#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iyb n GLU 3 N 0.00 1.54 -2.83 -1.46 4.07 -1.22 -4.91 120.64 115.84 2iyb n GLU 3 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.68 2iyb n GLU 3 Cb 0.00 -1.02 -0.04 0.00 -0.06 0.00 0.00 31.44 30.32 2iyb n GLU 3 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2iyb s GLN 4 N -2.02 3.79 -0.25 5.31 -1.52 -0.90 -4.91 119.66 119.17 2iyb s GLN 4 Ca -0.01 0.49 -0.21 0.00 -1.95 0.00 0.00 55.36 53.69 2iyb s GLN 4 Cb 0.00 -3.82 -0.02 0.00 -0.22 0.00 0.00 33.01 28.96 2iyb s GLN 4 CO 0.02 -0.97 0.67 0.45 -0.25 0.00 0.00 175.29 175.21 2iyb s SER 5 N 1.92 6.62 -0.03 5.90 0.15 -1.26 0.61 113.70 127.62 2iyb s SER 5 Ca 0.37 0.76 0.21 0.00 0.70 0.00 0.00 55.95 57.99 2iyb s SER 5 Cb -0.12 -2.36 -0.32 0.00 -1.71 0.00 0.00 66.02 61.52 2iyb s SER 5 CO 0.19 -0.41 0.51 2.30 1.20 0.00 0.00 173.24 177.04 2iyb n ILE 6 N 5.22 0.00 -3.83 6.45 -5.35 -0.36 -4.96 119.36 116.53 2iyb n ILE 6 Ca 0.01 -0.43 -0.10 0.00 -0.27 0.00 0.00 62.75 61.95 2iyb n ILE 6 Cb 0.49 0.13 -0.08 0.00 -1.74 0.00 0.00 39.64 38.43 2iyb n ILE 6 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2iyb s GLN 8 N -2.69 0.84 0.12 0.00 1.11 -1.26 -3.15 119.66 114.63 2iyb s GLN 8 Ca -0.04 -0.31 0.05 0.00 0.01 0.00 0.00 55.36 55.07 2iyb s GLN 8 Cb -0.00 -1.79 -0.04 0.00 -1.01 0.00 0.00 33.01 30.17 2iyb s GLN 8 CO -0.05 -0.50 -0.12 0.00 0.01 0.00 0.00 175.29 174.63 2iyb s ALA 9 N 1.83 1.40 -0.23 6.09 0.00 -0.11 -4.97 121.76 125.77 2iyb s ALA 9 Ca 0.01 -1.33 -0.09 0.00 0.00 0.00 0.00 51.96 50.55 2iyb s ALA 9 Cb -0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 2iyb s ALA 9 CO -0.07 0.01 0.13 1.03 0.00 0.00 0.00 175.76 176.86 2iyb s ARG 10 N -3.01 4.00 -0.10 0.00 0.52 -1.26 -0.10 118.95 118.99 2iyb s ARG 10 Ca 0.10 -0.31 -0.23 0.00 -0.52 0.00 0.00 55.73 54.78 2iyb s ARG 10 Cb -0.02 -3.45 0.05 0.00 0.52 0.00 0.00 34.95 32.05 2iyb s ARG 10 CO 0.02 0.07 0.55 0.00 0.02 0.00 0.00 175.30 175.96 2iyb s ALA 11 N 0.99 -1.39 -0.22 2.13 0.00 -0.81 -0.81 121.76 121.64 2iyb s ALA 11 Ca 0.06 1.18 -0.24 0.00 0.00 0.00 0.00 51.96 52.96 2iyb s ALA 11 Cb -0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 2iyb s ALA 11 CO 0.04 -0.30 0.82 0.00 0.00 0.00 0.00 175.76 176.31 2iyb s ALA 12 N -0.65 3.61 -0.10 0.00 0.00 -0.00 0.27 121.76 124.90 2iyb s ALA 12 Ca -0.07 -0.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.54 2iyb s ALA 12 Cb -0.03 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2iyb s ALA 12 CO 0.05 -0.84 0.74 0.08 0.00 0.00 0.00 175.76 175.79 2iyb s VAL 13 N 2.62 5.00 0.07 0.00 1.01 -1.26 -1.16 120.40 126.68 2iyb s VAL 13 Ca 0.35 1.50 0.09 0.00 0.00 0.00 0.00 61.98 63.91 2iyb s VAL 13 Cb -0.16 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 2iyb s VAL 13 CO 0.09 0.19 -0.23 -0.04 0.00 0.00 0.00 175.10 175.10 2iyb s MET 14 N 1.20 1.45 0.13 2.72 -1.94 0.43 -0.07 119.30 123.22 2iyb s MET 14 Ca 0.38 -1.09 0.10 0.00 -1.71 0.00 0.00 55.69 53.37 2iyb s MET 14 Cb -0.17 -1.67 -0.04 0.00 2.01 0.00 0.00 34.83 34.96 2iyb s MET 14 CO 0.17 0.42 -0.24 0.14 -0.01 0.00 0.00 175.02 175.49 2iyb s VAL 15 N -0.90 2.08 -0.24 -6.03 -7.23 0.51 0.21 120.40 108.80 2iyb s VAL 15 Ca 0.09 -1.75 -0.19 0.00 -1.81 0.00 0.00 61.98 58.33 2iyb s VAL 15 Cb -0.10 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 2iyb s VAL 15 CO 0.03 -0.01 0.54 -0.47 -0.31 0.00 0.00 175.10 174.87 2iyb s TYR 16 N -1.25 3.31 -0.68 2.82 5.04 -1.09 0.12 117.35 125.61 2iyb s TYR 16 Ca 0.13 0.72 -0.25 0.00 -2.44 0.00 0.00 57.07 55.23 2iyb s TYR 16 Cb -0.09 -2.73 0.05 0.00 0.35 0.00 0.00 41.96 39.54 2iyb s TYR 16 CO 0.06 -0.23 1.11 0.34 -1.34 0.00 0.00 175.55 175.50 2iyb s ASP 17 N 1.39 6.19 0.48 4.32 -1.08 0.26 -4.81 116.67 123.43 2iyb s ASP 17 Ca 0.23 -0.64 0.28 0.00 -0.52 0.00 0.00 52.55 51.89 2iyb s ASP 17 Cb -0.16 -2.49 1.00 0.00 -1.46 0.00 0.00 42.92 39.82 2iyb s ASP 17 CO 0.09 -1.60 1.85 0.44 0.52 0.00 0.00 175.17 176.47 2iyb h ASP 18 N 9.75 0.00 1.03 -0.34 3.32 -1.96 0.11 116.42 128.33 2iyb h ASP 18 Ca -0.28 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.70 2iyb h ASP 18 Cb 1.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2iyb h ASP 18 CO 1.22 0.11 -0.32 0.00 -1.72 0.00 0.00 179.24 178.53 2iyb h ALA 19 N 1.89 0.95 0.00 3.45 0.00 -1.95 -3.28 119.26 120.31 2iyb h ALA 19 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2iyb h ALA 19 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2iyb h ALA 19 CO 0.01 0.40 0.00 0.09 0.00 0.00 0.00 179.25 179.75 2iyb n ASN 20 N -3.40 1.40 -3.93 0.00 4.13 -1.14 -5.03 115.26 107.29 2iyb n ASN 20 Ca 0.00 -1.69 -0.25 0.00 1.68 0.00 0.00 54.58 54.32 2iyb n ASN 20 Cb 0.52 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.74 2iyb n ASN 20 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2iyb n LYS 21 N -0.35 -3.49 -3.93 3.52 5.02 0.31 -4.99 118.16 114.25 2iyb n LYS 21 Ca 0.00 0.43 -0.09 0.00 -2.02 0.00 0.00 58.31 56.63 2iyb n LYS 21 Cb 0.32 -4.63 -0.09 0.00 -0.02 0.00 0.00 35.03 30.61 2iyb n LYS 21 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2iyb s LYS 22 N -6.50 0.69 0.07 1.97 -2.85 -0.78 -5.00 119.74 107.34 2iyb s LYS 22 Ca 0.03 -0.92 -0.26 0.00 -1.00 0.00 0.00 55.97 53.82 2iyb s LYS 22 Cb -0.02 0.27 -0.06 0.00 -2.06 0.00 0.00 37.83 35.96 2iyb s LYS 22 CO 0.88 -0.19 0.81 -1.58 0.10 0.00 0.00 175.35 175.38 2iyb s TRP 23 N -3.33 3.77 0.19 1.78 0.52 -1.26 0.92 118.94 121.53 2iyb s TRP 23 Ca 0.01 1.57 0.10 0.00 0.02 0.00 0.00 56.10 57.79 2iyb s TRP 23 Cb 0.03 -2.87 -0.04 0.00 -1.15 0.00 0.00 33.47 29.44 2iyb s TRP 23 CO -0.08 0.29 -0.19 0.14 0.02 0.00 0.00 176.95 177.12 2iyb s VAL 24 N -0.17 2.01 0.19 4.03 -7.23 0.12 -4.89 120.40 114.47 2iyb s VAL 24 Ca 0.40 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 2iyb s VAL 24 Cb -0.21 -1.98 -0.08 0.00 0.56 0.00 0.00 36.38 34.67 2iyb s VAL 24 CO 0.25 -0.30 1.21 -2.84 -0.31 0.00 0.00 175.10 173.10 2iyb s PRO 25 N -2.92 4.48 0.32 4.82 0.02 -1.26 -0.36 135.00 140.10 2iyb s PRO 25 Ca 0.19 1.90 -0.29 0.00 0.02 0.00 0.00 61.00 62.82 2iyb s PRO 25 Cb -0.06 -3.23 -0.11 0.00 0.02 0.00 0.00 34.50 31.13 2iyb s PRO 25 CO 0.08 -0.09 1.43 0.00 -0.33 0.00 0.00 177.00 178.09 2iyb s ALA 26 N -0.11 3.58 -0.77 -1.55 0.00 0.90 -2.20 121.76 121.61 2iyb s ALA 26 Ca 0.53 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.89 2iyb s ALA 26 Cb -0.33 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2iyb s ALA 26 CO 0.37 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2iyb n GLY 27 N 1.21 0.91 2.67 0.00 0.00 -1.26 -4.16 105.19 104.56 2iyb n GLY 27 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2iyb n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iyb n GLY 28 N -1.70 1.86 3.87 -0.02 0.00 -0.93 -4.98 105.19 103.28 2iyb n GLY 28 Ca -0.07 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 2iyb n GLY 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iyb s SER 29 N 0.00 6.13 0.62 1.61 1.04 -1.26 -4.73 113.70 117.12 2iyb s SER 29 Ca 0.00 0.26 -0.15 0.00 0.48 0.00 0.00 55.95 56.54 2iyb s SER 29 Cb 0.00 -1.87 -0.02 0.00 0.10 0.00 0.00 66.02 64.23 2iyb s SER 29 CO 0.00 0.25 1.08 0.28 0.98 0.00 0.00 173.24 175.83 2iyb s THR 30 N -1.31 3.56 0.00 2.02 -1.32 -1.26 -4.66 115.64 112.67 2iyb s THR 30 Ca 0.27 0.73 0.00 0.00 -1.21 0.00 0.00 61.69 61.48 2iyb s THR 30 Cb -0.12 -3.26 0.00 0.00 -1.51 0.00 0.00 72.50 67.60 2iyb s THR 30 CO 0.19 -0.44 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 2iyb n GLY 31 N -0.79 3.98 3.80 6.08 0.00 -1.26 -5.08 105.19 111.91 2iyb n GLY 31 Ca 0.09 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 2iyb n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2iyb s PHE 32 N -1.84 3.32 0.27 1.61 0.08 -1.26 -4.54 117.98 115.61 2iyb s PHE 32 Ca 0.00 1.65 0.10 0.00 0.12 0.00 0.00 56.93 58.80 2iyb s PHE 32 Cb 0.00 -2.97 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 2iyb s PHE 32 CO 0.00 -0.29 -0.04 -1.12 -0.10 0.00 0.00 175.22 173.67 2iyb s SER 33 N -1.89 4.35 -0.26 1.36 0.01 0.14 -2.18 113.70 115.24 2iyb s SER 33 Ca 0.60 -0.72 -0.17 0.00 1.31 0.00 0.00 55.95 56.97 2iyb s SER 33 Cb -0.15 -0.74 -0.03 0.00 0.21 0.00 0.00 66.02 65.31 2iyb s SER 33 CO 0.20 0.01 0.46 -0.13 0.41 0.00 0.00 173.24 174.19 2iyb s ARG 34 N -3.63 4.06 -0.19 12.44 0.52 -0.25 -1.93 118.95 129.98 2iyb s ARG 34 Ca 0.31 0.23 -0.03 0.00 -0.52 0.00 0.00 55.73 55.73 2iyb s ARG 34 Cb -0.06 -3.64 -0.01 0.00 0.52 0.00 0.00 34.95 31.75 2iyb s ARG 34 CO 0.19 -0.31 -0.07 0.08 0.02 0.00 0.00 175.30 175.21 2iyb s VAL 35 N 2.16 3.31 0.20 3.52 1.01 0.85 -1.92 120.40 129.54 2iyb s VAL 35 Ca 0.19 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.72 2iyb s VAL 35 Cb -0.16 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2iyb s VAL 35 CO 0.09 0.46 -0.01 -1.00 0.00 0.00 0.00 175.10 174.65 2iyb s HIS 36 N 1.03 2.79 -0.27 5.22 3.76 0.57 -0.93 115.29 127.47 2iyb s HIS 36 Ca 0.00 -0.17 -0.08 0.00 -0.15 0.00 0.00 55.06 54.66 2iyb s HIS 36 Cb -0.15 -1.33 -0.03 0.00 1.11 0.00 0.00 32.58 32.19 2iyb s HIS 36 CO -0.00 0.54 0.11 0.42 -0.85 0.00 0.00 174.74 174.95 2iyb s ILE 37 N -1.87 4.57 -0.12 0.60 1.01 -1.19 -1.53 121.20 122.68 2iyb s ILE 37 Ca 0.28 -0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.69 2iyb s ILE 37 Cb -0.09 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2iyb s ILE 37 CO 0.19 0.27 0.20 -0.31 0.00 0.00 0.00 174.94 175.29 2iyb s TYR 38 N 1.65 3.58 -0.23 3.97 2.02 -0.37 -1.22 117.35 126.74 2iyb s TYR 38 Ca 0.06 0.58 -0.04 0.00 -0.37 0.00 0.00 57.07 57.31 2iyb s TYR 38 Cb -0.16 -2.07 -0.00 0.00 -0.40 0.00 0.00 41.96 39.33 2iyb s TYR 38 CO 0.06 0.61 -0.03 -1.58 -1.57 0.00 0.00 175.55 173.03 2iyb s HIS 39 N -0.68 2.98 -0.42 2.71 5.65 0.20 -1.82 115.29 123.92 2iyb s HIS 39 Ca 0.16 -0.98 -0.24 0.00 0.25 0.00 0.00 55.06 54.24 2iyb s HIS 39 Cb -0.13 -2.12 0.02 0.00 -1.18 0.00 0.00 32.58 29.18 2iyb s HIS 39 CO 0.05 -0.56 0.86 -1.58 -0.65 0.00 0.00 174.74 172.86 2iyb s HIS 40 N 1.47 3.01 0.03 3.88 2.46 -0.17 -2.11 115.29 123.86 2iyb s HIS 40 Ca 0.05 0.43 -0.26 0.00 0.47 0.00 0.00 55.06 55.76 2iyb s HIS 40 Cb -0.15 -3.72 -0.17 0.00 -0.13 0.00 0.00 32.58 28.41 2iyb s HIS 40 CO -0.03 -0.95 1.44 1.15 -2.47 0.00 0.00 174.74 173.88 2iyb h THR 41 N 5.94 0.85 -0.44 0.89 2.02 -1.96 0.23 112.91 120.43 2iyb h THR 41 Ca -0.24 -0.44 0.09 0.00 0.77 0.00 0.00 66.41 66.59 2iyb h THR 41 Cb 1.08 1.11 -0.10 0.00 -1.74 0.00 0.00 68.15 68.51 2iyb h THR 41 CO 0.98 0.10 -0.26 1.23 0.37 0.00 0.00 175.52 177.93 2iyb h GLY 42 N -0.52 -0.04 -0.73 2.16 0.00 -1.98 -2.73 103.07 99.23 2iyb h GLY 42 Ca -0.03 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2iyb h GLY 42 CO 0.05 -0.21 -0.23 0.70 0.00 0.00 0.00 176.54 176.85 2iyb n ASN 43 N -5.41 1.84 -3.93 0.19 3.02 -1.22 -4.97 115.26 104.78 2iyb n ASN 43 Ca 0.03 -1.43 -0.28 0.00 -0.03 0.00 0.00 54.58 52.87 2iyb n ASN 43 Cb 0.32 0.20 0.01 0.00 -0.61 0.00 0.00 39.78 39.70 2iyb n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2iyb n ASN 44 N 0.11 -2.55 -4.66 6.41 5.15 0.76 -4.99 115.26 115.48 2iyb n ASN 44 Ca 0.13 -0.89 -0.23 0.00 -0.60 0.00 0.00 54.58 52.99 2iyb n ASN 44 Cb 0.44 -3.52 -0.07 0.00 -0.53 0.00 0.00 39.78 36.09 2iyb n ASN 44 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2iyb s THR 45 N -3.55 3.26 0.00 -0.44 -4.23 -0.99 -4.95 115.64 104.75 2iyb s THR 45 Ca 0.35 -1.87 0.04 0.00 -1.18 0.00 0.00 61.69 59.04 2iyb s THR 45 Cb -0.18 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 2iyb s THR 45 CO 0.86 -0.31 -0.13 -0.36 -0.54 0.00 0.00 174.62 174.13 2iyb s PHE 46 N -2.37 1.18 0.03 3.99 0.08 -1.26 -1.00 117.98 118.63 2iyb s PHE 46 Ca 0.33 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 57.14 2iyb s PHE 46 Cb -0.05 -0.75 -0.02 0.00 -0.57 0.00 0.00 43.02 41.63 2iyb s PHE 46 CO 0.20 -0.01 -0.05 -0.98 -0.10 0.00 0.00 175.22 174.28 2iyb s ARG 47 N -0.48 0.43 -0.20 0.44 1.70 -0.75 -0.42 118.95 119.67 2iyb s ARG 47 Ca 0.04 -0.72 -0.17 0.00 -0.47 0.00 0.00 55.73 54.41 2iyb s ARG 47 Cb -0.06 -0.07 -0.03 0.00 -0.57 0.00 0.00 34.95 34.22 2iyb s ARG 47 CO -0.00 -0.01 0.47 0.08 -1.08 0.00 0.00 175.30 174.76 2iyb s VAL 48 N -1.58 5.14 -0.06 4.99 1.01 0.18 -1.24 120.40 128.83 2iyb s VAL 48 Ca -0.12 0.86 0.01 0.00 0.00 0.00 0.00 61.98 62.73 2iyb s VAL 48 Cb -0.09 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.51 2iyb s VAL 48 CO -0.01 0.20 -0.09 -0.69 0.00 0.00 0.00 175.10 174.52 2iyb s VAL 49 N 1.54 0.89 -0.07 2.92 1.01 -0.58 -0.00 120.40 126.11 2iyb s VAL 49 Ca 0.22 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2iyb s VAL 49 Cb -0.15 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.39 2iyb s VAL 49 CO 0.09 0.31 -0.07 -0.83 0.00 0.00 0.00 175.10 174.60 2iyb s GLY 50 N 0.92 0.63 -0.14 4.51 0.00 0.07 -0.31 107.32 113.00 2iyb s GLY 50 Ca -0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 44.72 44.34 2iyb s GLY 50 CO 0.01 0.50 -0.13 0.50 0.00 0.00 0.00 173.10 173.97 2iyb s ARG 51 N 1.12 3.34 0.14 2.90 0.52 -0.81 -1.14 118.95 125.03 2iyb s ARG 51 Ca -0.07 -0.70 -0.35 0.00 -0.52 0.00 0.00 55.73 54.09 2iyb s ARG 51 Cb -0.14 -2.65 -0.15 0.00 0.52 0.00 0.00 34.95 32.53 2iyb s ARG 51 CO -0.01 0.14 1.47 1.17 0.02 0.00 0.00 175.30 178.09 2iyb n LYS 52 N 3.72 1.76 -0.01 3.54 4.81 0.22 -1.08 118.16 131.11 2iyb n LYS 52 Ca -0.18 0.63 -0.03 0.00 -0.87 0.00 0.00 58.31 57.86 2iyb n LYS 52 Cb 0.52 -2.34 0.22 0.00 0.02 0.00 0.00 35.03 33.45 2iyb n LYS 52 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2iyb h ILE 53 N 3.44 1.24 0.65 3.15 2.04 -1.77 -3.35 117.51 122.91 2iyb h ILE 53 Ca -0.46 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 64.28 2iyb h ILE 53 Cb 1.29 1.16 0.01 0.00 -0.74 0.00 0.00 36.82 38.54 2iyb h ILE 53 CO 0.83 0.36 -0.31 -0.61 0.00 0.00 0.00 178.15 178.42 2iyb h GLN 54 N 0.50 -0.84 0.00 2.37 5.75 -1.90 -3.45 115.11 117.54 2iyb h GLN 54 Ca 0.09 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 2iyb h GLN 54 Cb 0.54 0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.28 2iyb h GLN 54 CO 0.03 -0.54 -0.02 -0.40 -2.65 0.00 0.00 178.83 175.25 2iyb n ASP 55 N -5.36 0.24 0.00 -0.69 5.68 -1.26 -5.05 116.55 110.11 2iyb n ASP 55 Ca -0.11 0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 2iyb n ASP 55 Cb 0.35 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2iyb n ASP 55 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2iyb n HIS 56 N -2.72 0.00 -1.57 2.11 8.25 -1.26 -5.08 115.22 114.95 2iyb n HIS 56 Ca -0.00 0.00 -0.54 0.00 -0.26 0.00 0.00 57.72 56.91 2iyb n HIS 56 Cb 0.01 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 2iyb n HIS 56 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2iyb n GLN 57 N 0.00 0.81 -2.22 -0.41 7.27 -1.26 -4.14 117.38 117.43 2iyb n GLN 57 Ca 0.00 0.29 -0.41 0.00 0.07 0.00 0.00 57.00 56.95 2iyb n GLN 57 Cb 0.00 -1.90 -0.03 0.00 2.41 0.00 0.00 30.24 30.73 2iyb n GLN 57 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2iyb s VAL 58 N 0.45 3.60 -0.55 1.69 1.01 -1.26 -0.61 120.40 124.73 2iyb s VAL 58 Ca 0.87 0.50 0.23 0.00 0.00 0.00 0.00 61.98 63.58 2iyb s VAL 58 Cb -1.05 -4.15 -0.13 0.00 0.00 0.00 0.00 36.38 31.06 2iyb s VAL 58 CO 0.50 -0.95 0.98 1.33 0.00 0.00 0.00 175.10 176.96 2iyb n VAL 59 N 7.06 0.19 -3.72 2.92 0.24 -0.29 -4.87 118.33 119.86 2iyb n VAL 59 Ca 0.17 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 62.07 2iyb n VAL 59 Cb 0.50 0.17 -0.11 0.00 -1.47 0.00 0.00 33.84 32.93 2iyb n VAL 59 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 2iyb s ILE 60 N -3.23 -0.02 -0.41 1.34 2.07 -1.16 -4.39 121.20 115.40 2iyb s ILE 60 Ca 0.03 0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.37 2iyb s ILE 60 Cb 0.14 -0.54 0.17 0.00 0.13 0.00 0.00 42.46 42.35 2iyb s ILE 60 CO 0.81 0.03 0.41 0.21 -1.91 0.00 0.00 174.94 174.49 2iyb s ASN 61 N 0.94 0.98 -0.11 4.50 2.47 -1.24 -0.75 114.94 121.73 2iyb s ASN 61 Ca -0.06 -2.22 0.03 0.00 0.42 0.00 0.00 52.86 51.03 2iyb s ASN 61 Cb -0.07 0.33 0.01 0.00 -1.45 0.00 0.00 41.25 40.07 2iyb s ASN 61 CO -0.07 -0.19 -0.21 0.00 -3.72 0.00 0.00 177.10 172.90 2iyb s ALA 63 N 0.59 2.86 -0.51 0.00 0.00 -1.26 0.47 121.76 123.91 2iyb s ALA 63 Ca -0.13 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 2iyb s ALA 63 Cb -0.17 -3.48 0.13 0.00 0.00 0.00 0.00 23.12 19.60 2iyb s ALA 63 CO 0.04 -1.06 0.42 0.42 0.00 0.00 0.00 175.76 175.58 2iyb s ILE 64 N -1.43 4.59 0.68 0.00 1.01 0.44 -4.77 121.20 121.73 2iyb s ILE 64 Ca 0.69 -1.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.46 2iyb s ILE 64 Cb -0.35 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.14 2iyb s ILE 64 CO 0.41 -0.82 1.06 -2.16 0.00 0.00 0.00 174.94 173.43 2iyb s PRO 65 N 1.35 3.00 0.27 2.79 0.04 -1.26 -4.53 135.00 136.65 2iyb s PRO 65 Ca 0.06 1.00 -0.04 0.00 0.04 0.00 0.00 61.00 62.05 2iyb s PRO 65 Cb -0.27 -2.00 0.54 0.00 0.04 0.00 0.00 34.50 32.81 2iyb s PRO 65 CO 0.00 -1.05 1.62 -0.22 0.04 0.00 0.00 177.00 177.38 2iyb h LYS 66 N -0.53 0.08 -0.49 4.56 3.64 -1.96 -2.62 116.57 119.24 2iyb h LYS 66 Ca -0.44 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2iyb h LYS 66 Cb 1.21 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2iyb h LYS 66 CO 0.57 0.05 0.00 0.41 -2.27 0.00 0.00 179.45 178.21 2iyb n GLY 67 N -1.45 1.18 3.68 5.01 0.00 -1.26 -4.88 105.19 107.47 2iyb n GLY 67 Ca 0.17 -0.42 -0.46 0.00 0.00 0.00 0.00 46.02 45.30 2iyb n GLY 67 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2iyb n LEU 68 N 0.52 3.33 -4.31 0.99 0.00 -0.99 -4.95 117.00 111.59 2iyb n LEU 68 Ca 0.13 1.05 -0.42 0.00 0.00 0.00 0.00 56.01 56.76 2iyb n LEU 68 Cb 0.43 -1.44 -0.08 0.00 0.00 0.00 0.00 43.42 42.33 2iyb n LEU 68 CO 0.11 -0.16 -0.02 -0.54 0.00 0.00 0.00 177.39 176.78 2iyb s LYS 69 N 1.86 2.77 -0.37 1.96 1.02 -1.26 -5.05 119.74 120.66 2iyb s LYS 69 Ca 0.82 -1.48 -0.17 0.00 0.02 0.00 0.00 55.97 55.17 2iyb s LYS 69 Cb -0.65 -3.98 0.00 0.00 -0.52 0.00 0.00 37.83 32.68 2iyb s LYS 69 CO 0.41 -1.04 0.44 -0.47 -0.92 0.00 0.00 175.35 173.76 2iyb s TYR 70 N 1.52 3.18 -0.38 3.18 5.04 -1.26 -4.29 117.35 124.34 2iyb s TYR 70 Ca 0.04 -0.05 -0.09 0.00 -2.44 0.00 0.00 57.07 54.52 2iyb s TYR 70 Cb -0.25 -2.84 0.05 0.00 0.35 0.00 0.00 41.96 39.28 2iyb s TYR 70 CO 0.04 -0.55 0.19 1.21 -1.34 0.00 0.00 175.55 175.10 2iyb s ASN 71 N 1.77 5.58 -1.29 4.32 3.04 0.14 -4.98 114.94 123.53 2iyb s ASN 71 Ca 0.14 -1.19 -0.18 0.00 0.04 0.00 0.00 52.86 51.67 2iyb s ASN 71 Cb -0.16 -1.97 0.07 0.00 -1.54 0.00 0.00 41.25 37.65 2iyb s ASN 71 CO 0.13 -0.41 1.72 -1.10 -3.04 0.00 0.00 177.10 174.40 2iyb s GLN 72 N 1.47 3.99 -0.98 0.43 -0.21 -1.26 -0.28 119.66 122.81 2iyb s GLN 72 Ca 0.01 -2.00 -0.02 0.00 0.02 0.00 0.00 55.36 53.37 2iyb s GLN 72 Cb -0.20 -5.52 0.30 0.00 1.00 0.00 0.00 33.01 28.58 2iyb s GLN 72 CO 0.04 -2.24 1.36 0.00 -2.12 0.00 0.00 175.29 172.33 2iyb n ALA 73 N 8.32 5.03 0.00 6.09 0.00 -0.99 -4.75 120.51 134.21 2iyb n ALA 73 Ca 0.48 -4.79 0.00 0.00 0.00 0.00 0.00 53.44 49.13 2iyb n ALA 73 Cb 0.46 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.88 2iyb n ALA 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2iyb n THR 74 N 1.10 0.00 0.12 0.00 -1.04 -1.25 -4.73 114.28 108.47 2iyb n THR 74 Ca 0.28 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.32 2iyb n THR 74 Cb 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 2iyb n THR 74 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2iyb h GLN 75 N 0.00 0.00 -0.01 -2.82 4.20 -2.01 -3.32 115.11 111.15 2iyb h GLN 75 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2iyb h GLN 75 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2iyb h GLN 75 CO 0.00 0.43 -0.12 0.25 -0.67 0.00 0.00 178.83 178.72 2iyb n THR 76 N -3.13 0.00 -3.98 -0.54 -2.24 -1.26 -4.77 114.28 98.35 2iyb n THR 76 Ca -0.00 -0.44 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 2iyb n THR 76 Cb 0.75 1.09 -0.16 0.00 -2.10 0.00 0.00 70.33 69.91 2iyb n THR 76 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2iyb s PHE 77 N -1.00 2.29 0.09 4.78 5.36 -1.25 -0.65 117.98 127.59 2iyb s PHE 77 Ca 0.06 -1.47 0.09 0.00 -0.96 0.00 0.00 56.93 54.66 2iyb s PHE 77 Cb 0.06 -1.59 -0.04 0.00 -0.34 0.00 0.00 43.02 41.11 2iyb s PHE 77 CO 0.16 -0.72 -0.23 -1.01 -1.46 0.00 0.00 175.22 171.97 2iyb s HIS 78 N 1.44 2.43 0.05 10.12 3.76 -0.72 -2.34 115.29 130.03 2iyb s HIS 78 Ca -0.00 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.57 2iyb s HIS 78 Cb -0.16 -1.35 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 2iyb s HIS 78 CO -0.08 0.29 -0.03 1.14 -0.85 0.00 0.00 174.74 175.20 2iyb s GLN 79 N -1.78 0.59 0.11 1.40 -2.07 0.62 0.44 119.66 118.97 2iyb s GLN 79 Ca 0.15 -1.18 -0.14 0.00 -1.82 0.00 0.00 55.36 52.36 2iyb s GLN 79 Cb -0.10 0.20 0.03 0.00 -1.09 0.00 0.00 33.01 32.05 2iyb s GLN 79 CO 0.06 -0.11 0.35 1.67 -1.32 0.00 0.00 175.29 175.94 2iyb s TRP 80 N -3.78 -0.12 -0.19 9.60 -2.14 -0.72 0.25 118.94 121.84 2iyb s TRP 80 Ca 0.06 -0.20 -0.12 0.00 2.66 0.00 0.00 56.10 58.49 2iyb s TRP 80 Cb 0.07 0.18 -0.05 0.00 -3.10 0.00 0.00 33.47 30.57 2iyb s TRP 80 CO -0.09 -0.65 0.22 0.50 -2.66 0.00 0.00 176.95 174.26 2iyb s ARG 81 N -3.73 4.20 -0.36 3.25 3.52 -1.26 -0.68 118.95 123.90 2iyb s ARG 81 Ca 0.03 -0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.59 2iyb s ARG 81 Cb 0.02 -3.45 0.10 0.00 -1.56 0.00 0.00 34.95 30.07 2iyb s ARG 81 CO -0.11 0.22 0.09 0.34 -0.81 0.00 0.00 175.30 175.02 2iyb s ASP 82 N 0.55 4.90 0.92 -2.12 2.15 0.13 -4.77 116.67 118.43 2iyb s ASP 82 Ca 0.12 -2.08 0.00 0.00 0.43 0.00 0.00 52.55 51.02 2iyb s ASP 82 Cb -0.12 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 40.81 2iyb s ASP 82 CO 0.02 -0.42 0.00 0.00 -0.17 0.00 0.00 175.17 174.60 2iyb n ALA 83 N 4.36 0.00 -0.26 3.66 0.00 -1.26 -0.70 120.51 126.31 2iyb n ALA 83 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2iyb n ALA 83 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2iyb n ALA 83 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2iyb n ARG 84 N 0.00 0.00 -4.09 0.00 0.00 -1.26 -4.71 116.66 106.61 2iyb n ARG 84 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 2iyb n ARG 84 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.35 2iyb n ARG 84 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2iyb s GLN 85 N 0.00 0.60 -0.19 2.89 0.74 0.12 -5.13 119.66 118.68 2iyb s GLN 85 Ca 0.00 -0.94 -0.02 0.00 0.05 0.00 0.00 55.36 54.45 2iyb s GLN 85 Cb 0.00 -0.19 -0.00 0.00 1.10 0.00 0.00 33.01 33.92 2iyb s GLN 85 CO 0.00 0.01 -0.10 0.08 -0.55 0.00 0.00 175.29 174.73 2iyb s VAL 86 N -2.20 2.98 0.01 1.34 1.01 -1.26 0.21 120.40 122.48 2iyb s VAL 86 Ca -0.03 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 2iyb s VAL 86 Cb -0.04 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 2iyb s VAL 86 CO -0.02 0.47 0.30 -0.31 0.00 0.00 0.00 175.10 175.54 2iyb s TYR 87 N 1.17 3.60 0.03 5.22 2.02 0.14 -2.69 117.35 126.85 2iyb s TYR 87 Ca 0.02 0.66 0.06 0.00 -0.37 0.00 0.00 57.07 57.44 2iyb s TYR 87 Cb -0.14 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.34 2iyb s TYR 87 CO -0.03 0.61 -0.17 0.20 -1.57 0.00 0.00 175.55 174.59 2iyb s GLY 88 N -1.56 0.90 -0.20 0.71 0.00 0.13 -1.76 107.32 105.55 2iyb s GLY 88 Ca 0.27 -0.87 -0.01 0.00 0.00 0.00 0.00 44.72 44.11 2iyb s GLY 88 CO 0.15 -0.80 -0.14 1.08 0.00 0.00 0.00 173.10 173.39 2iyb s LEU 89 N -0.93 2.45 -0.70 0.66 1.43 0.17 -0.43 118.68 121.33 2iyb s LEU 89 Ca 0.05 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 2iyb s LEU 89 Cb -0.08 -1.57 0.18 0.00 0.03 0.00 0.00 46.19 44.75 2iyb s LEU 89 CO 0.01 -0.02 0.62 0.21 0.23 0.00 0.00 176.35 177.41 2iyb s ASN 90 N 1.35 6.31 0.37 2.29 2.47 -0.31 -1.75 114.94 125.67 2iyb s ASN 90 Ca 0.05 -2.46 -0.26 0.00 0.42 0.00 0.00 52.86 50.61 2iyb s ASN 90 Cb -0.14 -2.14 -0.09 0.00 -1.45 0.00 0.00 41.25 37.44 2iyb s ASN 90 CO -0.09 -0.61 1.09 -0.36 -3.72 0.00 0.00 177.10 173.41 2iyb s PHE 91 N 0.53 3.30 0.14 0.43 0.08 0.18 -0.82 117.98 121.81 2iyb s PHE 91 Ca 0.14 1.64 -0.18 0.00 0.12 0.00 0.00 56.93 58.64 2iyb s PHE 91 Cb -0.17 -3.24 -0.02 0.00 -0.57 0.00 0.00 43.02 39.02 2iyb s PHE 91 CO -0.05 -0.79 1.78 0.78 -0.10 0.00 0.00 175.22 176.84 2iyb h GLY 92 N 2.88 0.38 -2.16 4.36 0.00 -1.30 -3.45 103.07 103.77 2iyb h GLY 92 Ca -0.48 -0.11 -0.44 0.00 0.00 0.00 0.00 47.33 46.29 2iyb h GLY 92 CO 0.64 0.10 -0.62 -1.35 0.00 0.00 0.00 176.54 175.30 2iyb s SER 93 N -5.40 2.15 0.48 0.19 1.04 -1.26 -5.02 113.70 105.88 2iyb s SER 93 Ca -0.13 -1.34 0.26 0.00 0.48 0.00 0.00 55.95 55.21 2iyb s SER 93 Cb 0.10 -0.04 1.20 0.00 0.10 0.00 0.00 66.02 67.38 2iyb s SER 93 CO 0.70 -0.59 1.96 0.50 0.98 0.00 0.00 173.24 176.79 2iyb h LYS 94 N 2.22 0.00 0.07 4.02 1.63 -1.89 -2.76 116.57 119.86 2iyb h LYS 94 Ca -0.40 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2iyb h LYS 94 Cb 1.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 2iyb h LYS 94 CO 0.67 0.18 -0.03 1.49 -3.45 0.00 0.00 179.45 178.31 2iyb h GLU 95 N 0.00 -0.09 -0.41 1.90 4.57 -1.95 -1.45 114.58 117.15 2iyb h GLU 95 Ca -0.00 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2iyb h GLU 95 Cb 0.53 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 2iyb h GLU 95 CO 0.02 0.09 0.27 -0.44 -1.18 0.00 0.00 179.01 177.77 2iyb h ASP 96 N -0.25 0.46 -0.36 1.04 3.32 -1.88 -1.61 116.42 117.13 2iyb h ASP 96 Ca -0.01 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.10 2iyb h ASP 96 Cb 0.21 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 2iyb h ASP 96 CO 0.02 0.33 -0.00 0.00 -1.72 0.00 0.00 179.24 177.87 2iyb h ALA 97 N 1.16 0.33 -0.29 3.45 0.00 -1.46 -2.24 119.26 120.21 2iyb h ALA 97 Ca 0.15 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2iyb h ALA 97 Cb -0.05 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2iyb h ALA 97 CO -0.04 -0.40 0.15 -0.91 0.00 0.00 0.00 179.25 178.06 2iyb h ASN 98 N 0.10 0.24 -0.50 0.00 2.35 -0.83 -1.67 115.58 115.26 2iyb h ASN 98 Ca 0.18 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 2iyb h ASN 98 Cb 0.24 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 2iyb h ASN 98 CO -0.30 0.18 -0.12 -0.37 -1.65 0.00 0.00 177.43 175.17 2iyb h VAL 99 N 0.32 1.27 -0.31 2.81 -1.51 -1.17 -1.85 116.25 115.81 2iyb h VAL 99 Ca 0.12 -1.27 -0.02 0.00 -1.23 0.00 0.00 66.70 64.29 2iyb h VAL 99 Cb 0.02 1.05 -0.01 0.00 -2.13 0.00 0.00 31.29 30.22 2iyb h VAL 99 CO -0.07 0.44 0.11 0.15 -1.23 0.00 0.00 177.57 176.97 2iyb h PHE 100 N 0.83 0.49 -0.70 5.19 3.57 -1.37 -1.87 116.94 123.07 2iyb h PHE 100 Ca 0.13 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2iyb h PHE 100 Cb 0.69 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 2iyb h PHE 100 CO 0.05 0.49 0.44 0.00 -2.23 0.00 0.00 178.31 177.05 2iyb h ALA 101 N 0.95 0.89 0.13 2.41 0.00 -1.17 0.41 119.26 122.88 2iyb h ALA 101 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2iyb h ALA 101 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2iyb h ALA 101 CO -0.01 0.35 -0.12 0.77 0.00 0.00 0.00 179.25 180.24 2iyb h SER 102 N 0.95 -0.31 -0.50 0.00 0.02 -1.29 -1.25 113.55 111.16 2iyb h SER 102 Ca 0.25 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.26 2iyb h SER 102 Cb -0.06 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2iyb h SER 102 CO -0.05 -0.19 0.30 0.00 -1.14 0.00 0.00 176.83 175.76 2iyb h ALA 103 N 0.58 0.65 -0.04 3.77 0.00 -0.75 0.10 119.26 123.57 2iyb h ALA 103 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2iyb h ALA 103 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2iyb h ALA 103 CO -0.03 0.00 -0.04 1.98 0.00 0.00 0.00 179.25 181.17 2iyb h MET 104 N 0.60 -0.05 -0.49 0.00 -1.53 -0.09 0.86 114.93 114.23 2iyb h MET 104 Ca 0.20 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.43 2iyb h MET 104 Cb 0.02 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.06 2iyb h MET 104 CO -0.09 -0.04 0.15 0.52 0.14 0.00 0.00 176.91 177.59 2iyb h MET 105 N -0.06 0.72 -0.39 0.39 2.86 -0.96 -1.58 114.93 115.92 2iyb h MET 105 Ca 0.03 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 2iyb h MET 105 Cb 0.10 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2iyb h MET 105 CO -0.07 0.63 0.01 1.25 1.06 0.00 0.00 176.91 179.79 2iyb h HIS 106 N 0.71 0.74 -0.89 -0.22 -0.00 -0.67 -1.35 115.15 113.47 2iyb h HIS 106 Ca 0.16 -0.13 0.04 0.00 -0.00 0.00 0.00 60.37 60.45 2iyb h HIS 106 Cb 0.22 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.38 2iyb h HIS 106 CO 0.01 0.76 0.57 0.00 -0.00 0.00 0.00 177.93 179.27 2iyb h ALA 107 N 0.89 1.20 0.00 5.26 0.00 -0.50 -2.31 119.26 123.79 2iyb h ALA 107 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2iyb h ALA 107 Cb 0.46 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2iyb h ALA 107 CO 0.02 0.39 0.00 -0.07 0.00 0.00 0.00 179.25 179.59 2iyb h LEU 108 N 1.09 0.00 0.02 0.00 3.38 -1.10 -2.33 115.31 116.36 2iyb h LEU 108 Ca 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 2iyb h LEU 108 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2iyb h LEU 108 CO -0.14 0.00 -0.01 -0.33 0.09 0.00 0.00 178.44 178.05 2iyb h GLU 109 N 0.00 -0.02 -0.62 1.13 5.08 -0.71 -2.93 114.58 116.51 2iyb h GLU 109 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 2iyb h GLU 109 Cb 0.72 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 2iyb h GLU 109 CO 0.00 0.60 0.29 0.28 -1.00 0.00 0.00 179.01 179.18 2iyb h VAL 110 N -0.67 0.87 0.00 3.13 2.07 -1.42 -1.59 116.25 118.65 2iyb h VAL 110 Ca -0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2iyb h VAL 110 Cb 0.63 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2iyb h VAL 110 CO 0.00 0.10 0.00 -0.07 0.02 0.00 0.00 177.57 177.62 2iyb h LEU 111 N 0.53 0.00 -3.27 2.57 3.38 -1.49 -2.90 115.31 114.12 2iyb h LEU 111 Ca 0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 2iyb h LEU 111 Cb 0.28 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2iyb h LEU 111 CO -0.24 0.00 -0.02 0.59 0.09 0.00 0.00 178.44 178.87 2iyb n ASN 112 N -2.72 3.33 -0.47 -0.43 3.02 -0.62 -4.84 115.26 112.52 2iyb n ASN 112 Ca 0.00 -3.26 0.14 0.00 -0.03 0.00 0.00 54.58 51.43 2iyb n ASN 112 Cb 0.21 -0.57 0.54 0.00 -0.61 0.00 0.00 39.78 39.35 2iyb n ASN 112 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44