#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix3 h LEU 8 N 0.00 0.59 -0.04 -2.13 3.38 -1.99 1.14 115.31 116.26 3ix3 h LEU 8 Ca 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ix3 h LEU 8 Cb 0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3ix3 h LEU 8 CO 0.00 0.62 0.02 -0.33 0.09 0.00 0.00 178.44 178.84 3ix3 h GLU 9 N 0.61 0.05 -0.80 1.13 5.08 -2.04 0.17 114.58 118.78 3ix3 h GLU 9 Ca 0.13 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3ix3 h GLU 9 Cb 0.30 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3ix3 h GLU 9 CO 0.00 0.08 0.51 -0.07 -1.00 0.00 0.00 179.01 178.53 3ix3 h LEU 10 N 0.01 0.83 -0.51 1.33 3.38 -1.64 -3.01 115.31 115.70 3ix3 h LEU 10 Ca 0.01 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3ix3 h LEU 10 Cb 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3ix3 h LEU 10 CO -0.00 0.57 -0.54 -0.33 0.09 0.00 0.00 178.44 178.23 3ix3 h GLU 11 N 0.98 0.00 0.00 1.13 4.39 0.15 -3.15 114.58 118.07 3ix3 h GLU 11 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 3ix3 h GLU 11 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3ix3 h GLU 11 CO -0.12 0.54 0.00 0.54 -1.16 0.00 0.00 179.01 178.81 3ix3 n ARG 12 N -3.46 0.21 -1.40 2.33 1.74 0.03 -4.92 116.66 111.20 3ix3 n ARG 12 Ca 0.00 0.23 -0.31 0.00 -0.77 0.00 0.00 57.85 57.00 3ix3 n ARG 12 Cb 0.65 -1.77 0.08 0.00 -1.02 0.00 0.00 32.46 30.40 3ix3 n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3ix3 s SER 13 N -4.23 4.73 -0.37 0.55 1.04 -1.18 -5.02 113.70 109.22 3ix3 s SER 13 Ca 0.10 1.84 -0.04 0.00 0.48 0.00 0.00 55.95 58.32 3ix3 s SER 13 Cb 0.13 -2.52 0.07 0.00 0.10 0.00 0.00 66.02 63.79 3ix3 s SER 13 CO 0.54 -1.89 0.13 -0.94 0.98 0.00 0.00 173.24 172.07 3ix3 s SER 14 N -3.26 5.22 0.00 7.02 1.04 -1.26 -4.97 113.70 117.50 3ix3 s SER 14 Ca 0.62 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 55.49 3ix3 s SER 14 Cb -0.17 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.12 3ix3 s SER 14 CO 0.53 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.94 3ix3 n GLY 15 N 4.69 -1.48 0.27 7.32 0.00 -1.26 -4.20 105.19 110.52 3ix3 n GLY 15 Ca -0.09 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 3ix3 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ix3 h LYS 16 N -0.01 0.92 -0.25 1.61 3.64 -1.96 -2.07 116.57 118.45 3ix3 h LYS 16 Ca -0.00 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 3ix3 h LYS 16 Cb 0.01 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3ix3 h LYS 16 CO 0.00 1.01 0.11 1.25 -2.27 0.00 0.00 179.45 179.55 3ix3 h LEU 17 N 0.77 0.33 -0.34 5.20 7.12 -2.00 0.26 115.31 126.66 3ix3 h LEU 17 Ca 0.12 -0.15 -0.04 0.00 0.13 0.00 0.00 57.88 57.95 3ix3 h LEU 17 Cb 0.66 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 3ix3 h LEU 17 CO 0.05 0.39 0.06 -0.08 -0.13 0.00 0.00 178.44 178.73 3ix3 h GLU 18 N 0.26 0.56 -0.64 1.25 4.81 -1.72 -1.82 114.58 117.27 3ix3 h GLU 18 Ca 0.08 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3ix3 h GLU 18 Cb 0.15 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 3ix3 h GLU 18 CO -0.01 0.63 0.41 2.35 -0.73 0.00 0.00 179.01 181.66 3ix3 h TRP 19 N 0.40 0.77 -0.65 0.92 7.01 -1.22 -1.36 115.95 121.80 3ix3 h TRP 19 Ca 0.10 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.13 3ix3 h TRP 19 Cb 0.34 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.11 3ix3 h TRP 19 CO 0.02 0.45 0.43 1.03 -2.79 0.00 0.00 178.44 177.58 3ix3 h SER 20 N 0.81 0.76 -0.66 2.65 0.87 -0.81 -0.97 113.55 116.21 3ix3 h SER 20 Ca 0.25 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.70 3ix3 h SER 20 Cb -0.02 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 3ix3 h SER 20 CO -0.09 0.56 0.08 0.00 -0.53 0.00 0.00 176.83 176.85 3ix3 h ALA 21 N 1.23 0.88 -0.09 6.23 0.00 -0.76 -0.33 119.26 126.43 3ix3 h ALA 21 Ca 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ix3 h ALA 21 Cb -0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3ix3 h ALA 21 CO -0.05 0.67 0.03 0.82 0.00 0.00 0.00 179.25 180.72 3ix3 h ILE 22 N 1.02 1.15 -0.49 0.00 2.04 -0.94 -1.26 117.51 119.03 3ix3 h ILE 22 Ca 0.20 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3ix3 h ILE 22 Cb 0.48 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3ix3 h ILE 22 CO 0.02 0.13 0.32 0.25 0.00 0.00 0.00 178.15 178.87 3ix3 h LEU 23 N -0.02 0.57 -0.98 1.44 5.85 -1.03 -0.72 115.31 120.42 3ix3 h LEU 23 Ca 0.03 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ix3 h LEU 23 Cb 0.18 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3ix3 h LEU 23 CO -0.00 0.43 0.65 1.56 -0.34 0.00 0.00 178.44 180.73 3ix3 h GLN 24 N 0.66 1.27 -0.54 1.25 4.20 -0.95 -1.14 115.11 119.86 3ix3 h GLN 24 Ca 0.18 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 3ix3 h GLN 24 Cb -0.06 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 27.42 3ix3 h GLN 24 CO -0.04 0.84 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.73 3ix3 h LYS 25 N 1.31 0.97 -0.69 1.46 1.63 -0.76 0.27 116.57 120.76 3ix3 h LYS 25 Ca 0.36 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3ix3 h LYS 25 Cb -0.13 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.39 3ix3 h LYS 25 CO -0.09 0.98 0.44 0.52 -3.45 0.00 0.00 179.45 177.86 3ix3 h MET 26 N 0.85 0.91 -0.44 1.90 2.86 -0.72 -0.60 114.93 119.69 3ix3 h MET 26 Ca 0.15 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.66 3ix3 h MET 26 Cb 0.55 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3ix3 h MET 26 CO 0.03 0.61 0.01 0.00 1.06 0.00 0.00 176.91 178.63 3ix3 h ALA 27 N 1.24 0.59 -1.00 6.32 0.00 -1.04 -2.78 119.26 122.59 3ix3 h ALA 27 Ca 0.25 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ix3 h ALA 27 Cb -0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 3ix3 h ALA 27 CO -0.05 0.36 0.66 1.03 0.00 0.00 0.00 179.25 181.25 3ix3 h SER 28 N 0.60 1.13 0.31 0.00 0.87 -0.63 -1.14 113.55 114.69 3ix3 h SER 28 Ca 0.13 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 3ix3 h SER 28 Cb 0.47 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3ix3 h SER 28 CO 0.02 0.80 -0.21 0.44 -0.53 0.00 0.00 176.83 177.35 3ix3 h ASP 29 N 1.32 0.00 -0.03 6.23 3.32 -0.98 0.26 116.42 126.54 3ix3 h ASP 29 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3ix3 h ASP 29 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3ix3 h ASP 29 CO -0.10 0.21 0.00 0.18 -1.72 0.00 0.00 179.24 177.82 3ix3 n LEU 30 N -4.02 0.77 0.00 1.55 4.77 -0.53 -4.91 117.00 114.62 3ix3 n LEU 30 Ca -0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3ix3 n LEU 30 Cb 0.29 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3ix3 n LEU 30 CO 0.35 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3ix3 n GLY 31 N 1.05 0.94 3.43 -0.72 0.00 0.08 -4.90 105.19 105.07 3ix3 n GLY 31 Ca 0.19 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3ix3 n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ix3 s PHE 32 N -2.00 3.19 -0.55 1.61 0.40 -0.59 -4.55 117.98 115.49 3ix3 s PHE 32 Ca 0.00 -0.62 0.24 0.00 -0.60 0.00 0.00 56.93 55.95 3ix3 s PHE 32 Cb 0.00 -2.37 0.34 0.00 0.51 0.00 0.00 43.02 41.50 3ix3 s PHE 32 CO 0.00 -0.48 1.36 0.66 0.70 0.00 0.00 175.22 177.46 3ix3 h SER 33 N 8.37 0.00 -3.42 1.36 4.64 -1.78 -3.08 113.55 119.63 3ix3 h SER 33 Ca -0.31 -0.12 -0.55 0.00 -0.47 0.00 0.00 61.79 60.33 3ix3 h SER 33 Cb 1.14 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.90 3ix3 h SER 33 CO 0.62 0.06 -0.83 -0.54 -0.87 0.00 0.00 176.83 175.27 3ix3 s LYS 34 N -3.20 2.02 0.02 4.77 1.02 -1.20 -4.96 119.74 118.21 3ix3 s LYS 34 Ca 0.06 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.52 3ix3 s LYS 34 Cb 0.12 -1.62 -0.02 0.00 -0.52 0.00 0.00 37.83 35.79 3ix3 s LYS 34 CO 0.71 0.07 -0.03 0.96 -0.92 0.00 0.00 175.35 176.14 3ix3 s ILE 35 N 0.56 0.16 -0.04 2.17 -4.36 -1.26 -0.69 121.20 117.74 3ix3 s ILE 35 Ca -0.15 -0.99 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 3ix3 s ILE 35 Cb -0.16 -0.38 0.03 0.00 1.25 0.00 0.00 42.46 43.19 3ix3 s ILE 35 CO 0.05 -0.53 -0.01 -0.22 0.24 0.00 0.00 174.94 174.47 3ix3 s LEU 36 N -1.58 1.12 -0.22 0.37 0.20 -0.49 -1.67 118.68 116.42 3ix3 s LEU 36 Ca -0.14 -0.06 -0.04 0.00 0.69 0.00 0.00 54.13 54.58 3ix3 s LEU 36 Cb -0.09 -0.32 -0.01 0.00 -0.43 0.00 0.00 46.19 45.35 3ix3 s LEU 36 CO -0.02 -0.10 -0.05 0.12 -0.29 0.00 0.00 176.35 176.01 3ix3 s PHE 37 N 1.13 2.95 -0.00 5.38 5.36 0.36 -0.41 117.98 132.75 3ix3 s PHE 37 Ca -0.08 -0.99 0.06 0.00 -0.96 0.00 0.00 56.93 54.96 3ix3 s PHE 37 Cb -0.14 -2.09 -0.02 0.00 -0.34 0.00 0.00 43.02 40.43 3ix3 s PHE 37 CO -0.02 -0.57 -0.18 0.20 -1.46 0.00 0.00 175.22 173.20 3ix3 s GLY 38 N 1.47 0.90 -0.14 13.12 0.00 -0.06 -0.44 107.32 122.16 3ix3 s GLY 38 Ca 0.06 -0.81 -0.12 0.00 0.00 0.00 0.00 44.72 43.84 3ix3 s GLY 38 CO -0.04 -0.69 0.37 -2.27 0.00 0.00 0.00 173.10 170.47 3ix3 s LEU 39 N -0.54 0.53 0.08 0.66 2.96 0.03 -1.06 118.68 121.34 3ix3 s LEU 39 Ca 0.07 0.75 0.08 0.00 -0.22 0.00 0.00 54.13 54.81 3ix3 s LEU 39 Cb -0.07 1.27 -0.03 0.00 0.50 0.00 0.00 46.19 47.85 3ix3 s LEU 39 CO -0.00 -0.13 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.93 3ix3 s LEU 40 N 0.31 2.25 1.00 -0.68 1.43 0.73 -0.96 118.68 122.75 3ix3 s LEU 40 Ca -0.01 -0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 3ix3 s LEU 40 Cb -0.03 -0.90 0.19 0.00 0.03 0.00 0.00 46.19 45.47 3ix3 s LEU 40 CO -0.01 0.09 1.14 -2.16 0.23 0.00 0.00 176.35 175.64 3ix3 s PRO 41 N -1.65 0.45 0.20 1.29 0.04 -1.26 -1.33 135.00 132.74 3ix3 s PRO 41 Ca 0.07 0.20 -0.32 0.00 0.04 0.00 0.00 61.00 60.99 3ix3 s PRO 41 Cb -0.10 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.53 3ix3 s PRO 41 CO 0.03 -2.65 1.32 1.17 0.04 0.00 0.00 177.00 176.91 3ix3 n LYS 42 N -4.06 1.64 -3.13 4.56 4.81 -1.24 -2.66 118.16 118.09 3ix3 n LYS 42 Ca 0.08 0.59 -0.22 0.00 -0.87 0.00 0.00 58.31 57.88 3ix3 n LYS 42 Cb 0.59 -2.19 0.02 0.00 0.02 0.00 0.00 35.03 33.47 3ix3 n LYS 42 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ix3 n ASP 43 N 2.22 -5.06 -4.25 3.14 8.00 -1.26 -4.99 116.55 114.35 3ix3 n ASP 43 Ca 0.14 -0.30 -0.32 0.00 0.71 0.00 0.00 54.79 55.01 3ix3 n ASP 43 Cb 0.28 -4.13 -0.16 0.00 -0.02 0.00 0.00 41.12 37.09 3ix3 n ASP 43 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3ix3 s SER 44 N -2.67 3.36 -0.28 -2.24 0.15 -1.09 -5.00 113.70 105.93 3ix3 s SER 44 Ca 0.33 -0.51 0.10 0.00 0.70 0.00 0.00 55.95 56.57 3ix3 s SER 44 Cb -0.16 -1.48 0.51 0.00 -1.71 0.00 0.00 66.02 63.18 3ix3 s SER 44 CO 0.40 0.14 1.46 1.67 1.20 0.00 0.00 173.24 178.11 3ix3 n GLN 45 N 3.68 1.93 -2.34 5.44 7.27 -1.26 -4.75 117.38 127.34 3ix3 n GLN 45 Ca -0.19 -3.15 -0.43 0.00 0.07 0.00 0.00 57.00 53.30 3ix3 n GLN 45 Cb 0.53 -1.82 0.00 0.00 2.41 0.00 0.00 30.24 31.36 3ix3 n GLN 45 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3ix3 n ASP 46 N -1.07 4.70 0.08 1.69 2.03 -1.26 -4.78 116.55 117.93 3ix3 n ASP 46 Ca 0.32 -2.94 0.04 0.00 0.52 0.00 0.00 54.79 52.73 3ix3 n ASP 46 Cb 1.02 -1.64 0.46 0.00 -0.72 0.00 0.00 41.12 40.25 3ix3 n ASP 46 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3ix3 h TYR 47 N 6.66 0.36 0.00 -0.67 0.99 -2.00 -0.35 116.97 121.96 3ix3 h TYR 47 Ca 0.45 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.18 3ix3 h TYR 47 Cb 0.75 -0.12 0.00 0.00 1.00 0.00 0.00 36.73 38.37 3ix3 h TYR 47 CO 1.34 0.27 0.00 0.39 -0.00 0.00 0.00 178.16 180.17 3ix3 n GLU 48 N -4.45 0.09 -0.11 4.88 4.71 -1.26 -2.76 120.64 121.75 3ix3 n GLU 48 Ca 0.01 0.16 0.10 0.00 -0.01 0.00 0.00 57.16 57.42 3ix3 n GLU 48 Cb 0.11 -1.50 0.14 0.00 -1.01 0.00 0.00 31.44 29.18 3ix3 n GLU 48 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3ix3 n ASN 49 N -1.43 2.25 -4.70 1.62 3.02 -0.16 -5.06 115.26 110.81 3ix3 n ASN 49 Ca 0.06 -3.10 -0.32 0.00 -0.03 0.00 0.00 54.58 51.19 3ix3 n ASN 49 Cb 0.19 -0.43 0.14 0.00 -0.61 0.00 0.00 39.78 39.07 3ix3 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ix3 s ALA 50 N -2.82 1.75 -0.11 5.41 0.00 -1.11 -4.97 121.76 119.92 3ix3 s ALA 50 Ca 0.31 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 3ix3 s ALA 50 Cb 0.28 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3ix3 s ALA 50 CO 0.02 -2.39 1.33 0.12 0.00 0.00 0.00 175.76 174.84 3ix3 s PHE 51 N -2.52 2.78 -0.09 0.00 5.36 -0.14 -4.89 117.98 118.49 3ix3 s PHE 51 Ca 0.68 0.90 0.03 0.00 -0.96 0.00 0.00 56.93 57.58 3ix3 s PHE 51 Cb -0.24 -3.57 0.01 0.00 -0.34 0.00 0.00 43.02 38.88 3ix3 s PHE 51 CO 0.54 -2.04 -0.17 0.42 -1.46 0.00 0.00 175.22 172.51 3ix3 s ILE 52 N 3.19 1.52 0.06 3.12 -1.09 -1.26 -0.79 121.20 125.95 3ix3 s ILE 52 Ca 0.59 -0.69 0.07 0.00 -2.23 0.00 0.00 60.65 58.39 3ix3 s ILE 52 Cb -0.25 -1.36 -0.03 0.00 -1.58 0.00 0.00 42.46 39.24 3ix3 s ILE 52 CO 0.20 0.44 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.45 3ix3 s VAL 53 N 0.67 1.65 -4.43 2.92 1.01 0.41 -4.99 120.40 117.64 3ix3 s VAL 53 Ca -0.13 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.55 3ix3 s VAL 53 Cb -0.16 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3ix3 s VAL 53 CO 0.04 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.86 3ix3 n GLY 54 N 1.62 0.90 1.07 4.51 0.00 -1.26 -0.48 105.19 111.54 3ix3 n GLY 54 Ca -0.18 -1.89 0.04 0.00 0.00 0.00 0.00 46.02 44.00 3ix3 n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ix3 n ASN 55 N 0.00 1.12 -4.58 1.61 2.04 -0.67 -5.01 115.26 109.77 3ix3 n ASN 55 Ca 0.00 -2.52 -0.39 0.00 -0.44 0.00 0.00 54.58 51.23 3ix3 n ASN 55 Cb 0.00 -0.35 0.04 0.00 -2.53 0.00 0.00 39.78 36.94 3ix3 n ASN 55 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 3ix3 n TYR 56 N -0.07 0.56 -1.68 -2.53 0.53 -1.23 -4.75 117.16 107.98 3ix3 n TYR 56 Ca 0.09 0.47 -0.45 0.00 -1.02 0.00 0.00 57.90 56.99 3ix3 n TYR 56 Cb 0.95 -2.12 -0.03 0.00 -1.03 0.00 0.00 39.34 37.11 3ix3 n TYR 56 CO 0.00 0.00 0.00 -2.30 -1.02 0.00 0.00 176.86 173.54 3ix3 n PRO 57 N -0.46 2.23 -0.26 -0.72 -0.02 -1.26 -4.82 135.00 129.70 3ix3 n PRO 57 Ca 0.12 0.80 0.08 0.00 -2.02 0.00 0.00 63.50 62.48 3ix3 n PRO 57 Cb 0.45 -2.55 0.33 0.00 -0.02 0.00 0.00 33.50 31.71 3ix3 n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ix3 h ALA 58 N 5.44 1.71 -0.11 3.55 0.00 -2.00 -1.07 119.26 126.78 3ix3 h ALA 58 Ca -0.45 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 3ix3 h ALA 58 Cb 1.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3ix3 h ALA 58 CO 0.85 0.11 -0.32 0.00 0.00 0.00 0.00 179.25 179.89 3ix3 h ALA 59 N 1.58 1.26 -0.07 0.00 0.00 -2.00 -1.13 119.26 118.90 3ix3 h ALA 59 Ca 0.40 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ix3 h ALA 59 Cb 0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ix3 h ALA 59 CO -0.17 0.50 -0.05 2.35 0.00 0.00 0.00 179.25 181.89 3ix3 h TRP 60 N 0.19 0.19 -0.56 0.00 2.91 -1.58 -1.77 115.95 115.32 3ix3 h TRP 60 Ca 0.03 -0.05 0.09 0.00 1.13 0.00 0.00 58.89 60.09 3ix3 h TRP 60 Cb 0.66 -0.04 -0.07 0.00 -0.51 0.00 0.00 29.16 29.20 3ix3 h TRP 60 CO 0.01 0.56 0.17 0.00 -1.03 0.00 0.00 178.44 178.14 3ix3 h ARG 61 N -0.23 0.31 -0.29 2.65 2.47 -1.12 0.16 114.38 118.33 3ix3 h ARG 61 Ca 0.01 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3ix3 h ARG 61 Cb 0.51 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 3ix3 h ARG 61 CO 0.01 0.21 0.10 0.93 0.56 0.00 0.00 179.97 181.78 3ix3 h GLU 62 N 0.32 0.44 -0.29 0.04 5.08 -1.18 -1.77 114.58 117.22 3ix3 h GLU 62 Ca 0.29 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3ix3 h GLU 62 Cb 0.37 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3ix3 h GLU 62 CO -0.32 0.48 0.19 1.25 -1.00 0.00 0.00 179.01 179.61 3ix3 h HIS 63 N 0.30 0.36 -0.27 4.33 2.76 -1.05 -1.14 115.15 120.45 3ix3 h HIS 63 Ca 0.09 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 3ix3 h HIS 63 Cb 0.22 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.02 3ix3 h HIS 63 CO 0.00 0.24 0.00 -0.92 -1.30 0.00 0.00 177.93 175.95 3ix3 h TYR 64 N 0.38 -0.01 -0.45 5.26 3.20 -0.53 0.59 116.97 125.42 3ix3 h TYR 64 Ca 0.10 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 3ix3 h TYR 64 Cb -0.03 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3ix3 h TYR 64 CO -0.05 -0.04 -0.07 -0.44 -1.64 0.00 0.00 178.16 175.91 3ix3 h ASP 65 N 0.08 0.84 -0.61 -2.11 3.32 -1.23 -0.58 116.42 116.12 3ix3 h ASP 65 Ca 0.13 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3ix3 h ASP 65 Cb 0.16 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3ix3 h ASP 65 CO -0.21 0.99 0.35 0.03 -1.72 0.00 0.00 179.24 178.68 3ix3 h ARG 66 N 0.67 0.85 -0.00 3.56 2.47 -0.80 -2.40 114.38 118.73 3ix3 h ARG 66 Ca 0.12 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3ix3 h ARG 66 Cb 0.60 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3ix3 h ARG 66 CO 0.04 0.63 -0.05 0.00 0.56 0.00 0.00 179.97 181.14 3ix3 n ALA 67 N -2.31 2.65 -2.51 0.04 0.00 0.16 -4.92 120.51 113.63 3ix3 n ALA 67 Ca 0.04 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 3ix3 n ALA 67 Cb 0.07 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.12 3ix3 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ix3 n GLY 68 N 1.24 -0.13 0.21 0.00 0.00 -0.85 -4.90 105.19 100.76 3ix3 n GLY 68 Ca 0.16 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 46.07 3ix3 n GLY 68 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ix3 h TYR 69 N -0.46 0.00 -0.08 1.61 0.05 -1.39 -2.28 116.97 114.42 3ix3 h TYR 69 Ca -0.33 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.47 3ix3 h TYR 69 Cb 1.23 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.97 3ix3 h TYR 69 CO 0.34 0.00 0.10 0.00 -1.05 0.00 0.00 178.16 177.55 3ix3 h ALA 70 N 2.08 1.62 -0.01 3.88 0.00 -1.91 0.23 119.26 125.16 3ix3 h ALA 70 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ix3 h ALA 70 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ix3 h ALA 70 CO 0.00 -0.14 -0.25 0.54 0.00 0.00 0.00 179.25 179.40 3ix3 n ARG 71 N -3.77 0.65 -0.06 0.00 1.74 -0.86 -4.19 116.66 110.18 3ix3 n ARG 71 Ca -0.01 -0.34 -0.09 0.00 -0.77 0.00 0.00 57.85 56.64 3ix3 n ARG 71 Cb 0.19 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.09 3ix3 n ARG 71 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ix3 n VAL 72 N -0.88 0.64 -1.63 1.55 0.31 -0.31 -5.01 118.33 112.99 3ix3 n VAL 72 Ca 0.11 -0.22 -0.50 0.00 -0.01 0.00 0.00 64.34 63.73 3ix3 n VAL 72 Cb 0.33 -1.13 -0.05 0.00 -0.91 0.00 0.00 33.84 32.07 3ix3 n VAL 72 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3ix3 n ASP 73 N -3.05 3.01 0.28 4.52 -0.08 0.67 -4.78 116.55 117.13 3ix3 n ASP 73 Ca -0.21 0.82 0.18 0.00 -1.51 0.00 0.00 54.79 54.07 3ix3 n ASP 73 Cb 0.69 -1.33 0.86 0.00 2.34 0.00 0.00 41.12 43.69 3ix3 n ASP 73 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ix3 h PRO 74 N 10.01 0.00 -0.07 -0.67 0.13 -1.90 -2.35 132.00 137.16 3ix3 h PRO 74 Ca -0.43 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 3ix3 h PRO 74 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 3ix3 h PRO 74 CO 0.97 0.00 -0.46 1.79 -0.23 0.00 0.00 178.00 180.06 3ix3 h THR 75 N 0.00 1.33 -0.01 1.56 1.35 -1.93 -1.99 112.91 113.22 3ix3 h THR 75 Ca 0.00 -1.64 -0.01 0.00 -0.55 0.00 0.00 66.41 64.21 3ix3 h THR 75 Cb 0.27 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3ix3 h THR 75 CO 0.00 0.48 -0.03 0.58 -0.25 0.00 0.00 175.52 176.30 3ix3 h VAL 76 N 0.13 1.47 -0.79 6.82 2.07 -1.71 -2.16 116.25 122.08 3ix3 h VAL 76 Ca 0.01 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 3ix3 h VAL 76 Cb 0.87 2.42 -0.04 0.00 -1.52 0.00 0.00 31.29 33.02 3ix3 h VAL 76 CO 0.07 0.38 0.49 0.77 0.02 0.00 0.00 177.57 179.30 3ix3 h SER 77 N -0.55 0.94 -0.52 0.57 4.64 -1.57 -1.77 113.55 115.29 3ix3 h SER 77 Ca -0.00 -0.05 0.06 0.00 -0.47 0.00 0.00 61.79 61.34 3ix3 h SER 77 Cb 0.63 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 62.43 3ix3 h SER 77 CO 0.01 0.71 0.22 -0.74 -0.87 0.00 0.00 176.83 176.15 3ix3 h HIS 78 N 1.09 0.39 -0.33 4.77 6.17 -1.31 -2.10 115.15 123.82 3ix3 h HIS 78 Ca 0.29 0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.43 3ix3 h HIS 78 Cb -0.07 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 29.75 3ix3 h HIS 78 CO 0.00 0.15 0.23 0.00 0.71 0.00 0.00 177.93 179.02 3ix3 h THR 80 N 0.31 0.00 0.00 0.00 1.35 -1.05 -3.31 112.91 110.21 3ix3 h THR 80 Ca 0.14 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3ix3 h THR 80 Cb 0.18 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3ix3 h THR 80 CO -0.03 0.00 -1.28 0.00 -0.25 0.00 0.00 175.52 173.96 3ix3 n GLN 81 N -2.39 0.68 -3.83 4.72 6.02 -0.38 -5.07 117.38 117.13 3ix3 n GLN 81 Ca 0.02 -0.07 -0.09 0.00 -0.01 0.00 0.00 57.00 56.85 3ix3 n GLN 81 Cb 0.26 -1.17 -0.07 0.00 1.02 0.00 0.00 30.24 30.28 3ix3 n GLN 81 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ix3 s SER 82 N -2.85 0.06 0.00 1.08 0.15 -0.63 -5.02 113.70 106.49 3ix3 s SER 82 Ca -0.02 -0.53 0.21 0.00 0.70 0.00 0.00 55.95 56.31 3ix3 s SER 82 Cb 0.06 0.34 0.24 0.00 -1.71 0.00 0.00 66.02 64.94 3ix3 s SER 82 CO 0.35 -0.70 1.22 1.33 1.20 0.00 0.00 173.24 176.65 3ix3 n VAL 83 N 0.13 0.17 -3.82 4.45 0.24 -1.26 -4.63 118.33 113.60 3ix3 n VAL 83 Ca -0.16 -0.58 -0.27 0.00 -2.04 0.00 0.00 64.34 61.28 3ix3 n VAL 83 Cb 0.62 1.28 -0.03 0.00 -1.47 0.00 0.00 33.84 34.24 3ix3 n VAL 83 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ix3 s LEU 84 N -1.64 4.29 0.66 1.34 1.43 -1.26 -4.61 118.68 118.90 3ix3 s LEU 84 Ca 0.28 0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 53.51 3ix3 s LEU 84 Cb 0.19 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.36 3ix3 s LEU 84 CO 0.27 0.02 1.25 -2.84 0.23 0.00 0.00 176.35 175.29 3ix3 s PRO 85 N -3.18 2.49 -0.19 1.29 0.02 -1.26 -4.42 135.00 129.75 3ix3 s PRO 85 Ca 0.37 1.93 0.01 0.00 0.02 0.00 0.00 61.00 63.33 3ix3 s PRO 85 Cb -0.11 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.58 3ix3 s PRO 85 CO 0.29 -1.61 -0.18 -1.50 -0.33 0.00 0.00 177.00 173.66 3ix3 s ILE 86 N -1.61 2.09 0.20 2.83 2.07 -0.32 -4.99 121.20 121.49 3ix3 s ILE 86 Ca 0.79 -1.04 -0.24 0.00 -1.41 0.00 0.00 60.65 58.75 3ix3 s ILE 86 Cb -0.34 -1.93 -0.08 0.00 0.13 0.00 0.00 42.46 40.24 3ix3 s ILE 86 CO 0.40 0.45 0.79 -0.36 -1.91 0.00 0.00 174.94 174.32 3ix3 s PHE 87 N 1.26 3.83 -0.20 3.50 0.40 -1.26 -0.91 117.98 124.60 3ix3 s PHE 87 Ca 0.03 1.61 -0.27 0.00 -0.60 0.00 0.00 56.93 57.70 3ix3 s PHE 87 Cb -0.14 -2.76 -0.00 0.00 0.51 0.00 0.00 43.02 40.62 3ix3 s PHE 87 CO -0.12 0.44 0.93 -1.58 0.70 0.00 0.00 175.22 175.59 3ix3 s TRP 88 N -1.29 3.37 -0.01 0.36 0.51 -0.26 -4.89 118.94 116.73 3ix3 s TRP 88 Ca 0.39 1.34 -0.28 0.00 -2.12 0.00 0.00 56.10 55.43 3ix3 s TRP 88 Cb -0.21 -3.14 0.10 0.00 -0.81 0.00 0.00 33.47 29.41 3ix3 s TRP 88 CO 0.25 -0.37 0.84 -1.83 -0.51 0.00 0.00 176.95 175.33 3ix3 s GLU 89 N 2.69 0.88 0.35 4.98 -1.05 -1.26 -4.53 118.70 120.76 3ix3 s GLU 89 Ca 0.41 -0.18 0.16 0.00 -0.15 0.00 0.00 54.97 55.21 3ix3 s GLU 89 Cb -0.16 0.41 1.08 0.00 -0.44 0.00 0.00 34.13 35.02 3ix3 s GLU 89 CO 0.09 -0.35 1.69 -1.35 0.95 0.00 0.00 175.26 176.29 3ix3 h PRO 90 N 2.22 0.35 0.00 -4.83 0.11 -1.94 -1.13 132.00 126.78 3ix3 h PRO 90 Ca -0.24 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3ix3 h PRO 90 Cb 1.23 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ix3 h PRO 90 CO 0.33 0.23 -0.02 0.66 -0.21 0.00 0.00 178.00 178.99 3ix3 h SER 91 N 0.37 0.00 1.28 -2.05 4.64 -1.96 -2.12 113.55 113.70 3ix3 h SER 91 Ca 0.71 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 3ix3 h SER 91 Cb 1.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 3ix3 h SER 91 CO -0.52 0.02 0.00 2.30 -0.87 0.00 0.00 176.83 177.77 3ix3 n ILE 92 N -3.31 0.58 -3.19 0.95 -5.35 -0.43 -4.46 119.36 104.15 3ix3 n ILE 92 Ca -0.02 -0.16 -0.46 0.00 -0.27 0.00 0.00 62.75 61.85 3ix3 n ILE 92 Cb 0.15 -0.68 -0.04 0.00 -1.74 0.00 0.00 39.64 37.33 3ix3 n ILE 92 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3ix3 s TYR 93 N -3.12 3.29 -0.22 4.28 1.51 -0.80 -4.76 117.35 117.53 3ix3 s TYR 93 Ca 0.10 -1.39 -0.02 0.00 -1.01 0.00 0.00 57.07 54.75 3ix3 s TYR 93 Cb 0.12 -3.95 -0.13 0.00 -0.11 0.00 0.00 41.96 37.89 3ix3 s TYR 93 CO 0.55 -1.17 -0.22 1.04 -1.11 0.00 0.00 175.55 174.63 3ix3 n GLN 94 N 5.44 0.54 -1.75 -0.62 1.13 -1.26 -4.66 117.38 116.20 3ix3 n GLN 94 Ca 0.01 0.15 -0.30 0.00 -1.94 0.00 0.00 57.00 54.92 3ix3 n GLN 94 Cb 0.44 -1.42 0.06 0.00 0.11 0.00 0.00 30.24 29.43 3ix3 n GLN 94 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3ix3 s THR 95 N -2.44 3.43 0.18 5.09 -4.23 -1.26 -4.88 115.64 111.52 3ix3 s THR 95 Ca -0.31 0.46 -0.13 0.00 -1.18 0.00 0.00 61.69 60.53 3ix3 s THR 95 Cb 0.09 -3.36 0.07 0.00 1.34 0.00 0.00 72.50 70.64 3ix3 s THR 95 CO 0.49 -0.60 1.78 0.03 -0.54 0.00 0.00 174.62 175.77 3ix3 h ARG 96 N -0.80 0.45 -0.71 3.99 3.08 -2.00 -0.37 114.38 118.04 3ix3 h ARG 96 Ca -0.46 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 3ix3 h ARG 96 Cb 1.25 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 3ix3 h ARG 96 CO 0.62 0.30 0.40 0.87 -1.07 0.00 0.00 179.97 181.09 3ix3 h LYS 97 N 0.47 0.97 -0.21 0.04 1.57 -1.99 -2.17 116.57 115.25 3ix3 h LYS 97 Ca 0.21 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 3ix3 h LYS 97 Cb 0.13 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3ix3 h LYS 97 CO -0.16 0.70 -0.29 1.96 -0.57 0.00 0.00 179.45 181.09 3ix3 h GLN 98 N 0.98 0.41 -0.57 3.15 4.20 -1.66 -1.33 115.11 120.29 3ix3 h GLN 98 Ca 0.25 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 3ix3 h GLN 98 Cb 0.00 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3ix3 h GLN 98 CO -0.04 0.66 0.05 0.45 -0.67 0.00 0.00 178.83 179.27 3ix3 h HIS 99 N 0.36 1.06 -0.67 2.96 3.86 -0.54 0.06 115.15 122.24 3ix3 h HIS 99 Ca 0.05 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 3ix3 h HIS 99 Cb 0.70 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 3ix3 h HIS 99 CO 0.02 0.94 0.32 1.49 0.86 0.00 0.00 177.93 181.56 3ix3 h GLU 100 N 0.87 0.96 -0.23 2.45 4.81 -1.17 -1.71 114.58 120.56 3ix3 h GLU 100 Ca 0.17 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3ix3 h GLU 100 Cb 0.48 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3ix3 h GLU 100 CO 0.02 0.76 0.13 0.35 -0.73 0.00 0.00 179.01 179.53 3ix3 h PHE 101 N 0.92 0.24 -0.79 0.92 3.57 -1.04 -2.55 116.94 118.22 3ix3 h PHE 101 Ca 0.23 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.81 3ix3 h PHE 101 Cb 0.11 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 3ix3 h PHE 101 CO 0.00 0.14 0.46 0.35 -2.23 0.00 0.00 178.31 177.03 3ix3 h PHE 102 N 0.27 0.84 -0.80 0.41 3.57 -0.70 0.11 116.94 120.63 3ix3 h PHE 102 Ca 0.09 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3ix3 h PHE 102 Cb 0.00 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 3ix3 h PHE 102 CO -0.08 0.38 0.53 1.49 -2.23 0.00 0.00 178.31 178.40 3ix3 h GLU 103 N 0.81 1.04 -0.27 1.11 4.22 -1.06 0.41 114.58 120.83 3ix3 h GLU 103 Ca 0.36 -0.06 -0.16 0.00 0.08 0.00 0.00 59.36 59.58 3ix3 h GLU 103 Cb 0.26 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3ix3 h GLU 103 CO -0.21 0.69 -0.44 0.93 -2.18 0.00 0.00 179.01 177.79 3ix3 h GLU 104 N 1.07 0.78 -0.75 1.92 5.08 -0.94 -2.04 114.58 119.70 3ix3 h GLU 104 Ca 0.30 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3ix3 h GLU 104 Cb -0.10 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3ix3 h GLU 104 CO -0.07 1.10 0.32 0.00 -1.00 0.00 0.00 179.01 179.36 3ix3 h ALA 105 N 0.67 1.15 -0.60 3.43 0.00 -0.59 -1.75 119.26 121.57 3ix3 h ALA 105 Ca 0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3ix3 h ALA 105 Cb 1.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3ix3 h ALA 105 CO 0.10 0.62 0.14 0.77 0.00 0.00 0.00 179.25 180.89 3ix3 h SER 106 N 1.08 0.91 0.22 0.00 0.02 -0.84 -0.79 113.55 114.15 3ix3 h SER 106 Ca 0.25 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3ix3 h SER 106 Cb 0.17 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3ix3 h SER 106 CO -0.03 0.91 -0.18 0.00 -1.14 0.00 0.00 176.83 176.40 3ix3 h ALA 107 N 1.04 1.59 0.00 3.77 0.00 -0.96 -0.38 119.26 124.31 3ix3 h ALA 107 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ix3 h ALA 107 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ix3 h ALA 107 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3ix3 n ALA 108 N -2.45 2.66 -0.58 0.00 0.00 -0.70 -4.90 120.51 114.53 3ix3 n ALA 108 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3ix3 n ALA 108 Cb 0.25 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3ix3 n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ix3 n GLY 109 N 0.93 0.71 3.03 0.00 0.00 -0.15 -4.88 105.19 104.82 3ix3 n GLY 109 Ca 0.22 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3ix3 n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ix3 n LEU 110 N 0.00 5.68 -0.06 0.99 4.77 -0.37 -4.71 117.00 123.30 3ix3 n LEU 110 Ca 0.00 -5.19 -0.12 0.00 -0.03 0.00 0.00 56.01 50.67 3ix3 n LEU 110 Cb 0.00 -1.23 -0.05 0.00 -2.33 0.00 0.00 43.42 39.81 3ix3 n LEU 110 CO 0.00 1.64 -0.92 1.33 -1.33 0.00 0.00 177.39 178.11 3ix3 n VAL 111 N 1.68 0.69 -4.05 4.08 0.24 -1.26 -4.36 118.33 115.35 3ix3 n VAL 111 Ca 0.26 -0.21 -0.35 0.00 -2.04 0.00 0.00 64.34 62.00 3ix3 n VAL 111 Cb 0.36 -1.40 -0.11 0.00 -1.47 0.00 0.00 33.84 31.22 3ix3 n VAL 111 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3ix3 s TYR 112 N -2.23 3.16 -2.53 6.34 4.12 -1.26 -4.68 117.35 120.26 3ix3 s TYR 112 Ca -0.17 -0.13 0.00 0.00 0.02 0.00 0.00 57.07 56.79 3ix3 s TYR 112 Cb 0.06 -2.09 0.00 0.00 -1.52 0.00 0.00 41.96 38.41 3ix3 s TYR 112 CO 0.24 -0.01 0.00 0.41 0.02 0.00 0.00 175.55 176.21 3ix3 n GLY 113 N 3.85 -1.09 3.41 0.71 0.00 -1.26 -1.33 105.19 109.48 3ix3 n GLY 113 Ca -0.17 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 3ix3 n GLY 113 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ix3 s LEU 114 N 0.00 -0.28 -0.11 0.99 2.34 -0.49 -1.10 118.68 120.03 3ix3 s LEU 114 Ca 0.00 -0.12 0.02 0.00 0.06 0.00 0.00 54.13 54.09 3ix3 s LEU 114 Cb 0.00 2.38 0.01 0.00 -0.56 0.00 0.00 46.19 48.03 3ix3 s LEU 114 CO 0.00 -0.95 -0.16 -0.89 -1.06 0.00 0.00 176.35 173.29 3ix3 s THR 115 N -3.77 1.52 -0.34 5.48 2.01 -0.09 -1.04 115.64 119.41 3ix3 s THR 115 Ca 0.02 -0.66 -0.15 0.00 0.31 0.00 0.00 61.69 61.21 3ix3 s THR 115 Cb -0.00 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 3ix3 s THR 115 CO -0.12 0.44 0.34 -0.04 -0.69 0.00 0.00 174.62 174.56 3ix3 s MET 116 N 0.91 3.56 0.60 4.92 -1.94 0.27 -1.17 119.30 126.46 3ix3 s MET 116 Ca -0.08 -0.45 -0.19 0.00 -1.71 0.00 0.00 55.69 53.26 3ix3 s MET 116 Cb -0.15 -3.80 -0.03 0.00 2.01 0.00 0.00 34.83 32.86 3ix3 s MET 116 CO -0.00 -0.51 1.26 -2.14 -0.01 0.00 0.00 175.02 173.62 3ix3 s PRO 117 N 1.97 2.86 -0.09 2.03 0.02 -1.26 -0.92 135.00 139.61 3ix3 s PRO 117 Ca 0.11 1.98 0.04 0.00 0.02 0.00 0.00 61.00 63.14 3ix3 s PRO 117 Cb -0.17 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3ix3 s PRO 117 CO 0.11 -1.33 -0.22 -0.51 -0.33 0.00 0.00 177.00 174.72 3ix3 s LEU 118 N -4.06 2.02 -0.18 -5.54 1.43 0.28 -4.84 118.68 107.77 3ix3 s LEU 118 Ca 0.78 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 53.33 3ix3 s LEU 118 Cb -0.35 -1.31 0.06 0.00 0.03 0.00 0.00 46.19 44.62 3ix3 s LEU 118 CO 0.38 0.14 0.06 -1.00 0.23 0.00 0.00 176.35 176.16 3ix3 s HIS 119 N 0.36 0.65 0.61 0.29 3.76 -1.26 -1.00 115.29 118.70 3ix3 s HIS 119 Ca -0.17 -0.61 0.01 0.00 -0.15 0.00 0.00 55.06 54.14 3ix3 s HIS 119 Cb -0.17 -0.88 0.07 0.00 1.11 0.00 0.00 32.58 32.71 3ix3 s HIS 119 CO 0.08 -0.57 0.84 0.20 -0.85 0.00 0.00 174.74 174.45 3ix3 s GLY 120 N 1.99 1.80 0.58 -2.22 0.00 -0.34 -4.93 107.32 104.20 3ix3 s GLY 120 Ca 0.00 -1.52 0.37 0.00 0.00 0.00 0.00 44.72 43.57 3ix3 s GLY 120 CO -0.09 -1.13 2.10 0.00 0.00 0.00 0.00 173.10 173.98 3ix3 h ALA 121 N -0.11 1.01 -0.49 3.20 0.00 -1.98 -1.74 119.26 119.15 3ix3 h ALA 121 Ca -0.39 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 3ix3 h ALA 121 Cb 1.29 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 3ix3 h ALA 121 CO 0.47 0.01 0.06 0.54 0.00 0.00 0.00 179.25 180.33 3ix3 n ARG 122 N -3.10 3.77 -0.86 0.00 1.74 -1.26 -4.92 116.66 112.02 3ix3 n ARG 122 Ca -0.00 -3.04 0.00 0.00 -0.77 0.00 0.00 57.85 54.03 3ix3 n ARG 122 Cb 0.24 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 29.59 3ix3 n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ix3 n GLY 123 N -0.06 0.61 3.75 -0.13 0.00 -0.65 -4.30 105.19 104.41 3ix3 n GLY 123 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 3ix3 n GLY 123 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ix3 n GLU 124 N -2.76 2.08 -5.11 1.61 4.71 -1.26 -3.59 120.64 116.32 3ix3 n GLU 124 Ca 0.00 0.75 -0.31 0.00 -0.01 0.00 0.00 57.16 57.59 3ix3 n GLU 124 Cb 0.00 -2.60 -0.17 0.00 -1.01 0.00 0.00 31.44 27.66 3ix3 n GLU 124 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3ix3 s LEU 125 N -2.79 2.01 0.00 -4.62 2.96 -0.44 -1.20 118.68 114.61 3ix3 s LEU 125 Ca 0.64 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 3ix3 s LEU 125 Cb -0.44 -1.31 0.01 0.00 0.50 0.00 0.00 46.19 44.95 3ix3 s LEU 125 CO 0.55 0.14 0.12 0.61 -1.32 0.00 0.00 176.35 176.46 3ix3 n GLY 126 N 3.55 2.07 3.13 7.98 0.00 -0.17 -0.19 105.19 121.55 3ix3 n GLY 126 Ca -0.20 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 3ix3 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ix3 s ALA 127 N -1.31 -0.64 -0.33 4.61 0.00 -0.22 -0.56 121.76 123.32 3ix3 s ALA 127 Ca 0.03 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 3ix3 s ALA 127 Cb -0.01 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.68 3ix3 s ALA 127 CO 0.02 -0.15 0.06 -1.17 0.00 0.00 0.00 175.76 174.52 3ix3 s LEU 128 N 0.45 4.27 -0.12 0.00 2.96 -0.09 -0.88 118.68 125.26 3ix3 s LEU 128 Ca -0.03 -1.46 -0.07 0.00 -0.22 0.00 0.00 54.13 52.36 3ix3 s LEU 128 Cb -0.04 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3ix3 s LEU 128 CO -0.02 -0.33 0.13 -0.44 -1.32 0.00 0.00 176.35 174.37 3ix3 s SER 129 N 1.38 6.33 -0.04 3.68 0.01 0.46 -0.56 113.70 124.95 3ix3 s SER 129 Ca -0.01 0.45 -0.00 0.00 1.31 0.00 0.00 55.95 57.69 3ix3 s SER 129 Cb -0.20 -2.04 0.03 0.00 0.21 0.00 0.00 66.02 64.02 3ix3 s SER 129 CO -0.02 0.40 0.01 -0.76 0.41 0.00 0.00 173.24 173.29 3ix3 s LEU 130 N -1.04 0.90 -0.01 2.44 1.43 -0.20 -1.40 118.68 120.79 3ix3 s LEU 130 Ca 0.15 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.30 3ix3 s LEU 130 Cb -0.12 -0.25 -0.02 0.00 0.03 0.00 0.00 46.19 45.82 3ix3 s LEU 130 CO 0.04 -0.14 -0.22 -0.55 0.23 0.00 0.00 176.35 175.71 3ix3 s SER 131 N 1.38 3.44 0.02 2.29 0.15 0.14 -1.40 113.70 119.71 3ix3 s SER 131 Ca -0.05 -0.40 0.08 0.00 0.70 0.00 0.00 55.95 56.28 3ix3 s SER 131 Cb -0.13 -0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 63.64 3ix3 s SER 131 CO -0.03 0.31 -0.24 0.54 1.20 0.00 0.00 173.24 175.02 3ix3 s VAL 132 N -0.71 2.28 -0.03 4.45 0.11 -0.44 -2.50 120.40 123.55 3ix3 s VAL 132 Ca 0.11 -1.21 -0.19 0.00 -2.93 0.00 0.00 61.98 57.76 3ix3 s VAL 132 Cb -0.10 -1.87 -0.05 0.00 -1.53 0.00 0.00 36.38 32.83 3ix3 s VAL 132 CO 0.01 0.45 0.55 -1.61 -3.33 0.00 0.00 175.10 171.17 3ix3 s GLU 133 N -1.02 4.27 0.14 1.54 2.02 -1.26 -4.40 118.70 119.99 3ix3 s GLU 133 Ca 0.12 0.64 -0.21 0.00 0.02 0.00 0.00 54.97 55.53 3ix3 s GLU 133 Cb -0.10 -3.34 0.06 0.00 0.10 0.00 0.00 34.13 30.84 3ix3 s GLU 133 CO 0.01 0.37 0.55 0.00 0.02 0.00 0.00 175.26 176.21 3ix3 s ALA 134 N -0.14 -1.42 -0.19 5.21 0.00 -1.26 -4.93 121.76 119.02 3ix3 s ALA 134 Ca 0.29 0.38 0.17 0.00 0.00 0.00 0.00 51.96 52.80 3ix3 s ALA 134 Cb -0.17 0.79 0.16 0.00 0.00 0.00 0.00 23.12 23.90 3ix3 s ALA 134 CO 0.15 -0.71 1.49 0.93 0.00 0.00 0.00 175.76 177.62 3ix3 h GLU 135 N 2.16 0.00 -3.20 0.00 4.39 -1.97 -3.47 114.58 112.48 3ix3 h GLU 135 Ca -0.34 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.32 3ix3 h GLU 135 Cb 1.29 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 3ix3 h GLU 135 CO 0.40 0.40 0.18 0.54 -1.16 0.00 0.00 179.01 179.38 3ix3 s ASN 136 N -6.40 0.11 0.16 1.42 2.20 -1.26 -5.06 114.94 106.10 3ix3 s ASN 136 Ca 0.04 -1.12 -0.12 0.00 -0.94 0.00 0.00 52.86 50.72 3ix3 s ASN 136 Cb 0.07 0.80 0.05 0.00 -2.00 0.00 0.00 41.25 40.17 3ix3 s ASN 136 CO 0.73 -1.57 1.69 -0.09 -2.94 0.00 0.00 177.10 174.92 3ix3 h ARG 137 N 2.03 0.86 -0.66 3.55 9.65 -1.99 -0.81 114.38 127.00 3ix3 h ARG 137 Ca -0.30 -0.18 0.06 0.00 -1.10 0.00 0.00 59.98 58.46 3ix3 h ARG 137 Cb 1.25 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.65 3ix3 h ARG 137 CO 0.38 0.78 0.37 0.00 2.80 0.00 0.00 179.97 184.29 3ix3 h ALA 138 N 1.04 0.89 -0.21 2.80 0.00 -1.99 -0.30 119.26 121.49 3ix3 h ALA 138 Ca 0.18 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3ix3 h ALA 138 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ix3 h ALA 138 CO -0.01 0.05 -0.05 1.49 0.00 0.00 0.00 179.25 180.73 3ix3 h GLU 139 N 0.68 0.41 -0.68 0.00 4.81 -1.92 -2.08 114.58 115.79 3ix3 h GLU 139 Ca 0.30 -0.16 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 3ix3 h GLU 139 Cb 0.18 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 3ix3 h GLU 139 CO -0.18 0.66 0.32 0.00 -0.73 0.00 0.00 179.01 179.08 3ix3 h ALA 140 N 0.74 0.93 -0.68 2.92 0.00 -0.85 -0.86 119.26 121.46 3ix3 h ALA 140 Ca 0.05 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3ix3 h ALA 140 Cb 0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3ix3 h ALA 140 CO 0.02 -0.09 0.23 -0.91 0.00 0.00 0.00 179.25 178.50 3ix3 h ASN 141 N 0.54 0.97 -0.57 0.00 -0.26 -0.88 -0.64 115.58 114.74 3ix3 h ASN 141 Ca 0.34 -0.20 0.01 0.00 -0.56 0.00 0.00 56.30 55.89 3ix3 h ASN 141 Cb 0.38 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.36 3ix3 h ASN 141 CO -0.28 0.91 0.37 0.03 -1.06 0.00 0.00 177.43 177.40 3ix3 h ARG 142 N 0.98 0.73 -0.38 0.81 3.08 -0.63 -0.44 114.38 118.53 3ix3 h ARG 142 Ca 0.22 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3ix3 h ARG 142 Cb 0.27 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3ix3 h ARG 142 CO -0.01 0.49 0.19 0.74 -1.07 0.00 0.00 179.97 180.30 3ix3 h PHE 143 N 0.76 0.54 -0.15 3.04 0.04 -0.72 -2.44 116.94 118.01 3ix3 h PHE 143 Ca 0.21 -0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.86 3ix3 h PHE 143 Cb -0.07 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 37.91 3ix3 h PHE 143 CO -0.04 0.45 -0.27 0.52 -0.60 0.00 0.00 178.31 178.38 3ix3 h MET 144 N 0.48 0.45 -0.75 1.51 2.86 -0.93 -3.19 114.93 115.36 3ix3 h MET 144 Ca 0.13 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3ix3 h MET 144 Cb 0.11 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 3ix3 h MET 144 CO -0.02 0.88 0.47 0.93 1.06 0.00 0.00 176.91 180.23 3ix3 h GLU 145 N 0.08 1.00 0.00 1.72 5.08 -1.06 -1.97 114.58 119.42 3ix3 h GLU 145 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3ix3 h GLU 145 Cb 0.85 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3ix3 h GLU 145 CO 0.06 0.69 0.00 0.66 -1.00 0.00 0.00 179.01 179.42 3ix3 h SER 146 N 1.03 0.00 -0.01 1.42 4.64 -1.42 -2.91 113.55 116.29 3ix3 h SER 146 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3ix3 h SER 146 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3ix3 h SER 146 CO -0.05 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.24 3ix3 n VAL 147 N -2.98 0.45 -0.22 0.95 0.24 -0.93 -4.83 118.33 111.01 3ix3 n VAL 147 Ca -0.01 -0.73 -0.02 0.00 -2.04 0.00 0.00 64.34 61.54 3ix3 n VAL 147 Cb 0.17 0.78 0.08 0.00 -1.47 0.00 0.00 33.84 33.41 3ix3 n VAL 147 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3ix3 h LEU 148 N 0.17 0.53 -1.32 1.34 5.85 -1.16 -0.69 115.31 120.02 3ix3 h LEU 148 Ca 0.00 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3ix3 h LEU 148 Cb 0.25 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3ix3 h LEU 148 CO 0.00 0.35 -0.13 -0.65 -0.34 0.00 0.00 178.44 177.67 3ix3 h PRO 149 N 0.66 0.30 -0.17 5.25 0.11 -1.88 -1.25 132.00 135.02 3ix3 h PRO 149 Ca 0.28 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.16 3ix3 h PRO 149 Cb 0.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3ix3 h PRO 149 CO -0.17 0.44 -0.51 1.15 -0.21 0.00 0.00 178.00 178.70 3ix3 h THR 150 N 0.28 1.33 -0.01 -1.15 2.02 -1.71 -2.94 112.91 110.73 3ix3 h THR 150 Ca 0.06 -1.76 -0.05 0.00 0.77 0.00 0.00 66.41 65.43 3ix3 h THR 150 Cb 0.41 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 3ix3 h THR 150 CO 0.02 0.54 -0.24 0.17 0.37 0.00 0.00 175.52 176.39 3ix3 h LEU 151 N 0.30 0.01 -0.96 2.58 8.10 -0.96 -1.11 115.31 123.28 3ix3 h LEU 151 Ca -0.02 -0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.90 3ix3 h LEU 151 Cb 1.13 -0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.32 3ix3 h LEU 151 CO 0.11 0.26 0.01 -0.25 -4.11 0.00 0.00 178.44 174.45 3ix3 h TRP 152 N 0.01 0.81 -0.11 0.17 2.91 -1.07 -0.53 115.95 118.14 3ix3 h TRP 152 Ca 0.00 -0.11 -0.06 0.00 1.13 0.00 0.00 58.89 59.85 3ix3 h TRP 152 Cb 0.44 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 28.86 3ix3 h TRP 152 CO 0.00 0.75 -0.16 0.52 -1.03 0.00 0.00 178.44 178.52 3ix3 h MET 153 N 0.72 0.30 -0.67 2.65 2.86 -1.29 -3.31 114.93 116.20 3ix3 h MET 153 Ca 0.14 -0.18 0.12 0.00 -2.06 0.00 0.00 59.70 57.73 3ix3 h MET 153 Cb 0.43 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.02 3ix3 h MET 153 CO 0.02 0.75 0.21 1.25 1.06 0.00 0.00 176.91 180.20 3ix3 h LEU 154 N -0.12 0.14 -1.39 1.22 5.85 -0.77 -1.71 115.31 118.53 3ix3 h LEU 154 Ca 0.01 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3ix3 h LEU 154 Cb 0.72 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3ix3 h LEU 154 CO 0.04 0.06 0.23 0.07 -0.34 0.00 0.00 178.44 178.50 3ix3 h LYS 155 N 0.35 0.64 0.02 1.25 5.09 -1.19 0.15 116.57 122.89 3ix3 h LYS 155 Ca 0.36 -0.07 -0.25 0.00 0.09 0.00 0.00 60.65 60.78 3ix3 h LYS 155 Cb 0.52 -0.13 0.01 0.00 0.10 0.00 0.00 32.23 32.74 3ix3 h LYS 155 CO -0.39 0.49 -1.03 -0.44 -2.09 0.00 0.00 179.45 175.99 3ix3 h ASP 156 N 0.65 0.66 -0.71 7.07 3.32 -1.45 -0.78 116.42 125.18 3ix3 h ASP 156 Ca 0.16 -0.55 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 3ix3 h ASP 156 Cb 0.06 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 3ix3 h ASP 156 CO -0.02 1.36 0.37 1.88 -1.72 0.00 0.00 179.24 181.11 3ix3 h TYR 157 N 0.27 1.00 -0.56 4.55 -1.99 -0.92 -0.59 116.97 118.72 3ix3 h TYR 157 Ca -0.11 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.52 3ix3 h TYR 157 Cb 1.68 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 40.07 3ix3 h TYR 157 CO 0.08 0.72 0.11 0.00 -0.00 0.00 0.00 178.16 179.07 3ix3 h ALA 158 N 1.18 0.74 -0.10 3.88 0.00 -0.62 -2.07 119.26 122.27 3ix3 h ALA 158 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ix3 h ALA 158 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ix3 h ALA 158 CO -0.04 0.47 0.07 1.25 0.00 0.00 0.00 179.25 181.00 3ix3 h LEU 159 N 0.82 0.12 -0.58 0.00 5.85 -0.89 0.30 115.31 120.92 3ix3 h LEU 159 Ca 0.17 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3ix3 h LEU 159 Cb 0.38 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3ix3 h LEU 159 CO 0.01 0.10 0.17 -0.61 -0.34 0.00 0.00 178.44 177.77 3ix3 h GLN 160 N 0.13 0.91 -0.10 1.25 5.75 -0.93 -0.24 115.11 121.89 3ix3 h GLN 160 Ca 0.04 -0.20 -0.16 0.00 -0.15 0.00 0.00 58.65 58.18 3ix3 h GLN 160 Cb -0.00 -0.13 0.01 0.00 1.07 0.00 0.00 27.48 28.43 3ix3 h GLN 160 CO -0.01 0.82 -0.57 1.03 -2.65 0.00 0.00 178.83 177.46 3ix3 h SER 161 N 0.82 0.66 -0.09 -0.69 0.87 -1.38 -3.31 113.55 110.43 3ix3 h SER 161 Ca 0.19 -0.66 -0.10 0.00 -1.23 0.00 0.00 61.79 59.99 3ix3 h SER 161 Cb 0.30 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3ix3 h SER 161 CO -0.00 1.21 -0.25 1.23 -0.53 0.00 0.00 176.83 178.49 3ix3 h GLY 162 N 0.16 0.57 1.02 5.77 0.00 -0.19 -2.07 103.07 108.33 3ix3 h GLY 162 Ca -0.04 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 3ix3 h GLY 162 CO 0.12 0.43 0.46 0.00 0.00 0.00 0.00 176.54 177.55 3ix3 h ALA 163 N 1.27 1.09 -0.21 3.60 0.00 -1.16 0.88 119.26 124.73 3ix3 h ALA 163 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3ix3 h ALA 163 Cb 0.69 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ix3 h ALA 163 CO 0.05 0.60 0.01 0.78 0.00 0.00 0.00 179.25 180.69 3ix3 h GLY 164 N 1.18 0.39 1.00 0.00 0.00 -1.59 -2.04 103.07 102.02 3ix3 h GLY 164 Ca 0.30 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.36 3ix3 h GLY 164 CO -0.05 0.25 0.44 -2.00 0.00 0.00 0.00 176.54 175.19 3ix3 h LEU 165 N 0.13 0.77 -0.21 3.11 5.85 -1.09 -1.50 115.31 122.37 3ix3 h LEU 165 Ca 0.06 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 3ix3 h LEU 165 Cb 0.37 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3ix3 h LEU 165 CO 0.01 0.55 -0.50 0.00 -0.34 0.00 0.00 178.44 178.17 3ix3 h ALA 166 N 1.25 0.34 0.00 1.25 0.00 -0.78 -3.40 119.26 117.92 3ix3 h ALA 166 Ca 0.25 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ix3 h ALA 166 Cb -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ix3 h ALA 166 CO -0.06 0.51 -0.57 1.19 0.00 0.00 0.00 179.25 180.32 3ix3 n PHE 167 N -4.14 0.00 -4.37 0.00 0.99 -0.77 -5.04 117.46 104.13 3ix3 n PHE 167 Ca -0.06 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.05 3ix3 n PHE 167 Cb 0.59 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 38.98 3ix3 n PHE 167 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3ix3 s GLU 168 N -1.52 2.87 0.00 -1.08 2.02 -0.57 -5.05 118.70 115.36 3ix3 s GLU 168 Ca 0.00 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.50 3ix3 s GLU 168 Cb 0.00 -2.71 0.11 0.00 0.10 0.00 0.00 34.13 31.63 3ix3 s GLU 168 CO 0.00 0.66 0.60 1.58 0.02 0.00 0.00 175.26 178.13