#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3z n ASP 2 N 0.00 1.85 -4.78 7.83 2.03 -1.26 -5.09 116.55 117.12 1i3z n ASP 2 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 1i3z n ASP 2 Cb 0.00 0.20 -0.03 0.00 -0.72 0.00 0.00 41.12 40.57 1i3z n ASP 2 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1i3z s LEU 3 N -2.02 4.09 0.42 -2.67 1.02 -1.26 -4.96 118.68 113.30 1i3z s LEU 3 Ca 0.00 2.11 0.11 0.00 0.02 0.00 0.00 54.13 56.38 1i3z s LEU 3 Cb 0.00 -4.21 0.96 0.00 0.02 0.00 0.00 46.19 42.96 1i3z s LEU 3 CO 0.00 -0.62 2.01 -0.65 0.02 0.00 0.00 176.35 177.10 1i3z h PRO 4 N 2.34 0.45 -0.02 1.29 0.11 -2.00 -2.32 132.00 131.85 1i3z h PRO 4 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1i3z h PRO 4 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1i3z h PRO 4 CO 0.62 0.30 -0.03 2.48 -0.21 0.00 0.00 178.00 181.16 1i3z n TYR 5 N -4.47 0.00 -2.38 0.65 0.18 -1.26 -2.16 117.16 107.71 1i3z n TYR 5 Ca 0.07 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.42 1i3z n TYR 5 Cb 0.26 -0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.19 1i3z n TYR 5 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1i3z s TYR 6 N -2.04 2.48 -0.19 -3.48 5.04 -0.88 -1.62 117.35 116.67 1i3z s TYR 6 Ca 0.32 0.71 -0.08 0.00 -2.44 0.00 0.00 57.07 55.58 1i3z s TYR 6 Cb 0.20 -4.23 -0.04 0.00 0.35 0.00 0.00 41.96 38.24 1i3z s TYR 6 CO 0.33 -1.89 0.08 -1.01 -1.34 0.00 0.00 175.55 171.73 1i3z s HIS 7 N 5.15 3.30 -0.21 4.97 3.76 0.13 -4.81 115.29 127.58 1i3z s HIS 7 Ca 0.59 0.14 0.01 0.00 -0.15 0.00 0.00 55.06 55.66 1i3z s HIS 7 Cb -0.14 -2.11 -0.14 0.00 1.11 0.00 0.00 32.58 31.30 1i3z s HIS 7 CO 0.31 0.18 -0.19 0.41 -0.85 0.00 0.00 174.74 174.60 1i3z n GLY 8 N 3.58 -0.30 3.56 -2.22 0.00 -1.26 -3.82 105.19 104.73 1i3z n GLY 8 Ca -0.16 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1i3z n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3z s LEU 10 N 5.14 -0.88 0.62 0.00 2.96 -1.26 -5.09 118.68 120.17 1i3z s LEU 10 Ca 0.47 0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 54.52 1i3z s LEU 10 Cb -0.00 1.63 -0.02 0.00 0.50 0.00 0.00 46.19 48.30 1i3z s LEU 10 CO -0.09 -0.16 1.08 0.42 -1.32 0.00 0.00 176.35 176.28 1i3z s THR 11 N 2.91 3.59 0.16 3.68 -4.23 -1.26 -4.79 115.64 115.69 1i3z s THR 11 Ca 0.14 0.73 -0.24 0.00 -1.18 0.00 0.00 61.69 61.15 1i3z s THR 11 Cb -0.08 -3.27 0.04 0.00 1.34 0.00 0.00 72.50 70.53 1i3z s THR 11 CO -0.20 -0.46 1.60 0.50 -0.54 0.00 0.00 174.62 175.52 1i3z h LYS 12 N 0.22 -0.27 -0.45 3.99 3.64 -1.98 0.77 116.57 122.49 1i3z h LYS 12 Ca -0.47 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1i3z h LYS 12 Cb 1.23 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 1i3z h LYS 12 CO 0.56 -0.18 0.29 -0.09 -2.27 0.00 0.00 179.45 177.76 1i3z h ARG 13 N -0.28 0.59 -0.85 1.90 2.43 -1.97 0.20 114.38 116.40 1i3z h ARG 13 Ca 0.15 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1i3z h ARG 13 Cb 0.54 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 1i3z h ARG 13 CO -0.50 0.41 0.54 0.93 -1.51 0.00 0.00 179.97 179.84 1i3z h GLU 14 N 0.60 1.01 -0.10 0.20 5.08 -1.49 0.44 114.58 120.32 1i3z h GLU 14 Ca 0.16 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1i3z h GLU 14 Cb -0.05 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 1i3z h GLU 14 CO -0.03 0.67 -0.49 0.00 -1.00 0.00 0.00 179.01 178.16 1i3z h GLU 16 N 0.21 0.35 -0.34 0.00 5.08 0.12 -0.26 114.58 119.75 1i3z h GLU 16 Ca 0.01 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.02 1i3z h GLU 16 Cb 0.94 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1i3z h GLU 16 CO 0.08 0.88 -0.20 0.00 -1.00 0.00 0.00 179.01 178.76 1i3z h ALA 17 N 1.06 1.02 0.00 3.43 0.00 0.50 -2.10 119.26 123.17 1i3z h ALA 17 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1i3z h ALA 17 Cb 1.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1i3z h ALA 17 CO 0.11 0.59 -0.25 1.28 0.00 0.00 0.00 179.25 180.97 1i3z n LEU 18 N -4.13 0.58 -0.11 0.00 4.77 -0.47 -3.30 117.00 114.34 1i3z n LEU 18 Ca 0.00 0.39 -0.19 0.00 -0.03 0.00 0.00 56.01 56.18 1i3z n LEU 18 Cb 0.40 -0.30 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 1i3z n LEU 18 CO 0.43 -0.07 -1.29 0.18 -1.33 0.00 0.00 177.39 175.31 1i3z n LEU 19 N -1.98 2.88 -0.02 2.23 4.77 -0.15 -4.37 117.00 120.37 1i3z n LEU 19 Ca 0.05 -0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.81 1i3z n LEU 19 Cb 0.40 -0.93 -0.10 0.00 -2.33 0.00 0.00 43.42 40.46 1i3z n LEU 19 CO 0.32 0.91 0.40 -0.07 -1.33 0.00 0.00 177.39 177.62 1i3z h LEU 20 N -0.05 0.33 -2.69 2.23 3.38 -1.53 -2.98 115.31 114.00 1i3z h LEU 20 Ca -0.57 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 56.69 1i3z h LEU 20 Cb 1.90 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1i3z h LEU 20 CO -0.09 0.99 0.00 2.29 0.09 0.00 0.00 178.44 181.72 1i3z n LYS 21 N -4.45 0.92 -0.09 1.13 2.85 -1.21 -3.39 118.16 113.93 1i3z n LYS 21 Ca -0.09 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.05 1i3z n LYS 21 Cb 0.52 -1.04 -0.05 0.00 -0.65 0.00 0.00 35.03 33.81 1i3z n LYS 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1i3z n GLY 22 N 1.18 -0.71 0.00 2.58 0.00 -1.12 -4.99 105.19 102.12 1i3z n GLY 22 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1i3z n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3z n GLY 23 N 1.48 1.72 3.79 -0.02 0.00 -1.22 -5.11 105.19 105.83 1i3z n GLY 23 Ca -0.20 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1i3z n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i3z s VAL 24 N 0.00 3.68 0.79 1.61 1.01 -1.26 -4.99 120.40 121.24 1i3z s VAL 24 Ca 0.00 1.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 1i3z s VAL 24 Cb 0.00 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.99 1i3z s VAL 24 CO 0.00 -0.19 1.14 -1.81 0.00 0.00 0.00 175.10 174.24 1i3z s ASP 25 N -1.88 4.04 0.00 3.32 -0.00 -1.26 -3.54 116.67 117.35 1i3z s ASP 25 Ca 0.67 2.08 0.00 0.00 -0.00 0.00 0.00 52.55 55.29 1i3z s ASP 25 Cb -0.18 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.18 1i3z s ASP 25 CO 0.22 -2.35 0.00 0.61 -0.00 0.00 0.00 175.17 173.65 1i3z n GLY 26 N -0.32 0.54 3.71 0.21 0.00 0.43 -4.86 105.19 104.90 1i3z n GLY 26 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1i3z n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i3z s ASN 27 N -2.89 7.15 0.07 1.61 0.01 -1.23 0.09 114.94 119.75 1i3z s ASN 27 Ca 0.00 1.87 -0.08 0.00 -0.71 0.00 0.00 52.86 53.94 1i3z s ASN 27 Cb 0.00 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 39.08 1i3z s ASN 27 CO 0.00 -0.43 0.16 0.72 -1.51 0.00 0.00 177.10 176.04 1i3z s PHE 28 N 1.28 0.17 0.24 2.20 -0.12 -0.72 0.95 117.98 121.97 1i3z s PHE 28 Ca 0.56 -0.54 -0.17 0.00 -0.05 0.00 0.00 56.93 56.73 1i3z s PHE 28 Cb -0.26 -0.09 0.02 0.00 -0.63 0.00 0.00 43.02 42.06 1i3z s PHE 28 CO 0.27 -0.48 0.57 -0.48 -0.05 0.00 0.00 175.22 175.05 1i3z s LEU 29 N -2.60 0.03 -0.12 -1.99 0.05 -0.73 -1.18 118.68 112.15 1i3z s LEU 29 Ca 0.02 -0.65 -0.02 0.00 0.05 0.00 0.00 54.13 53.52 1i3z s LEU 29 Cb 0.03 2.22 -0.03 0.00 -2.05 0.00 0.00 46.19 46.36 1i3z s LEU 29 CO -0.09 -1.17 -0.03 -0.63 -0.55 0.00 0.00 176.35 173.89 1i3z s ILE 30 N -3.93 4.03 0.28 1.48 1.01 -0.64 -1.27 121.20 122.15 1i3z s ILE 30 Ca 0.14 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1i3z s ILE 30 Cb -0.02 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 1i3z s ILE 30 CO 0.04 0.55 0.12 0.00 0.00 0.00 0.00 174.94 175.64 1i3z s ARG 31 N -0.27 1.48 0.21 2.79 1.70 -0.83 0.18 118.95 124.22 1i3z s ARG 31 Ca 0.05 -1.82 -0.30 0.00 -0.47 0.00 0.00 55.73 53.19 1i3z s ARG 31 Cb -0.13 -0.22 -0.08 0.00 -0.57 0.00 0.00 34.95 33.95 1i3z s ARG 31 CO 0.02 -0.35 0.95 -0.51 -1.08 0.00 0.00 175.30 174.33 1i3z s ASP 32 N -3.34 7.60 0.29 -2.89 -0.00 -1.25 -0.38 116.67 116.70 1i3z s ASP 32 Ca 0.37 1.93 -0.29 0.00 -0.00 0.00 0.00 52.55 54.55 1i3z s ASP 32 Cb 0.07 -2.61 -0.10 0.00 -0.00 0.00 0.00 42.92 40.29 1i3z s ASP 32 CO 0.15 0.10 1.11 -0.55 -0.00 0.00 0.00 175.17 175.98 1i3z s SER 33 N -0.92 7.23 -0.02 0.27 0.15 -0.27 -4.77 113.70 115.37 1i3z s SER 33 Ca 0.42 2.28 0.08 0.00 0.70 0.00 0.00 55.95 59.44 1i3z s SER 33 Cb -0.26 -2.63 -0.23 0.00 -1.71 0.00 0.00 66.02 61.19 1i3z s SER 33 CO 0.32 -0.17 0.76 -0.33 1.20 0.00 0.00 173.24 175.02 1i3z h GLU 34 N 3.74 0.05 0.10 5.44 5.08 -1.94 -3.40 114.58 123.65 1i3z h GLU 34 Ca -0.47 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 57.65 1i3z h GLU 34 Cb 1.21 0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.51 1i3z h GLU 34 CO 0.67 0.71 -0.65 0.77 -1.00 0.00 0.00 179.01 179.51 1i3z h SER 35 N 0.01 0.39 -3.59 1.42 0.02 -1.98 -3.41 113.55 106.41 1i3z h SER 35 Ca -0.25 -0.94 -0.72 0.00 -0.84 0.00 0.00 61.79 59.05 1i3z h SER 35 Cb 1.98 -0.13 -0.32 0.00 0.14 0.00 0.00 62.40 64.07 1i3z h SER 35 CO 0.10 1.30 -0.36 -0.69 -1.14 0.00 0.00 176.83 176.03 1i3z s VAL 36 N -2.50 4.05 0.14 2.27 1.01 -1.26 -5.06 120.40 119.06 1i3z s VAL 36 Ca -0.14 -2.20 -0.31 0.00 0.00 0.00 0.00 61.98 59.32 1i3z s VAL 36 Cb 0.00 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 1i3z s VAL 36 CO 0.81 -0.81 1.60 -2.84 0.00 0.00 0.00 175.10 173.86 1i3z s PRO 37 N 0.84 4.20 0.00 2.72 0.02 -1.26 -1.41 135.00 140.11 1i3z s PRO 37 Ca 0.10 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.50 1i3z s PRO 37 Cb -0.22 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.03 1i3z s PRO 37 CO -0.03 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 1i3z n GLY 38 N 3.84 2.12 3.94 0.52 0.00 -1.26 -5.06 105.19 109.28 1i3z n GLY 38 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1i3z n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3z s ALA 39 N -2.55 3.44 0.33 4.61 0.00 -0.50 -4.67 121.76 122.41 1i3z s ALA 39 Ca 0.00 -1.00 0.10 0.00 0.00 0.00 0.00 51.96 51.06 1i3z s ALA 39 Cb 0.00 -2.42 -0.06 0.00 0.00 0.00 0.00 23.12 20.64 1i3z s ALA 39 CO 0.00 -0.98 -0.08 -0.51 0.00 0.00 0.00 175.76 174.19 1i3z s LEU 40 N -5.01 2.78 -0.11 0.00 1.43 0.89 -1.12 118.68 117.55 1i3z s LEU 40 Ca 0.57 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1i3z s LEU 40 Cb -0.11 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 45.02 1i3z s LEU 40 CO 0.43 -0.17 -0.10 0.00 0.23 0.00 0.00 176.35 176.73 1i3z s LEU 42 N 1.37 4.15 -0.05 0.00 2.96 0.21 -1.97 118.68 125.35 1i3z s LEU 42 Ca -0.01 1.15 0.06 0.00 -0.22 0.00 0.00 54.13 55.11 1i3z s LEU 42 Cb -0.14 -3.23 -0.01 0.00 0.50 0.00 0.00 46.19 43.31 1i3z s LEU 42 CO -0.05 -0.43 -0.24 0.00 -1.32 0.00 0.00 176.35 174.30 1i3z s VAL 44 N -0.30 0.09 0.05 0.00 0.11 -0.11 -1.77 120.40 118.48 1i3z s VAL 44 Ca 0.01 -0.78 -0.17 0.00 -2.93 0.00 0.00 61.98 58.11 1i3z s VAL 44 Cb -0.13 -0.23 -0.06 0.00 -1.53 0.00 0.00 36.38 34.43 1i3z s VAL 44 CO 0.02 -0.43 0.49 -0.94 -3.33 0.00 0.00 175.10 170.92 1i3z s SER 45 N -1.26 6.92 -0.28 3.54 1.04 0.27 -0.19 113.70 123.75 1i3z s SER 45 Ca -0.14 1.11 -0.12 0.00 0.48 0.00 0.00 55.95 57.28 1i3z s SER 45 Cb -0.09 -2.30 0.10 0.00 0.10 0.00 0.00 66.02 63.84 1i3z s SER 45 CO -0.01 0.28 0.64 0.12 0.98 0.00 0.00 173.24 175.25 1i3z s PHE 46 N -1.14 -1.16 -1.34 5.02 5.36 -0.54 0.16 117.98 124.34 1i3z s PHE 46 Ca 0.28 2.15 -0.00 0.00 -0.96 0.00 0.00 56.93 58.39 1i3z s PHE 46 Cb -0.18 0.68 0.00 0.00 -0.34 0.00 0.00 43.02 43.18 1i3z s PHE 46 CO 0.17 -0.59 0.62 1.63 -1.46 0.00 0.00 175.22 175.59 1i3z n LYS 47 N 4.96 -4.45 -2.92 10.12 5.02 -1.26 -2.77 118.16 126.86 1i3z n LYS 47 Ca -0.15 0.56 -0.22 0.00 -2.02 0.00 0.00 58.31 56.47 1i3z n LYS 47 Cb 0.53 -4.99 0.03 0.00 -0.02 0.00 0.00 35.03 30.58 1i3z n LYS 47 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1i3z n LYS 48 N -4.31 -4.43 -3.61 1.97 -0.00 -1.26 -4.98 118.16 101.54 1i3z n LYS 48 Ca -0.30 0.93 -0.13 0.00 -0.00 0.00 0.00 58.31 58.81 1i3z n LYS 48 Cb 0.68 -5.75 -0.05 0.00 -0.00 0.00 0.00 35.03 29.90 1i3z n LYS 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1i3z s LEU 49 N -6.55 0.15 -0.13 -5.58 1.43 -1.11 -5.07 118.68 101.81 1i3z s LEU 49 Ca 0.26 -0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1i3z s LEU 49 Cb -0.11 1.97 -0.04 0.00 0.03 0.00 0.00 46.19 48.03 1i3z s LEU 49 CO 0.32 -0.75 0.16 -0.69 0.23 0.00 0.00 176.35 175.62 1i3z s VAL 50 N -2.87 5.45 -0.19 -1.59 1.01 -1.26 -1.47 120.40 119.48 1i3z s VAL 50 Ca -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1i3z s VAL 50 Cb -0.00 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1i3z s VAL 50 CO -0.05 0.57 -0.12 -0.31 0.00 0.00 0.00 175.10 175.19 1i3z s TYR 51 N -0.65 2.86 -0.13 5.22 1.51 0.74 -4.91 117.35 121.98 1i3z s TYR 51 Ca 0.14 -1.12 -0.02 0.00 -1.01 0.00 0.00 57.07 55.06 1i3z s TYR 51 Cb -0.12 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1i3z s TYR 51 CO 0.03 -0.57 -0.06 -1.12 -1.11 0.00 0.00 175.55 172.73 1i3z s SER 52 N 1.17 4.65 -0.23 2.29 0.01 -1.26 -0.93 113.70 119.40 1i3z s SER 52 Ca 0.01 -0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.15 1i3z s SER 52 Cb -0.14 -1.65 0.04 0.00 0.21 0.00 0.00 66.02 64.48 1i3z s SER 52 CO -0.04 0.21 -0.13 -0.31 0.41 0.00 0.00 173.24 173.37 1i3z s TYR 53 N 0.14 3.03 0.54 2.43 1.51 0.43 -4.92 117.35 120.50 1i3z s TYR 53 Ca -0.02 -1.87 -0.21 0.00 -1.01 0.00 0.00 57.07 53.96 1i3z s TYR 53 Cb -0.14 -1.96 -0.05 0.00 -0.11 0.00 0.00 41.96 39.70 1i3z s TYR 53 CO 0.03 -0.82 1.21 1.03 -1.11 0.00 0.00 175.55 175.89 1i3z s ARG 54 N 1.23 3.29 -0.14 -0.62 0.52 -1.26 -0.62 118.95 121.35 1i3z s ARG 54 Ca -0.01 1.84 0.01 0.00 -0.52 0.00 0.00 55.73 57.05 1i3z s ARG 54 Cb -0.16 -2.13 0.02 0.00 0.52 0.00 0.00 34.95 33.19 1i3z s ARG 54 CO -0.08 -0.95 -0.16 0.42 0.02 0.00 0.00 175.30 174.54 1i3z s ILE 55 N -1.56 1.69 -0.15 1.52 1.01 0.40 -0.84 121.20 123.27 1i3z s ILE 55 Ca 0.72 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 60.57 1i3z s ILE 55 Cb -0.30 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1i3z s ILE 55 CO 0.35 0.48 0.10 -0.36 0.00 0.00 0.00 174.94 175.51 1i3z s PHE 56 N 1.25 3.42 -0.00 3.97 0.40 0.67 -0.07 117.98 127.61 1i3z s PHE 56 Ca 0.01 0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 56.44 1i3z s PHE 56 Cb -0.14 -2.00 -0.05 0.00 0.51 0.00 0.00 43.02 41.35 1i3z s PHE 56 CO -0.08 0.47 0.70 0.50 0.70 0.00 0.00 175.22 177.51 1i3z s ARG 57 N -0.39 4.43 0.50 0.44 6.06 -1.26 0.43 118.95 129.16 1i3z s ARG 57 Ca 0.11 0.92 0.06 0.00 -2.50 0.00 0.00 55.73 54.31 1i3z s ARG 57 Cb -0.12 -3.38 0.01 0.00 0.06 0.00 0.00 34.95 31.53 1i3z s ARG 57 CO 0.02 0.25 0.36 -1.21 -2.50 0.00 0.00 175.30 172.22 1i3z s GLU 58 N 0.14 2.30 0.02 5.12 0.41 0.75 -4.95 118.70 122.49 1i3z s GLU 58 Ca 0.36 -1.91 -0.03 0.00 -0.41 0.00 0.00 54.97 52.98 1i3z s GLU 58 Cb -0.19 -2.13 -0.01 0.00 -1.78 0.00 0.00 34.13 30.03 1i3z s GLU 58 CO 0.20 -0.47 0.32 1.63 -0.49 0.00 0.00 175.26 176.45 1i3z n LYS 59 N -1.65 -0.04 -0.85 1.61 5.02 -1.26 -0.81 118.16 120.17 1i3z n LYS 59 Ca -0.01 0.32 -0.17 0.00 -2.02 0.00 0.00 58.31 56.43 1i3z n LYS 59 Cb 0.64 -0.48 0.10 0.00 -0.02 0.00 0.00 35.03 35.27 1i3z n LYS 59 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1i3z n HIS 60 N -3.00 2.02 -1.10 2.13 8.25 -1.26 -4.86 115.22 117.39 1i3z n HIS 60 Ca 0.00 -1.60 -0.03 0.00 -0.26 0.00 0.00 57.72 55.83 1i3z n HIS 60 Cb 0.02 -0.80 -0.01 0.00 1.12 0.00 0.00 29.99 30.32 1i3z n HIS 60 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i3z n GLY 61 N -0.45 0.65 3.86 -1.41 0.00 0.01 -5.03 105.19 102.81 1i3z n GLY 61 Ca 0.39 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1i3z n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i3z s TYR 62 N -2.06 3.57 -0.17 1.61 1.51 -1.24 -4.71 117.35 115.86 1i3z s TYR 62 Ca 0.00 1.34 -0.02 0.00 -1.01 0.00 0.00 57.07 57.38 1i3z s TYR 62 Cb 0.00 -2.74 -0.01 0.00 -0.11 0.00 0.00 41.96 39.09 1i3z s TYR 62 CO 0.00 -0.62 -0.08 0.71 -1.11 0.00 0.00 175.55 174.45 1i3z s TYR 63 N -3.03 2.90 -0.22 2.71 1.51 0.36 -0.18 117.35 121.40 1i3z s TYR 63 Ca 0.56 -0.72 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 1i3z s TYR 63 Cb -0.11 -1.96 0.05 0.00 -0.11 0.00 0.00 41.96 39.83 1i3z s TYR 63 CO 0.48 -0.32 -0.07 0.50 -1.11 0.00 0.00 175.55 175.03 1i3z s ARG 64 N 0.80 1.77 0.22 -0.62 3.52 0.17 -0.41 118.95 124.40 1i3z s ARG 64 Ca -0.03 -0.96 -0.21 0.00 -0.13 0.00 0.00 55.73 54.40 1i3z s ARG 64 Cb -0.15 -2.54 -0.08 0.00 -1.56 0.00 0.00 34.95 30.62 1i3z s ARG 64 CO 0.01 -0.54 0.76 -1.50 -0.81 0.00 0.00 175.30 173.22 1i3z s ILE 65 N 1.38 4.49 -0.27 4.11 2.07 -1.01 -0.24 121.20 131.74 1i3z s ILE 65 Ca -0.05 1.42 -0.29 0.00 -1.41 0.00 0.00 60.65 60.33 1i3z s ILE 65 Cb -0.18 -3.92 -0.02 0.00 0.13 0.00 0.00 42.46 38.46 1i3z s ILE 65 CO -0.07 0.26 1.73 -0.70 -1.91 0.00 0.00 174.94 174.25 1i3z s GLU 66 N -1.84 3.56 0.21 3.50 2.12 -0.02 -4.60 118.70 121.63 1i3z s GLU 66 Ca 0.42 1.58 0.05 0.00 0.36 0.00 0.00 54.97 57.38 1i3z s GLU 66 Cb -0.18 -4.13 -0.03 0.00 0.26 0.00 0.00 34.13 30.05 1i3z s GLU 66 CO 0.22 -1.58 0.29 0.95 -0.54 0.00 0.00 175.26 174.60 1i3z s THR 67 N 6.08 5.08 0.99 -1.70 -4.23 -1.26 -4.87 115.64 115.73 1i3z s THR 67 Ca 0.77 -0.97 -0.14 0.00 -1.18 0.00 0.00 61.69 60.17 1i3z s THR 67 Cb -0.24 -3.70 0.18 0.00 1.34 0.00 0.00 72.50 70.08 1i3z s THR 67 CO 0.32 -0.24 1.13 1.51 -0.54 0.00 0.00 174.62 176.80 1i3z s ASP 68 N -3.65 2.77 0.03 3.99 1.47 -1.26 -4.92 116.67 115.10 1i3z s ASP 68 Ca 0.34 0.91 0.07 0.00 1.18 0.00 0.00 52.55 55.05 1i3z s ASP 68 Cb -0.10 -1.42 0.31 0.00 -0.34 0.00 0.00 42.92 41.38 1i3z s ASP 68 CO 0.28 -3.00 1.22 0.00 0.68 0.00 0.00 175.17 174.34 1i3z n ALA 69 N -4.05 1.24 -1.34 2.11 0.00 -1.26 -2.25 120.51 114.95 1i3z n ALA 69 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.56 1i3z n ALA 69 Cb 0.59 -1.11 0.20 0.00 0.00 0.00 0.00 19.45 19.12 1i3z n ALA 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1i3z n HIS 70 N -1.58 0.44 -4.35 0.00 8.25 -1.26 -4.98 115.22 111.75 1i3z n HIS 70 Ca 0.01 -1.32 -0.21 0.00 -0.26 0.00 0.00 57.72 55.94 1i3z n HIS 70 Cb 0.06 -0.30 -0.16 0.00 1.12 0.00 0.00 29.99 30.71 1i3z n HIS 70 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1i3z s THR 71 N -3.10 0.75 0.39 1.59 2.01 -0.96 -5.13 115.64 111.21 1i3z s THR 71 Ca 0.39 -0.30 -0.25 0.00 0.31 0.00 0.00 61.69 61.84 1i3z s THR 71 Cb 0.35 -0.70 -0.11 0.00 0.01 0.00 0.00 72.50 72.05 1i3z s THR 71 CO -0.00 0.26 1.05 -2.65 -0.69 0.00 0.00 174.62 172.58 1i3z n PRO 72 N 3.64 1.46 -1.69 4.92 -0.02 -1.26 -4.69 135.00 137.36 1i3z n PRO 72 Ca -0.22 0.52 -0.56 0.00 -2.02 0.00 0.00 63.50 61.22 1i3z n PRO 72 Cb 0.53 -2.06 -0.07 0.00 -0.02 0.00 0.00 33.50 31.88 1i3z n PRO 72 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1i3z n ARG 73 N 0.28 1.22 -4.05 -0.52 0.63 -1.26 -4.91 116.66 108.05 1i3z n ARG 73 Ca 0.09 0.45 -0.32 0.00 -0.92 0.00 0.00 57.85 57.15 1i3z n ARG 73 Cb 0.38 -2.13 -0.16 0.00 0.45 0.00 0.00 32.46 30.99 1i3z n ARG 73 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1i3z s THR 74 N 3.12 1.90 0.16 5.15 -4.23 -1.26 -5.10 115.64 115.38 1i3z s THR 74 Ca 0.96 -1.15 0.10 0.00 -1.18 0.00 0.00 61.69 60.42 1i3z s THR 74 Cb -1.03 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 1i3z s THR 74 CO 0.62 0.23 -0.22 0.27 -0.54 0.00 0.00 174.62 174.98 1i3z s ILE 75 N 1.29 2.06 0.01 2.99 -4.36 -1.26 -2.40 121.20 119.53 1i3z s ILE 75 Ca -0.01 -1.89 0.04 0.00 -0.26 0.00 0.00 60.65 58.53 1i3z s ILE 75 Cb -0.16 -1.93 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 1i3z s ILE 75 CO -0.09 -0.16 -0.12 -0.36 0.24 0.00 0.00 174.94 174.45 1i3z s PHE 76 N -1.67 1.09 -0.20 1.37 0.40 0.45 -4.95 117.98 114.46 1i3z s PHE 76 Ca 0.16 -0.28 0.29 0.00 -0.60 0.00 0.00 56.93 56.50 1i3z s PHE 76 Cb -0.08 -0.67 0.96 0.00 0.51 0.00 0.00 43.02 43.74 1i3z s PHE 76 CO 0.07 0.00 1.82 -1.35 0.70 0.00 0.00 175.22 176.47 1i3z h PRO 77 N 5.38 0.00 -3.59 0.24 0.11 -1.89 0.11 132.00 132.35 1i3z h PRO 77 Ca -0.35 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.65 1i3z h PRO 77 Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 1i3z h PRO 77 CO 0.46 0.00 -0.01 0.54 -0.21 0.00 0.00 178.00 178.78 1i3z s ASN 78 N -5.58 0.26 0.07 -2.05 4.22 -1.26 -4.73 114.94 105.87 1i3z s ASN 78 Ca 0.04 -1.15 -0.03 0.00 -2.14 0.00 0.00 52.86 49.58 1i3z s ASN 78 Cb 0.08 0.69 -0.28 0.00 1.28 0.00 0.00 41.25 43.03 1i3z s ASN 78 CO 0.57 -1.35 1.12 0.25 -2.04 0.00 0.00 177.10 175.64 1i3z h LEU 79 N 2.12 0.37 -1.34 3.54 5.85 -1.95 -3.24 115.31 120.66 1i3z h LEU 79 Ca -0.28 -0.41 -0.06 0.00 0.84 0.00 0.00 57.88 57.96 1i3z h LEU 79 Cb 1.25 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1i3z h LEU 79 CO 0.37 1.33 -0.25 0.06 -0.34 0.00 0.00 178.44 179.60 1i3z h GLN 80 N 0.07 0.12 0.00 1.25 -0.00 -1.99 -1.77 115.11 112.79 1i3z h GLN 80 Ca -0.14 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.48 1i3z h GLN 80 Cb 1.96 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 29.43 1i3z h GLN 80 CO 0.19 0.37 0.00 0.93 -0.00 0.00 0.00 178.83 180.32 1i3z h GLU 81 N 0.11 0.00 0.14 0.06 5.08 -1.98 0.24 114.58 118.22 1i3z h GLU 81 Ca 0.02 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.12 1i3z h GLU 81 Cb 0.51 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.79 1i3z h GLU 81 CO 0.04 0.00 -1.08 1.25 -1.00 0.00 0.00 179.01 178.21 1i3z h LEU 82 N 0.00 0.72 -0.74 1.33 6.46 -1.45 -2.97 115.31 118.66 1i3z h LEU 82 Ca 0.00 -0.87 -0.13 0.00 -0.12 0.00 0.00 57.88 56.76 1i3z h LEU 82 Cb 0.68 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1i3z h LEU 82 CO 0.00 1.52 -0.61 0.58 -0.62 0.00 0.00 178.44 179.31 1i3z h VAL 83 N 0.02 1.42 -0.35 1.05 2.07 -1.06 -2.14 116.25 117.26 1i3z h VAL 83 Ca -0.17 -2.05 -0.03 0.00 0.82 0.00 0.00 66.70 65.26 1i3z h VAL 83 Cb 1.81 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.64 1i3z h VAL 83 CO 0.21 0.59 0.07 -1.28 0.02 0.00 0.00 177.57 177.18 1i3z h SER 84 N 0.06 0.48 -0.20 0.57 0.87 -1.04 -2.76 113.55 111.53 1i3z h SER 84 Ca -0.01 -0.07 -0.20 0.00 -1.23 0.00 0.00 61.79 60.29 1i3z h SER 84 Cb 1.09 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.93 1i3z h SER 84 CO 0.08 0.49 -0.64 0.50 -0.53 0.00 0.00 176.83 176.73 1i3z h LYS 85 N 0.51 0.79 -0.14 2.24 3.64 -1.22 -3.23 116.57 119.16 1i3z h LYS 85 Ca 0.12 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1i3z h LYS 85 Cb 0.22 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1i3z h LYS 85 CO -0.00 1.20 0.00 0.66 -2.27 0.00 0.00 179.45 179.04 1i3z n TYR 86 N -4.02 0.18 0.49 1.91 4.02 -1.04 -2.77 117.16 115.93 1i3z n TYR 86 Ca -0.06 -0.09 0.13 0.00 -0.01 0.00 0.00 57.90 57.86 1i3z n TYR 86 Cb 0.68 0.00 0.30 0.00 -0.02 0.00 0.00 39.34 40.29 1i3z n TYR 86 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1i3z h GLY 87 N 5.37 0.00 -5.22 2.72 0.00 -1.51 0.38 103.07 104.81 1i3z h GLY 87 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1i3z h GLY 87 CO 0.00 0.00 -0.20 0.54 0.00 0.00 0.00 176.54 176.88 1i3z s LYS 88 N -3.15 4.06 0.77 4.80 1.02 -1.11 -4.35 119.74 121.78 1i3z s LYS 88 Ca 0.09 0.40 -0.13 0.00 0.02 0.00 0.00 55.97 56.34 1i3z s LYS 88 Cb 0.10 -3.29 0.06 0.00 -0.52 0.00 0.00 37.83 34.18 1i3z s LYS 88 CO 0.64 0.51 1.15 -1.25 -0.92 0.00 0.00 175.35 175.48 1i3z s PRO 89 N -0.50 2.04 -1.44 -1.68 0.04 -1.26 -4.06 135.00 128.14 1i3z s PRO 89 Ca 0.24 1.50 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 1i3z s PRO 89 Cb -0.16 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.57 1i3z s PRO 89 CO 0.12 -1.86 0.99 0.41 0.04 0.00 0.00 177.00 176.69 1i3z n GLY 90 N -0.20 -0.53 1.17 0.56 0.00 -1.26 -4.92 105.19 100.02 1i3z n GLY 90 Ca 0.11 0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.45 1i3z n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i3z n GLN 91 N -4.67 2.58 0.00 1.61 1.13 -1.26 -4.93 117.38 111.84 1i3z n GLN 91 Ca -0.00 -2.40 0.00 0.00 -1.94 0.00 0.00 57.00 52.66 1i3z n GLN 91 Cb 0.56 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.41 1i3z n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1i3z n GLY 92 N 1.44 0.88 3.98 1.08 0.00 -1.26 -5.07 105.19 106.25 1i3z n GLY 92 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 1i3z n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i3z s LEU 93 N 0.00 3.27 0.20 0.99 1.43 -1.26 -5.00 118.68 118.31 1i3z s LEU 93 Ca 0.00 -0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 52.32 1i3z s LEU 93 Cb 0.00 -1.97 0.14 0.00 0.03 0.00 0.00 46.19 44.39 1i3z s LEU 93 CO 0.00 -1.02 1.53 1.62 0.23 0.00 0.00 176.35 178.72 1i3z h VAL 94 N 0.53 1.31 -2.66 -1.59 3.04 -1.99 -3.44 116.25 111.46 1i3z h VAL 94 Ca -0.36 -1.70 -0.10 0.00 -1.01 0.00 0.00 66.70 63.54 1i3z h VAL 94 Cb 1.28 1.67 -0.20 0.00 -2.01 0.00 0.00 31.29 32.03 1i3z h VAL 94 CO 0.47 0.53 -0.12 0.54 -1.01 0.00 0.00 177.57 177.99 1i3z s VAL 95 N -4.11 0.03 1.08 1.51 0.11 -1.26 -5.09 120.40 112.67 1i3z s VAL 95 Ca -0.08 -0.27 -0.18 0.00 -2.93 0.00 0.00 61.98 58.53 1i3z s VAL 95 Cb 0.12 -0.74 0.24 0.00 -1.53 0.00 0.00 36.38 34.47 1i3z s VAL 95 CO 0.84 -0.15 1.23 -1.38 -3.33 0.00 0.00 175.10 172.31 1i3z s HIS 96 N -1.09 1.01 -0.34 1.54 0.00 -1.26 -4.96 115.29 110.20 1i3z s HIS 96 Ca -0.11 0.38 -0.15 0.00 -3.00 0.00 0.00 55.06 52.18 1i3z s HIS 96 Cb -0.03 -3.82 -0.01 0.00 -4.00 0.00 0.00 32.58 24.71 1i3z s HIS 96 CO 0.06 -3.27 0.34 -0.51 -1.00 0.00 0.00 174.74 170.36 1i3z s LEU 97 N -6.40 4.43 -0.01 5.38 1.43 0.13 -4.55 118.68 119.08 1i3z s LEU 97 Ca 0.73 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 53.55 1i3z s LEU 97 Cb -0.06 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 1i3z s LEU 97 CO 0.54 -0.31 -0.09 -1.20 0.23 0.00 0.00 176.35 175.52 1i3z n SER 98 N 5.34 0.88 -4.24 2.29 7.64 -0.95 -4.40 113.62 120.18 1i3z n SER 98 Ca -0.10 0.13 -0.43 0.00 1.01 0.00 0.00 58.87 59.49 1i3z n SER 98 Cb 0.49 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 63.23 1i3z n SER 98 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1i3z s ASN 99 N -5.40 5.96 -0.21 6.43 0.01 0.11 -5.00 114.94 116.85 1i3z s ASN 99 Ca -0.08 -2.10 -0.32 0.00 -0.71 0.00 0.00 52.86 49.65 1i3z s ASN 99 Cb 0.01 -2.08 -0.09 0.00 0.41 0.00 0.00 41.25 39.50 1i3z s ASN 99 CO 0.11 -0.69 2.10 -2.65 -1.51 0.00 0.00 177.10 174.47 1i3z n PRO 100 N 4.70 1.78 -2.82 -0.60 -0.02 -1.26 -1.75 135.00 135.03 1i3z n PRO 100 Ca -0.04 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.57 1i3z n PRO 100 Cb 0.41 -2.81 -0.04 0.00 -0.02 0.00 0.00 33.50 31.05 1i3z n PRO 100 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1i3z s ILE 101 N 6.58 4.42 0.50 4.25 -1.09 -0.32 -4.92 121.20 130.62 1i3z s ILE 101 Ca 1.01 0.56 -0.19 0.00 -2.23 0.00 0.00 60.65 59.80 1i3z s ILE 101 Cb -0.61 -4.48 -0.08 0.00 -1.58 0.00 0.00 42.46 35.70 1i3z s ILE 101 CO 0.45 -0.96 1.02 -0.04 -1.23 0.00 0.00 174.94 174.17 1i3z s MET 102 N 3.87 3.83 0.00 2.79 -1.94 -1.26 -4.69 119.30 121.90 1i3z s MET 102 Ca 0.35 1.23 0.29 0.00 -1.71 0.00 0.00 55.69 55.85 1i3z s MET 102 Cb -0.11 -2.11 1.37 0.00 2.01 0.00 0.00 34.83 35.99 1i3z s MET 102 CO 0.23 -0.39 1.92 2.89 -0.01 0.00 0.00 175.02 179.67