0.00 59.36 59.46 1igz h GLU 454 Cb 0.94 0.22 -0.16 0.00 0.63 0.00 0.00 28.75 30.38 1igz h GLU 454 CO 0.07 -0.65 -0.24 0.45 -0.73 0.00 0.00 179.01 177.90 1igz n SER 455 N -5.53 -0.37 0.22 1.04 2.88 0.84 0.18 113.62 112.87 1igz n SER 455 Ca -0.14 1.49 0.06 0.00 -1.33 0.00 0.00 58.87 58.95 1igz n SER 455 Cb 0.41 -0.42 0.55 0.00 -0.75 0.00 0.00 64.21 64.00 1igz n SER 455 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1igz h ARG 456 N 0.00 0.05 -0.18 -1.46 3.08 -1.43 0.92 114.38 115.35 1igz h ARG 456 Ca 0.39 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.33 1igz h ARG 456 Cb 0.60 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1igz h ARG 456 CO -0.88 0.12 -0.29 0.28 -1.07 0.00 0.00 179.97 178.13 1igz h VAL 457 N 0.05 1.34 0.00 2.04 2.07 0.21 -2.93 116.25 119.03 1igz h VAL 457 Ca 0.01 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 1igz h VAL 457 Cb 0.16 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1igz h VAL 457 CO 0.01 0.46 -0.25 -0.07 0.02 0.00 0.00 177.57 177.74 1igz h LEU 458 N 0.17 0.00 -2.00 2.57 3.38 0.15 -3.47 115.31 116.11 1igz h LEU 458 Ca 0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1igz h LEU 458 Cb 0.87 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.75 1igz h LEU 458 CO 0.07 0.25 -0.57 0.54 0.09 0.00 0.00 178.44 178.82 1igz n ARG 459 N -3.93 -3.82 -2.56 1.13 1.74 0.30 -4.78 116.66 104.74 1igz n ARG 459 Ca -0.02 0.61 -0.41 0.00 -0.77 0.00 0.00 57.85 57.27 1igz n ARG 459 Cb 0.33 -4.81 -0.04 0.00 -1.02 0.00 0.00 32.46 26.91 1igz n ARG 459 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1igz s LEU 460 N -4.99 4.53 1.05 0.55 1.43 -1.19 -0.75 118.68 119.31 1igz s LEU 460 Ca 0.10 2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 55.16 1igz s LEU 460 Cb -0.01 -3.61 0.22 0.00 0.03 0.00 0.00 46.19 42.82 1igz s LEU 460 CO 0.52 -0.13 1.08 -1.10 0.23 0.00 0.00 176.35 176.95 1igz s GLN 461 N -0.70 -0.07 0.81 1.70 -0.21 -1.26 -4.78 119.66 115.15 1igz s GLN 461 Ca 0.47 1.13 -0.13 0.00 0.02 0.00 0.00 55.36 56.84 1igz s GLN 461 Cb -0.29 -1.63 0.08 0.00 1.00 0.00 0.00 33.01 32.17 1igz s GLN 461 CO 0.35 -3.24 1.15 -2.30 -2.12 0.00 0.00 175.29 169.14 1igz n PRO 462 N -4.61 0.16 -0.11 2.91 -0.02 -1.26 -4.53 135.00 127.53 1igz n PRO 462 Ca 0.07 0.13 -0.10 0.00 -2.02 0.00 0.00 63.50 61.58 1igz n PRO 462 Cb 0.53 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 1igz n PRO 462 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1igz h PHE 463 N -0.93 -1.20 -0.84 6.00 3.57 -1.45 0.90 116.94 122.99 1igz h PHE 463 Ca -0.46 0.07 0.18 0.00 3.53 0.00 0.00 57.97 61.29 1igz h PHE 463 Cb 1.30 0.58 -0.06 0.00 2.79 0.00 0.00 35.95 40.56 1igz h PHE 463 CO 0.46 -0.44 0.56 -0.91 -2.23 0.00 0.00 178.31 175.75 1igz h ASN 464 N -0.34 0.37 -0.65 0.41 2.35 -1.81 0.93 115.58 116.84 1igz h ASN 464 Ca 0.13 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 1igz h ASN 464 Cb 0.58 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 1igz h ASN 464 CO -0.55 0.17 0.10 -0.33 -1.65 0.00 0.00 177.43 175.17 1igz h GLU 465 N 0.38 1.09 0.00 0.81 4.39 -1.17 -2.27 114.58 117.82 1igz h GLU 465 Ca 0.43 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.72 1igz h GLU 465 Cb 1.07 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 1igz h GLU 465 CO -0.14 1.00 -0.55 1.88 -1.16 0.00 0.00 179.01 180.04 1igz h TYR 466 N 1.02 0.00 0.12 4.33 0.05 -0.42 -2.76 116.97 119.32 1igz h TYR 466 Ca 0.20 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.99 1igz h TYR 466 Cb 0.45 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 1igz h TYR 466 CO 0.03 0.55 -0.19 0.00 -1.05 0.00 0.00 178.16 177.50 1igz h ARG 467 N 0.00 -0.36 0.07 4.88 2.47 -0.51 -1.91 114.38 119.02 1igz h ARG 467 Ca -0.01 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1igz h ARG 467 Cb 1.10 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 1igz h ARG 467 CO 0.07 -0.24 -0.13 0.87 0.56 0.00 0.00 179.97 181.10 1igz h LYS 468 N -0.38 -0.20 -1.36 0.04 1.57 -1.34 -1.39 116.57 113.51 1igz h LYS 468 Ca 0.02 0.01 0.40 0.00 -1.87 0.00 0.00 60.65 59.21 1igz h LYS 468 Cb 0.39 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1igz h LYS 468 CO -0.09 -0.14 1.24 -0.09 -0.57 0.00 0.00 179.45 179.80 1igz h ARG 469 N -0.21 0.00 -0.87 3.15 9.65 -1.40 0.94 114.38 125.63 1igz h ARG 469 Ca -0.01 0.00 -0.55 0.00 -1.10 0.00 0.00 59.98 58.32 1igz h ARG 469 Cb 0.20 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 28.49 1igz h ARG 469 CO -0.05 0.00 0.42 1.19 2.80 0.00 0.00 179.97 184.34 1igz n PHE 470 N -3.57 2.83 -3.21 2.20 3.72 -0.70 -4.93 117.46 113.80 1igz n PHE 470 Ca 0.31 -2.45 -0.22 0.00 -0.05 0.00 0.00 57.45 55.03 1igz n PHE 470 Cb 1.66 -1.03 0.05 0.00 -0.94 0.00 0.00 39.48 39.22 1igz n PHE 470 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1igz n GLY 471 N -0.97 -0.48 3.46 1.37 0.00 0.32 -4.87 105.19 104.03 1igz n GLY 471 Ca 0.55 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.50 1igz n GLY 471 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1igz s MET 472 N -5.90 1.70 0.10 1.61 -1.94 -0.61 -4.94 119.30 109.32 1igz s MET 472 Ca 0.40 -1.96 -0.08 0.00 -1.71 0.00 0.00 55.69 52.34 1igz s MET 472 Cb -0.18 -0.83 -0.06 0.00 2.01 0.00 0.00 34.83 35.78 1igz s MET 472 CO 0.50 -0.24 0.39 -1.59 -0.01 0.00 0.00 175.02 174.07 1igz s LYS 473 N -3.87 3.70 0.39 2.03 0.00 -1.26 -3.55 119.74 117.17 1igz s LYS 473 Ca 0.34 0.07 -0.25 0.00 0.00 0.00 0.00 55.97 56.13 1igz s LYS 473 Cb 0.08 -2.94 -0.09 0.00 0.00 0.00 0.00 37.83 34.88 1igz s LYS 473 CO 0.15 0.53 1.11 -1.25 0.00 0.00 0.00 175.35 175.89 1igz s PRO 474 N -2.17 4.16 0.50 1.78 0.04 -1.26 -4.79 135.00 133.26 1igz s PRO 474 Ca 0.36 1.71 -0.22 0.00 0.04 0.00 0.00 61.00 62.89 1igz s PRO 474 Cb -0.13 -2.69 -0.06 0.00 0.04 0.00 0.00 34.50 31.66 1igz s PRO 474 CO 0.20 -0.19 1.20 0.71 0.04 0.00 0.00 177.00 178.96 1igz s TYR 475 N -1.47 2.70 -2.94 0.56 1.51 -1.26 -4.93 117.35 111.51 1igz s TYR 475 Ca 0.56 1.51 0.24 0.00 -1.01 0.00 0.00 57.07 58.36 1igz s TYR 475 Cb -0.28 -3.45 0.20 0.00 -0.11 0.00 0.00 41.96 38.32 1igz s TYR 475 CO 0.35 -1.83 1.26 0.25 -1.11 0.00 0.00 175.55 174.47 1igz n THR 476 N -0.79 0.00 -3.60 -0.71 -2.24 -1.26 -4.83 114.28 100.85 1igz n THR 476 Ca 0.09 -0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 61.34 1igz n THR 476 Cb 0.48 1.47 -0.02 0.00 -2.10 0.00 0.00 70.33 70.15 1igz n THR 476 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1igz s SER 477 N -2.02 -0.13 0.19 3.42 1.04 -1.26 -4.98 113.70 109.96 1igz s SER 477 Ca 0.28 0.03 -0.03 0.00 0.48 0.00 0.00 55.95 56.70 1igz s SER 477 Cb 0.20 0.13 0.12 0.00 0.10 0.00 0.00 66.02 66.57 1igz s SER 477 CO 0.31 -0.20 1.52 -0.26 0.98 0.00 0.00 173.24 175.59 1igz h PHE 478 N 2.03 0.73 -0.93 5.02 -1.00 -1.94 0.55 116.94 121.41 1igz h PHE 478 Ca -0.09 -0.25 0.20 0.00 2.81 0.00 0.00 57.97 60.65 1igz h PHE 478 Cb 1.17 -0.14 -0.08 0.00 3.61 0.00 0.00 35.95 40.51 1igz h PHE 478 CO 0.28 0.98 0.61 1.96 -1.61 0.00 0.00 178.31 180.52 1igz h GLN 479 N 0.46 0.47 0.13 1.51 4.20 -1.84 0.42 115.11 120.47 1igz h GLN 479 Ca 0.02 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 1igz h GLN 479 Cb 1.05 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 28.74 1igz h GLN 479 CO 0.10 0.31 -0.83 1.49 -0.67 0.00 0.00 178.83 179.23 1igz h GLU 480 N 0.49 0.33 0.07 1.46 4.81 -1.64 -3.35 114.58 116.75 1igz h GLU 480 Ca 0.50 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1igz h GLU 480 Cb 1.12 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 1igz h GLU 480 CO -0.22 1.24 -0.16 1.25 -0.73 0.00 0.00 179.01 180.39 1igz h LEU 481 N -0.30 -0.47 -9.46 1.64 5.85 0.89 -3.40 115.31 110.06 1igz h LEU 481 Ca -0.14 0.05 -0.55 0.00 0.84 0.00 0.00 57.88 58.08 1igz h LEU 481 Cb 1.63 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.79 1igz h LEU 481 CO 0.16 -0.18 0.18 0.28 -0.34 0.00 0.00 178.44 178.54 1igz s THR 482 N -3.85 4.85 0.55 1.05 -1.32 0.13 -2.65 115.64 114.41 1igz s THR 482 Ca -0.05 1.66 0.42 0.00 -1.21 0.00 0.00 61.69 62.51 1igz s THR 482 Cb 0.02 -4.13 0.42 0.00 -1.51 0.00 0.00 72.50 67.29 1igz s THR 482 CO 0.18 0.29 2.29 1.23 -2.21 0.00 0.00 174.62 176.40 1igz h GLY 483 N 6.23 0.00 0.00 6.08 0.00 -1.78 -3.41 103.07 110.19 1igz h GLY 483 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1igz h GLY 483 CO 0.73 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 175.43 1igz n GLU 484 N -2.98 2.45 0.00 4.80 -0.00 -1.26 -5.03 120.64 118.61 1igz n GLU 484 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.13 1igz n GLU 484 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.51 1igz n GLU 484 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1igz n LYS 485 N -0.08 2.41 0.00 3.44 -0.00 -1.26 -4.69 118.16 117.98 1igz n LYS 485 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1igz n LYS 485 Cb 0.00 -0.86 0.00 0.00 -0.00 0.00 0.00 35.03 34.17 1igz n LYS 485 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1igz n GLU 486 N -1.67 0.00 -0.20 -1.58 -0.00 -1.26 -1.19 120.64 114.74 1igz n GLU 486 Ca 0.00 0.26 -0.04 0.00 -0.00 0.00 0.00 57.16 57.38 1igz n GLU 486 Cb 0.36 -1.24 0.02 0.00 -0.00 0.00 0.00 31.44 30.58 1igz n GLU 486 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1igz h MET 487 N 0.00 -0.13 -0.60 3.44 2.86 -1.99 -1.48 114.93 117.03 1igz h MET 487 Ca 0.00 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1igz h MET 487 Cb 0.00 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.62 1igz h MET 487 CO 0.00 -0.09 -0.36 0.00 1.06 0.00 0.00 176.91 177.53 1igz n ALA 488 N -3.13 -0.39 -0.07 6.32 0.00 -1.24 0.26 120.51 122.26 1igz n ALA 488 Ca 0.05 0.51 -0.07 0.00 0.00 0.00 0.00 53.44 53.93 1igz n ALA 488 Cb 0.35 0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 1igz n ALA 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1igz h ALA 489 N -0.03 0.16 -0.19 0.00 0.00 -0.17 -1.66 119.26 117.37 1igz h ALA 489 Ca 0.10 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1igz h ALA 489 Cb 0.25 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1igz h ALA 489 CO -0.57 -0.49 -0.10 1.49 0.00 0.00 0.00 179.25 179.59 1igz h GLU 490 N -0.03 0.30 -0.40 0.00 4.81 -0.23 -1.80 114.58 117.22 1igz h GLU 490 Ca 0.14 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.17 1igz h GLU 490 Cb 0.25 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1igz h GLU 490 CO -0.32 0.41 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.02 1igz h LEU 491 N 0.28 0.95 -0.36 1.64 3.38 0.41 -2.08 115.31 119.54 1igz h LEU 491 Ca 0.06 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1igz h LEU 491 Cb 0.36 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1igz h LEU 491 CO 0.02 1.18 0.22 -0.08 0.09 0.00 0.00 178.44 179.87 1igz h GLU 492 N 0.72 0.48 -0.98 1.13 4.81 -0.96 0.30 114.58 120.08 1igz h GLU 492 Ca 0.08 -0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.49 1igz h GLU 492 Cb 0.86 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.06 1igz h GLU 492 CO 0.08 0.35 0.63 0.93 -0.73 0.00 0.00 179.01 180.26 1igz h GLU 493 N 0.47 0.46 0.11 1.92 5.08 -1.06 1.37 114.58 122.92 1igz h GLU 493 Ca 0.13 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1igz h GLU 493 Cb -0.01 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1igz h GLU 493 CO -0.03 0.30 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.17 1igz h LEU 494 N 0.47 -0.12 0.00 1.33 3.38 -0.20 -3.37 115.31 116.80 1igz h LEU 494 Ca 0.54 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1igz h LEU 494 Cb 1.25 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1igz h LEU 494 CO -0.26 0.39 -0.12 1.88 0.09 0.00 0.00 178.44 180.43 1igz h TYR 495 N -1.03 0.00 0.00 1.13 -1.99 -0.30 -3.45 116.97 111.34 1igz h TYR 495 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1igz h TYR 495 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.92 1igz h TYR 495 CO 0.02 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.59 1igz n GLY 496 N 1.27 1.28 3.31 3.88 0.00 0.47 -4.11 105.19 111.29 1igz n GLY 496 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1igz n GLY 496 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1igz s ASP 497 N -0.62 -0.39 0.39 1.61 3.68 -1.26 -4.95 116.67 115.12 1igz s ASP 497 Ca 0.00 1.03 0.20 0.00 2.13 0.00 0.00 52.55 55.91 1igz s ASP 497 Cb 0.00 1.30 1.19 0.00 -1.45 0.00 0.00 42.92 43.95 1igz s ASP 497 CO 0.00 -0.22 1.69 -0.29 0.13 0.00 0.00 175.17 176.48 1igz h ILE 498 N 5.99 0.33 -0.13 4.11 6.09 -1.94 0.17 117.51 132.14 1igz h ILE 498 Ca -0.21 -0.10 0.02 0.00 -1.37 0.00 0.00 64.86 63.21 1igz h ILE 498 Cb 1.13 0.02 -0.02 0.00 0.47 0.00 0.00 36.82 38.41 1igz h ILE 498 CO 0.16 0.05 -0.01 0.44 -3.07 0.00 0.00 178.15 175.72 1igz h ASP 499 N 0.29 -0.07 -1.07 2.19 3.32 -1.95 -1.34 116.42 117.79 1igz h ASP 499 Ca 0.71 0.03 0.29 0.00 0.02 0.00 0.00 57.03 58.08 1igz h ASP 499 Cb 1.87 0.06 -0.08 0.00 0.22 0.00 0.00 39.33 41.40 1igz h ASP 499 CO -0.44 -0.02 0.71 0.00 -1.72 0.00 0.00 179.24 177.78 1igz h ALA 500 N 1.12 2.51 -1.36 3.45 0.00 -0.85 -3.39 119.26 120.74 1igz h ALA 500 Ca 0.06 0.03 -0.49 0.00 0.00 0.00 0.00 54.91 54.51 1igz h ALA 500 Cb 0.08 0.05 0.13 0.00 0.00 0.00 0.00 17.79 18.05 1igz h ALA 500 CO -0.12 -0.89 -0.77 -0.11 0.00 0.00 0.00 179.25 177.36 1igz n LEU 501 N -4.49 -2.36 -5.01 0.00 7.94 -0.51 -4.75 117.00 107.83 1igz n LEU 501 Ca 0.25 0.63 -0.18 0.00 -1.11 0.00 0.00 56.01 55.60 1igz n LEU 501 Cb 0.98 -0.70 0.02 0.00 0.53 0.00 0.00 43.42 44.25 1igz n LEU 501 CO 0.30 -3.40 0.20 -1.61 -1.11 0.00 0.00 177.39 171.78 1igz s GLU 502 N -0.79 2.72 0.00 1.96 2.02 -1.26 -1.60 118.70 121.75 1igz s GLU 502 Ca 0.47 -1.27 -0.05 0.00 0.02 0.00 0.00 54.97 54.15 1igz s GLU 502 Cb -0.49 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 30.99 1igz s GLU 502 CO 0.50 -0.40 0.90 0.35 0.02 0.00 0.00 175.26 176.63 1igz h PHE 503 N 0.52 -0.15 -0.09 1.61 3.57 -1.88 -2.19 116.94 118.33 1igz h PHE 503 Ca -0.39 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.14 1igz h PHE 503 Cb 1.28 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 40.04 1igz h PHE 503 CO 0.40 -0.10 -0.10 -0.92 -2.23 0.00 0.00 178.31 175.36 1igz h TYR 504 N -0.19 -0.25 -0.23 0.41 3.20 -1.96 -2.09 116.97 115.86 1igz h TYR 504 Ca -0.02 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1igz h TYR 504 Cb 0.13 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 1igz h TYR 504 CO 0.16 -0.15 -0.01 -1.35 -1.64 0.00 0.00 178.16 175.17 1igz h PRO 505 N -0.13 0.06 -0.44 1.82 0.11 -1.99 -2.17 132.00 129.25 1igz h PRO 505 Ca 0.07 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.26 1igz h PRO 505 Cb 0.23 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.25 1igz h PRO 505 CO -0.17 0.04 0.01 0.78 -0.21 0.00 0.00 178.00 178.45 1igz h GLY 506 N 0.06 0.45 0.68 -0.55 0.00 -1.19 0.25 103.07 102.77 1igz h GLY 506 Ca 0.11 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.56 1igz h GLY 506 CO -0.19 -0.11 0.59 1.41 0.00 0.00 0.00 176.54 178.24 1igz h LEU 507 N 0.12 0.92 0.00 3.11 3.38 -0.96 -0.67 115.31 121.21 1igz h LEU 507 Ca 0.22 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1igz h LEU 507 Cb 0.31 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1igz h LEU 507 CO -0.36 0.57 -0.67 -0.07 0.09 0.00 0.00 178.44 178.01 1igz h LEU 508 N 1.05 0.00 -2.10 1.67 3.38 -0.73 -3.32 115.31 115.26 1igz h LEU 508 Ca 0.42 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1igz h LEU 508 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1igz h LEU 508 CO -0.19 0.03 0.00 0.18 0.09 0.00 0.00 178.44 178.55 1igz n LEU 509 N -2.55 3.15 -4.79 1.67 4.77 0.80 -1.59 117.00 118.45 1igz n LEU 509 Ca 0.02 -1.24 -0.35 0.00 -0.03 0.00 0.00 56.01 54.41 1igz n LEU 509 Cb 0.51 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1igz n LEU 509 CO 0.37 0.61 0.71 -0.70 -1.33 0.00 0.00 177.39 177.05 1igz s GLU 510 N -1.69 4.09 0.32 3.23 2.12 -0.29 -4.35 118.70 122.13 1igz s GLU 510 Ca 0.32 1.37 -0.29 0.00 0.36 0.00 0.00 54.97 56.73 1igz s GLU 510 Cb 0.20 -2.35 -0.10 0.00 0.26 0.00 0.00 34.13 32.14 1igz s GLU 510 CO 0.30 -0.18 1.31 -1.59 -0.54 0.00 0.00 175.26 174.55 1igz s LYS 511 N -2.82 4.36 0.48 4.30 -2.85 -1.08 -3.43 119.74 118.70 1igz s LYS 511 Ca 0.61 2.19 -0.09 0.00 -1.00 0.00 0.00 55.97 57.68 1igz s LYS 511 Cb -0.17 -3.09 -0.05 0.00 -2.06 0.00 0.00 37.83 32.46 1igz s LYS 511 CO 0.22 -0.19 0.85 0.00 0.10 0.00 0.00 175.35 176.33 1igz s HIS 513 N -2.68 2.66 -0.23 0.00 0.09 -1.23 -4.82 115.29 109.08 1igz s HIS 513 Ca 0.51 1.48 -0.40 0.00 -0.00 0.00 0.00 55.06 56.66 1igz s HIS 513 Cb -0.10 -3.51 -0.16 0.00 -0.00 0.00 0.00 32.58 28.80 1igz s HIS 513 CO 0.41 -1.98 1.69 -2.30 -0.00 0.00 0.00 174.74 172.56 1igz n PRO 514 N -0.73 1.14 -0.93 8.40 -0.02 -1.26 -0.26 135.00 141.34 1igz n PRO 514 Ca 0.09 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1igz n PRO 514 Cb 0.47 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1igz n PRO 514 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1igz n ASN 515 N 5.00 -2.94 -4.86 2.55 4.13 -1.26 -5.00 115.26 112.88 1igz n ASN 515 Ca 0.26 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.21 1igz n ASN 515 Cb 0.13 -1.63 0.04 0.00 -1.54 0.00 0.00 39.78 36.79 1igz n ASN 515 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1igz s SER 516 N -2.18 5.63 0.42 6.41 0.01 0.64 -3.23 113.70 121.39 1igz s SER 516 Ca 0.00 1.30 0.23 0.00 1.31 0.00 0.00 55.95 58.78 1igz s SER 516 Cb 0.00 -2.19 0.44 0.00 0.21 0.00 0.00 66.02 64.48 1igz s SER 516 CO 0.00 -1.24 1.63 -0.29 0.41 0.00 0.00 173.24 173.75 1igz h ILE 517 N -0.58 0.19 -2.58 1.44 2.10 -1.87 -3.41 117.51 112.80 1igz h ILE 517 Ca -0.45 -1.18 0.13 0.00 1.08 0.00 0.00 64.86 64.44 1igz h ILE 517 Cb 1.23 2.01 -0.05 0.00 -1.09 0.00 0.00 36.82 38.92 1igz h ILE 517 CO 0.62 0.10 0.43 0.72 -1.08 0.00 0.00 178.15 178.95 1igz s PHE 518 N -3.24 -0.07 0.64 2.19 -0.00 -1.26 -1.19 117.98 115.05 1igz s PHE 518 Ca 0.05 -0.33 -0.11 0.00 -0.00 0.00 0.00 56.93 56.54 1igz s PHE 518 Cb 0.06 0.69 0.15 0.00 -0.00 0.00 0.00 43.02 43.93 1igz s PHE 518 CO 0.67 -1.02 0.70 0.41 -0.00 0.00 0.00 175.22 175.98 1igz n GLY 519 N -0.52 -1.97 0.31 1.99 0.00 -1.26 -3.48 105.19 100.26 1igz n GLY 519 Ca -0.05 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 1igz n GLY 519 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1igz h GLU 520 N 0.00 -0.59 -0.47 1.61 4.81 -1.93 -3.06 114.58 114.96 1igz h GLU 520 Ca -0.24 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.16 1igz h GLU 520 Cb 0.70 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1igz h GLU 520 CO 0.17 -0.39 0.33 0.77 -0.73 0.00 0.00 179.01 179.16 1igz h SER 521 N -0.61 0.03 -0.04 1.04 0.02 -1.94 -1.99 113.55 110.06 1igz h SER 521 Ca -0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1igz h SER 521 Cb 0.55 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 1igz h SER 521 CO -0.04 0.02 0.01 -0.03 -1.14 0.00 0.00 176.83 175.65 1igz h MET 522 N 0.03 0.07 -0.02 3.45 1.85 -1.86 -2.15 114.93 116.30 1igz h MET 522 Ca 0.22 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.29 1igz h MET 522 Cb 0.84 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.87 1igz h MET 522 CO -0.01 0.31 0.00 0.82 -0.40 0.00 0.00 176.91 177.63 1igz h ILE 523 N -0.18 1.25 0.00 1.77 2.04 -1.53 0.34 117.51 121.20 1igz h ILE 523 Ca 0.01 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1igz h ILE 523 Cb 0.27 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1igz h ILE 523 CO 0.00 0.19 0.00 -0.33 0.00 0.00 0.00 178.15 178.02 1igz h GLU 524 N -0.26 0.00 0.00 2.37 4.39 -1.42 -1.69 114.58 117.97 1igz h GLU 524 Ca 0.01 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 1igz h GLU 524 Cb 0.31 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1igz h GLU 524 CO 0.00 0.00 -1.56 -1.33 -1.16 0.00 0.00 179.01 174.96 1igz n MET 525 N -2.32 2.64 -0.00 2.33 2.81 -0.81 -4.72 117.12 117.04 1igz n MET 525 Ca 0.00 -0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 1igz n MET 525 Cb 0.15 -1.21 -0.07 0.00 -0.71 0.00 0.00 33.22 31.38 1igz n MET 525 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1igz h GLY 526 N 1.61 -0.12 -0.22 3.03 0.00 -0.16 -3.34 103.07 103.88 1igz h GLY 526 Ca -0.22 0.04 0.19 0.00 0.00 0.00 0.00 47.33 47.34 1igz h GLY 526 CO 0.01 -0.04 0.21 0.00 0.00 0.00 0.00 176.54 176.72 1igz h ALA 527 N -0.44 1.10 0.01 3.60 0.00 -1.50 0.48 119.26 122.51 1igz h ALA 527 Ca -0.01 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1igz h ALA 527 Cb 0.51 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1igz h ALA 527 CO 0.02 -0.38 -0.07 -1.35 0.00 0.00 0.00 179.25 177.47 1igz h PRO 528 N 0.26 -0.13 -0.34 0.00 0.11 -1.79 0.61 132.00 130.71 1igz h PRO 528 Ca 0.47 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.57 1igz h PRO 528 Cb 0.87 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1igz h PRO 528 CO -0.57 -0.09 0.12 0.74 -0.21 0.00 0.00 178.00 177.99 1igz h PHE 529 N -0.13 0.54 -0.66 0.65 0.05 -1.48 -1.43 116.94 114.48 1igz h PHE 529 Ca 0.03 -0.05 0.01 0.00 3.82 0.00 0.00 57.97 61.78 1igz h PHE 529 Cb 0.17 -0.16 -0.03 0.00 2.00 0.00 0.00 35.95 37.92 1igz h PHE 529 CO -0.14 0.52 0.43 1.03 -0.18 0.00 0.00 178.31 179.98 1igz h SER 530 N 0.40 0.74 0.31 2.17 0.87 0.26 -2.60 113.55 115.71 1igz h SER 530 Ca 0.11 -0.02 -0.33 0.00 -1.23 0.00 0.00 61.79 60.33 1igz h SER 530 Cb 0.23 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1igz h SER 530 CO -0.01 0.53 -1.66 -0.07 -0.53 0.00 0.00 176.83 175.10 1igz h LEU 531 N 0.88 0.50 -1.49 2.23 3.38 0.25 -2.09 115.31 118.97 1igz h LEU 531 Ca 0.25 -0.74 0.15 0.00 0.09 0.00 0.00 57.88 57.63 1igz h LEU 531 Cb -0.08 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 1igz h LEU 531 CO -0.06 1.62 0.53 0.50 0.09 0.00 0.00 178.44 181.12 1igz h LYS 532 N 0.09 0.48 0.05 1.13 1.63 -1.29 -1.05 116.57 117.61 1igz h LYS 532 Ca -0.30 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.37 1igz h LYS 532 Cb 2.06 -0.11 0.01 0.00 -0.60 0.00 0.00 32.23 33.59 1igz h LYS 532 CO 0.17 0.32 -0.43 0.78 -3.45 0.00 0.00 179.45 176.84 1igz h GLY 533 N 0.49 0.23 0.69 5.01 0.00 -1.51 -2.14 103.07 105.86 1igz h GLY 533 Ca 0.40 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1igz h GLY 533 CO -0.15 0.44 -0.33 1.41 0.00 0.00 0.00 176.54 177.91 1igz h LEU 534 N -0.53 -0.88 -0.32 3.11 -0.00 -0.61 -3.18 115.31 112.90 1igz h LEU 534 Ca -0.07 0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 1igz h LEU 534 Cb 1.26 0.29 -0.00 0.00 -0.00 0.00 0.00 40.66 42.20 1igz h LEU 534 CO 0.08 -0.48 -0.12 -0.07 -0.00 0.00 0.00 178.44 177.85 1igz h LEU 535 N -0.72 0.00 0.00 1.67 -0.00 -1.39 -3.24 115.31 111.64 1igz h LEU 535 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1igz h LEU 535 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1igz h LEU 535 CO -0.03 0.12 0.00 0.61 -0.00 0.00 0.00 178.44 179.14 1igz n GLY 536 N 0.88 -0.82 3.72 0.83 0.00 -0.80 -4.67 105.19 104.34 1igz n GLY 536 Ca 0.03 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1igz n GLY 536 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1igz s ASN 537 N -1.21 7.21 0.30 1.61 3.84 -1.22 -1.90 114.94 123.56 1igz s ASN 537 Ca 0.01 2.01 0.06 0.00 0.21 0.00 0.00 52.86 55.15 1igz s ASN 537 Cb 0.01 -2.59 0.77 0.00 -0.55 0.00 0.00 41.25 38.89 1igz s ASN 537 CO 0.01 -0.32 1.75 1.55 -2.79 0.00 0.00 177.10 177.30 1igz h PRO 538 N 5.97 0.63 0.00 0.43 0.13 -1.87 0.44 132.00 137.73 1igz h PRO 538 Ca -0.43 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1igz h PRO 538 Cb 1.21 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1igz h PRO 538 CO 0.76 0.41 0.07 -0.84 -0.23 0.00 0.00 178.00 178.18 1igz h ILE 539 N 0.65 0.00 0.00 -3.56 3.07 -1.94 0.55 117.51 116.28 1igz h ILE 539 Ca 0.59 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.00 1igz h ILE 539 Cb 1.01 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.28 1igz h ILE 539 CO -0.43 0.00 -0.27 0.00 -1.05 0.00 0.00 178.15 176.39 1igz s SER 541 N -3.42 3.61 0.18 0.00 1.04 0.18 -4.73 113.70 110.57 1igz s SER 541 Ca 0.11 1.63 -0.10 0.00 0.48 0.00 0.00 55.95 58.07 1igz s SER 541 Cb 0.17 -2.30 0.08 0.00 0.10 0.00 0.00 66.02 64.07 1igz s SER 541 CO 0.63 -2.57 1.70 -0.65 0.98 0.00 0.00 173.24 173.33 1igz h PRO 542 N -1.50 1.00 -0.47 4.02 0.11 -1.91 0.25 132.00 133.50 1igz h PRO 542 Ca -0.48 -0.23 0.09 0.00 0.11 0.00 0.00 66.00 65.49 1igz h PRO 542 Cb 1.27 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 1igz h PRO 542 CO 0.53 0.90 0.04 1.49 -0.21 0.00 0.00 178.00 180.74 1igz h GLU 543 N 0.92 0.15 0.11 1.05 4.57 -1.92 -3.20 114.58 116.26 1igz h GLU 543 Ca 0.20 -0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 58.04 1igz h GLU 543 Cb 0.33 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1igz h GLU 543 CO -0.00 0.10 -1.80 1.88 -1.18 0.00 0.00 179.01 178.01 1igz h TYR 544 N 0.16 0.42 0.00 0.92 0.99 -1.73 -3.42 116.97 114.30 1igz h TYR 544 Ca 0.23 -0.31 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 1igz h TYR 544 Cb 0.33 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.05 1igz h TYR 544 CO -0.27 1.53 1.11 1.87 -0.00 0.00 0.00 178.16 182.40 1igz n TRP 545 N -3.41 0.12 -4.34 4.88 -0.00 0.85 -4.57 117.44 110.96 1igz n TRP 545 Ca -0.24 -0.61 -0.21 0.00 -0.00 0.00 0.00 57.50 56.44 1igz n TRP 545 Cb 1.05 -0.69 -0.11 0.00 -0.00 0.00 0.00 31.31 31.57 1igz n TRP 545 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1igz s LYS 546 N 4.76 1.31 0.06 5.87 1.02 -1.26 -4.98 119.74 126.52 1igz s LYS 546 Ca 0.04 -1.46 0.18 0.00 0.02 0.00 0.00 55.97 54.74 1igz s LYS 546 Cb 0.01 -1.31 0.75 0.00 -0.52 0.00 0.00 37.83 36.76 1igz s LYS 546 CO -0.00 0.26 1.56 0.00 -0.92 0.00 0.00 175.35 176.25 1igz n ALA 547 N 0.10 1.74 0.20 5.17 0.00 -1.26 -1.87 120.51 124.59 1igz n ALA 547 Ca -0.12 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.42 1igz n ALA 547 Cb 0.58 -1.29 0.13 0.00 0.00 0.00 0.00 19.45 18.87 1igz n ALA 547 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1igz h SER 548 N 0.00 0.00 1.22 0.00 4.64 -1.91 -1.87 113.55 115.62 1igz h SER 548 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1igz h SER 548 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1igz h SER 548 CO 0.00 0.00 0.00 0.74 -0.87 0.00 0.00 176.83 176.70 1igz h THR 549 N 0.00 0.00 0.00 2.95 2.02 -1.62 -2.02 112.91 114.24 1igz h THR 549 Ca 0.00 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1igz h THR 549 Cb 0.99 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1igz h THR 549 CO 0.00 0.00 -0.45 0.49 0.37 0.00 0.00 175.52 175.93 1igz n PHE 550 N -2.40 0.00 -1.72 3.16 3.01 -1.19 -4.87 117.46 113.45 1igz n PHE 550 Ca 0.04 -1.45 0.00 0.00 1.01 0.00 0.00 57.45 57.05 1igz n PHE 550 Cb 0.36 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1igz n PHE 550 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1igz n GLY 551 N -1.15 0.00 0.00 1.37 0.00 -0.76 -3.82 105.19 100.83 1igz n GLY 551 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1igz n GLY 551 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1igz n GLY 552 N 1.05 1.88 0.10 -0.02 0.00 -0.72 -4.34 105.19 103.15 1igz n GLY 552 Ca 0.00 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 1igz n GLY 552 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1igz h GLU 553 N 0.00 0.23 -0.82 1.61 4.57 -1.86 -3.27 114.58 115.05 1igz h GLU 553 Ca 0.00 -0.39 0.13 0.00 -1.18 0.00 0.00 59.36 57.92 1igz h GLU 553 Cb 0.00 0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 28.65 1igz h GLU 553 CO 0.00 1.18 0.42 -0.39 -1.18 0.00 0.00 179.01 179.04 1igz h VAL 554 N 0.07 0.77 0.33 0.32 -1.51 -1.88 -1.06 116.25 113.29 1igz h VAL 554 Ca -0.11 -0.22 -0.02 0.00 -1.23 0.00 0.00 66.70 65.12 1igz h VAL 554 Cb 1.93 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1igz h VAL 554 CO 0.19 0.12 -0.16 1.23 -1.23 0.00 0.00 177.57 177.72 1igz h GLY 555 N 0.64 -0.46 0.16 5.19 0.00 -1.66 -2.67 103.07 104.26 1igz h GLY 555 Ca 0.43 0.17 0.20 0.00 0.00 0.00 0.00 47.33 48.13 1igz h GLY 555 CO -0.33 -0.17 0.62 -2.75 0.00 0.00 0.00 176.54 173.91 1igz h PHE 556 N -0.64 0.94 -0.32 5.60 3.04 -1.45 -0.70 116.94 123.41 1igz h PHE 556 Ca -0.05 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 61.77 1igz h PHE 556 Cb 0.46 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 1igz h PHE 556 CO -0.01 0.21 -0.44 -0.91 -2.02 0.00 0.00 178.31 175.15 1igz h ASN 557 N 0.67 0.88 -0.92 0.41 2.35 -1.17 0.13 115.58 117.94 1igz h ASN 557 Ca 0.56 -0.42 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 1igz h ASN 557 Cb 0.99 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 39.05 1igz h ASN 557 CO -0.33 1.19 0.60 -0.07 -1.65 0.00 0.00 177.43 177.17 1igz h LEU 558 N 0.66 0.94 -0.04 1.61 3.38 -0.79 0.60 115.31 121.66 1igz h LEU 558 Ca 0.04 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1igz h LEU 558 Cb 1.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1igz h LEU 558 CO 0.10 0.61 -0.08 0.58 0.09 0.00 0.00 178.44 179.73 1igz h VAL 559 N 1.07 1.42 0.00 1.22 2.07 -1.13 -2.66 116.25 118.24 1igz h VAL 559 Ca 0.39 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1igz h VAL 559 Cb 0.17 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1igz h VAL 559 CO -0.15 0.38 0.00 0.11 0.02 0.00 0.00 177.57 177.93 1igz h LYS 560 N -0.38 0.00 0.00 1.57 1.57 0.19 -3.23 116.57 116.30 1igz h LYS 560 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1igz h LYS 560 Cb 0.65 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.83 1igz h LYS 560 CO 0.02 0.00 -0.65 0.25 -0.57 0.00 0.00 179.45 178.50 1igz n THR 561 N -2.61 1.37 -2.21 -0.16 -2.24 0.20 -5.05 114.28 103.59 1igz n THR 561 Ca 0.01 -2.32 -0.36 0.00 -2.27 0.00 0.00 64.05 59.11 1igz n THR 561 Cb 0.22 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1igz n THR 561 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1igz s ALA 562 N -2.02 2.81 0.08 6.98 0.00 -1.01 -4.97 121.76 123.64 1igz s ALA 562 Ca 0.35 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 53.12 1igz s ALA 562 Cb 0.36 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 20.10 1igz s ALA 562 CO -0.09 -0.79 0.26 0.99 0.00 0.00 0.00 175.76 176.12 1igz s THR 563 N -1.63 0.11 0.04 0.00 2.01 -1.26 -4.67 115.64 110.25 1igz s THR 563 Ca 0.69 -0.94 -0.21 0.00 0.31 0.00 0.00 61.69 61.54 1igz s THR 563 Cb -0.27 -1.20 -0.14 0.00 0.01 0.00 0.00 72.50 70.90 1igz s THR 563 CO 0.32 -0.52 1.39 0.25 -0.69 0.00 0.00 174.62 175.38 1igz h LEU 564 N 2.80 0.32 -1.89 4.42 6.46 -1.96 0.81 115.31 126.28 1igz h LEU 564 Ca -0.33 -0.42 0.18 0.00 -0.12 0.00 0.00 57.88 57.19 1igz h LEU 564 Cb 1.21 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 41.02 1igz h LEU 564 CO 0.52 0.66 0.48 0.50 -0.62 0.00 0.00 178.44 179.99 1igz h LYS 565 N -0.03 0.10 0.01 1.25 3.64 -1.97 -0.62 116.57 118.96 1igz h LYS 565 Ca 0.03 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 59.11 1igz h LYS 565 Cb 0.55 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 1igz h LYS 565 CO 0.02 0.07 -1.68 0.87 -2.27 0.00 0.00 179.45 176.46 1igz h LYS 566 N 0.11 0.03 0.00 1.90 1.57 -1.88 -2.51 116.57 115.78 1igz h LYS 566 Ca 0.33 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1igz h LYS 566 Cb 1.16 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1igz h LYS 566 CO -0.04 0.59 0.00 1.25 -0.57 0.00 0.00 179.45 180.69 1igz h LEU 567 N 0.01 0.00 0.00 2.94 5.85 0.72 -2.97 115.31 121.86 1igz h LEU 567 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1igz h LEU 567 Cb 2.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.03 1igz h LEU 567 CO 0.09 0.00 0.00 0.52 -0.34 0.00 0.00 178.44 178.71 1igz n VAL 568 N -2.65 0.00 0.00 1.05 0.31 -0.88 -4.57 118.33 111.59 1igz n VAL 568 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1igz n VAL 568 Cb 0.14 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1igz n VAL 568 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1igz n LEU 570 N -1.00 3.02 -1.37 0.00 4.32 -1.12 -4.20 117.00 116.65 1igz n LEU 570 Ca 0.00 -1.38 0.04 0.00 -0.02 0.00 0.00 56.01 54.65 1igz n LEU 570 Cb 0.20 -0.16 0.05 0.00 -1.62 0.00 0.00 43.42 41.89 1igz n LEU 570 CO 0.00 0.63 0.10 0.59 -1.22 0.00 0.00 177.39 177.49 1igz n ASN 571 N 1.18 1.10 -4.06 -1.43 3.02 0.44 -5.03 115.26 110.47 1igz n ASN 571 Ca 0.15 -2.27 -0.10 0.00 -0.03 0.00 0.00 54.58 52.33 1igz n ASN 571 Cb 0.52 -0.33 -0.08 0.00 -0.61 0.00 0.00 39.78 39.28 1igz n ASN 571 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1igz s THR 572 N -0.45 0.04 0.06 3.41 -4.23 -1.17 -5.02 115.64 108.28 1igz s THR 572 Ca 0.35 -1.63 -0.13 0.00 -1.18 0.00 0.00 61.69 59.10 1igz s THR 572 Cb 0.39 -2.12 -0.29 0.00 1.34 0.00 0.00 72.50 71.81 1igz s THR 572 CO -0.16 -0.18 1.11 0.11 -0.54 0.00 0.00 174.62 174.96 1igz h LYS 573 N 2.55 0.55 -5.32 3.99 1.79 -1.94 -3.47 116.57 114.73 1igz h LYS 573 Ca -0.32 -0.78 -0.41 0.00 -2.18 0.00 0.00 60.65 56.96 1igz h LYS 573 Cb 1.23 0.27 -0.14 0.00 -1.58 0.00 0.00 32.23 32.01 1igz h LYS 573 CO 0.48 1.35 -0.70 0.95 -1.08 0.00 0.00 179.45 180.45 1igz s THR 574 N -2.89 1.42 -0.50 -0.16 -4.23 -1.26 -5.11 115.64 102.90 1igz s THR 574 Ca -0.08 -2.12 -0.13 0.00 -1.18 0.00 0.00 61.69 58.18 1igz s THR 574 Cb 0.06 -2.10 0.12 0.00 1.34 0.00 0.00 72.50 71.91 1igz s THR 574 CO 0.93 -0.55 0.42 0.00 -0.54 0.00 0.00 174.62 174.88 1igz n PRO 576 N 5.10 -0.66 -3.02 0.00 -0.04 -1.26 -5.02 135.00 130.10 1igz n PRO 576 Ca -0.11 -1.24 -0.40 0.00 -0.04 0.00 0.00 63.50 61.71 1igz n PRO 576 Cb 0.41 -0.76 -0.05 0.00 -0.04 0.00 0.00 33.50 33.06 1igz n PRO 576 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1igz s TYR 577 N -2.59 3.47 -0.06 0.54 5.04 -1.26 -4.98 117.35 117.50 1igz s TYR 577 Ca 0.43 1.15 -0.03 0.00 -2.44 0.00 0.00 57.07 56.19 1igz s TYR 577 Cb -0.01 -2.86 0.04 0.00 0.35 0.00 0.00 41.96 39.47 1igz s TYR 577 CO 0.30 -0.09 0.13 0.54 -1.34 0.00 0.00 175.55 175.09 1igz s VAL 578 N 1.54 -0.10 0.08 3.14 0.11 -1.26 -3.71 120.40 120.21 1igz s VAL 578 Ca 0.35 0.23 -0.27 0.00 -2.93 0.00 0.00 61.98 59.36 1igz s VAL 578 Cb -0.17 -0.23 0.09 0.00 -1.53 0.00 0.00 36.38 34.54 1igz s VAL 578 CO 0.14 0.10 1.10 -0.94 -3.33 0.00 0.00 175.10 172.17 1igz s SER 579 N 1.45 -0.12 -0.01 3.54 1.04 -1.26 -4.68 113.70 113.65 1igz s SER 579 Ca -0.06 -0.30 0.10 0.00 0.48 0.00 0.00 55.95 56.18 1igz s SER 579 Cb -0.12 0.35 0.32 0.00 0.10 0.00 0.00 66.02 66.67 1igz s SER 579 CO -0.05 -0.65 1.24 0.49 0.98 0.00 0.00 173.24 175.24 1igz n PHE 580 N -0.49 0.54 -3.71 5.02 0.99 -1.26 -4.38 117.46 114.18 1igz n PHE 580 Ca -0.07 -0.25 -0.14 0.00 -0.00 0.00 0.00 57.45 56.99 1igz n PHE 580 Cb 0.62 -0.04 -0.08 0.00 -1.00 0.00 0.00 39.48 38.98 1igz n PHE 580 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.76 173.38 1igz s HIS 581 N -1.57 -0.26 0.61 1.38 -3.43 -1.26 -2.90 115.29 107.86 1igz s HIS 581 Ca 0.24 0.34 -0.19 0.00 -0.80 0.00 0.00 55.06 54.65 1igz s HIS 581 Cb 0.13 0.17 -0.03 0.00 -1.43 0.00 0.00 32.58 31.42 1igz s HIS 581 CO 0.15 -0.47 1.23 0.54 -2.00 0.00 0.00 174.74 174.19 1igz s VAL 582 N -1.71 2.46 0.78 -5.38 0.11 -0.19 -4.78 120.40 111.68 1igz s VAL 582 Ca -0.10 0.28 -0.11 0.00 -2.93 0.00 0.00 61.98 59.12 1igz s VAL 582 Cb -0.03 -3.11 0.07 0.00 -1.53 0.00 0.00 36.38 31.78 1igz s VAL 582 CO 0.03 -0.06 1.14 -2.16 -3.33 0.00 0.00 175.10 170.72 1igz s PRO 583 N -3.34 2.10 0.00 1.54 0.04 -1.26 -5.01 135.00 129.07 1igz s PRO 583 Ca 0.79 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1igz s PRO 583 Cb -0.32 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1igz s PRO 583 CO 0.35 -1.48 0.00 -3.47 0.04 0.00 0.00 177.00 172.44