#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipc s ASP 2 N 0.00 5.51 -0.33 3.17 1.01 -1.26 -4.70 116.67 120.06 3ipc s ASP 2 Ca 0.00 2.76 -0.24 0.00 0.71 0.00 0.00 52.55 55.79 3ipc s ASP 2 Cb 0.00 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.30 3ipc s ASP 2 CO 0.00 -1.41 0.81 -0.69 0.21 0.00 0.00 175.17 174.09 3ipc s VAL 3 N -1.30 4.74 -0.38 -1.27 1.01 0.45 -4.86 120.40 118.80 3ipc s VAL 3 Ca 0.68 1.09 -0.23 0.00 0.00 0.00 0.00 61.98 63.52 3ipc s VAL 3 Cb -0.40 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 31.79 3ipc s VAL 3 CO 0.49 -0.35 0.77 -0.69 0.00 0.00 0.00 175.10 175.31 3ipc s VAL 4 N 3.08 4.73 -0.12 2.92 1.01 -1.26 -0.71 120.40 130.04 3ipc s VAL 4 Ca 0.33 0.74 0.03 0.00 0.00 0.00 0.00 61.98 63.08 3ipc s VAL 4 Cb -0.13 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.03 3ipc s VAL 4 CO 0.15 -0.49 -0.23 -0.63 0.00 0.00 0.00 175.10 173.90 3ipc s ILE 5 N 3.11 2.07 0.06 2.22 1.01 -0.27 -1.04 121.20 128.35 3ipc s ILE 5 Ca 0.30 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 3ipc s ILE 5 Cb -0.13 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3ipc s ILE 5 CO 0.18 0.55 0.24 0.00 0.00 0.00 0.00 174.94 175.91 3ipc s ALA 6 N 0.61 3.95 -0.29 9.38 0.00 0.23 -1.74 121.76 133.89 3ipc s ALA 6 Ca -0.12 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 3ipc s ALA 6 Cb -0.17 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.06 3ipc s ALA 6 CO 0.03 0.77 0.04 0.08 0.00 0.00 0.00 175.76 176.68 3ipc s VAL 7 N -1.48 3.63 -0.26 0.00 1.01 0.08 -0.46 120.40 122.92 3ipc s VAL 7 Ca 0.34 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 3ipc s VAL 7 Cb -0.13 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3ipc s VAL 7 CO 0.24 0.08 0.09 -0.83 0.00 0.00 0.00 175.10 174.68 3ipc s GLY 8 N 1.44 1.79 0.12 4.51 0.00 -0.75 -1.03 107.32 113.39 3ipc s GLY 8 Ca 0.01 -1.17 -0.25 0.00 0.00 0.00 0.00 44.72 43.31 3ipc s GLY 8 CO 0.01 0.57 0.81 0.00 0.00 0.00 0.00 173.10 174.48 3ipc s ALA 9 N 1.62 -1.63 -1.15 3.20 0.00 -0.81 -3.95 121.76 119.04 3ipc s ALA 9 Ca 0.06 0.44 -0.19 0.00 0.00 0.00 0.00 51.96 52.27 3ipc s ALA 9 Cb -0.15 0.66 0.08 0.00 0.00 0.00 0.00 23.12 23.71 3ipc s ALA 9 CO 0.04 -0.86 1.53 -1.25 0.00 0.00 0.00 175.76 175.23 3ipc s PRO 10 N -3.45 3.83 0.34 0.00 0.04 -1.26 -1.17 135.00 133.33 3ipc s PRO 10 Ca 0.07 -1.77 0.18 0.00 0.04 0.00 0.00 61.00 59.51 3ipc s PRO 10 Cb -0.02 -5.34 0.45 0.00 0.04 0.00 0.00 34.50 29.63 3ipc s PRO 10 CO -0.04 -2.12 1.62 -0.07 0.04 0.00 0.00 177.00 176.43 3ipc h LEU 11 N 11.99 0.00 -9.54 -3.56 3.38 -1.86 -3.12 115.31 112.59 3ipc h LEU 11 Ca 0.32 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.70 3ipc h LEU 11 Cb 0.93 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 3ipc h LEU 11 CO 1.38 0.42 -0.51 0.42 0.09 0.00 0.00 178.44 180.25 3ipc s THR 12 N -3.34 0.65 0.00 0.22 -4.23 -1.26 -4.70 115.64 102.97 3ipc s THR 12 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3ipc s THR 12 Cb 0.10 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.64 3ipc s THR 12 CO 0.71 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 3ipc n GLY 13 N -0.98 -2.17 0.29 3.99 0.00 -1.26 -4.23 105.19 100.83 3ipc n GLY 13 Ca -0.08 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.35 3ipc n GLY 13 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ipc h PRO 14 N 0.00 0.00 -0.47 1.61 0.11 -1.95 -2.19 132.00 129.10 3ipc h PRO 14 Ca 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 3ipc h PRO 14 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 3ipc h PRO 14 CO 0.00 0.00 0.09 0.09 -0.21 0.00 0.00 178.00 177.97 3ipc n ASN 15 N -4.03 3.77 -0.24 -2.05 3.02 -1.26 -4.66 115.26 109.81 3ipc n ASN 15 Ca -0.03 -3.33 0.21 0.00 -0.03 0.00 0.00 54.58 51.41 3ipc n ASN 15 Cb 0.10 -0.65 0.55 0.00 -0.61 0.00 0.00 39.78 39.17 3ipc n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ipc h ALA 16 N 1.80 2.31 -0.61 5.41 0.00 -1.44 0.09 119.26 126.82 3ipc h ALA 16 Ca 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ipc h ALA 16 Cb 1.85 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 3ipc h ALA 16 CO 0.47 -0.61 0.20 0.00 0.00 0.00 0.00 179.25 179.32 3ipc h ALA 17 N 1.60 1.21 -0.08 0.00 0.00 -1.82 -0.14 119.26 120.04 3ipc h ALA 17 Ca 0.48 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 3ipc h ALA 17 Cb 1.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3ipc h ALA 17 CO -0.16 0.56 -0.69 0.74 0.00 0.00 0.00 179.25 179.69 3ipc h PHE 18 N 0.89 0.46 -0.91 0.00 0.04 -1.30 -1.81 116.94 114.31 3ipc h PHE 18 Ca 0.20 -0.20 0.03 0.00 2.80 0.00 0.00 57.97 60.80 3ipc h PHE 18 Cb 0.24 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.26 3ipc h PHE 18 CO 0.02 0.93 0.59 0.78 -0.60 0.00 0.00 178.31 180.03 3ipc h GLY 19 N 1.37 1.32 0.98 -1.45 0.00 -0.78 -1.55 103.07 102.95 3ipc h GLY 19 Ca -0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 3ipc h GLY 19 CO 0.11 0.40 -0.11 0.00 0.00 0.00 0.00 176.54 176.95 3ipc h ALA 20 N 1.37 0.54 -0.33 3.60 0.00 -0.79 0.82 119.26 124.47 3ipc h ALA 20 Ca 0.36 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3ipc h ALA 20 Cb -0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.55 3ipc h ALA 20 CO -0.11 0.41 -0.18 1.96 0.00 0.00 0.00 179.25 181.33 3ipc h GLN 21 N 0.57 -0.13 -0.18 0.00 4.20 -1.06 0.69 115.11 119.20 3ipc h GLN 21 Ca 0.10 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 3ipc h GLN 21 Cb 0.63 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 3ipc h GLN 21 CO 0.04 -0.09 -0.07 0.82 -0.67 0.00 0.00 178.83 178.87 3ipc h ILE 22 N -0.14 1.30 -0.04 2.54 2.04 -1.02 -1.79 117.51 120.40 3ipc h ILE 22 Ca 0.17 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 3ipc h ILE 22 Cb 0.40 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3ipc h ILE 22 CO -0.42 0.32 0.03 -0.61 0.00 0.00 0.00 178.15 177.47 3ipc h GLN 23 N 0.05 0.06 -0.74 2.37 4.15 -0.71 -1.82 115.11 118.47 3ipc h GLN 23 Ca 0.04 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 3ipc h GLN 23 Cb 0.53 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 3ipc h GLN 23 CO 0.02 0.09 0.21 0.87 -1.93 0.00 0.00 178.83 178.09 3ipc h LYS 24 N 0.01 1.16 -0.19 1.69 1.79 -0.87 -0.07 116.57 120.10 3ipc h LYS 24 Ca 0.02 -0.26 -0.01 0.00 -2.18 0.00 0.00 60.65 58.21 3ipc h LYS 24 Cb 0.04 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 3ipc h LYS 24 CO -0.00 1.00 0.07 0.78 -1.08 0.00 0.00 179.45 180.21 3ipc h GLY 25 N 1.10 0.31 1.09 3.86 0.00 -1.23 -1.73 103.07 106.47 3ipc h GLY 25 Ca 0.23 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 3ipc h GLY 25 CO -0.00 0.16 -0.15 0.00 0.00 0.00 0.00 176.54 176.55 3ipc h ALA 26 N 0.90 0.70 -0.60 3.60 0.00 -1.17 -2.05 119.26 120.64 3ipc h ALA 26 Ca 0.06 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 3ipc h ALA 26 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ipc h ALA 26 CO -0.00 0.64 0.10 0.93 0.00 0.00 0.00 179.25 180.92 3ipc h GLU 27 N 0.86 0.98 -0.49 0.00 5.08 -0.96 -0.86 114.58 119.19 3ipc h GLU 27 Ca 0.12 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 3ipc h GLU 27 Cb 0.72 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3ipc h GLU 27 CO 0.06 0.93 -0.18 0.37 -1.00 0.00 0.00 179.01 179.18 3ipc h GLN 28 N 0.89 0.99 -0.60 2.33 5.75 -1.23 -1.72 115.11 121.51 3ipc h GLN 28 Ca 0.18 -0.40 -0.01 0.00 -0.15 0.00 0.00 58.65 58.26 3ipc h GLN 28 Cb 0.42 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 3ipc h GLN 28 CO 0.01 1.08 0.32 0.00 -2.65 0.00 0.00 178.83 177.59 3ipc h ALA 29 N 0.92 0.78 -0.71 3.38 0.00 -1.11 -0.53 119.26 121.97 3ipc h ALA 29 Ca 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3ipc h ALA 29 Cb 0.76 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3ipc h ALA 29 CO 0.06 0.31 0.33 0.00 0.00 0.00 0.00 179.25 179.95 3ipc h ALA 30 N 1.15 0.92 -0.47 0.00 0.00 -0.95 0.75 119.26 120.65 3ipc h ALA 30 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ipc h ALA 30 Cb 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3ipc h ALA 30 CO -0.03 0.49 0.31 -0.22 0.00 0.00 0.00 179.25 179.80 3ipc h LYS 31 N 1.00 0.63 -0.33 0.00 3.64 -0.99 0.42 116.57 120.94 3ipc h LYS 31 Ca 0.24 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 3ipc h LYS 31 Cb 0.13 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3ipc h LYS 31 CO -0.03 0.42 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.04 3ipc h ASP 32 N 0.64 0.65 -0.49 4.20 3.32 -0.67 -1.15 116.42 122.92 3ipc h ASP 32 Ca 0.17 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 3ipc h ASP 32 Cb -0.07 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3ipc h ASP 32 CO -0.04 0.87 0.23 0.40 -1.72 0.00 0.00 179.24 178.98 3ipc h ILE 33 N 0.42 1.19 -0.93 0.35 2.04 -0.78 -2.59 117.51 117.22 3ipc h ILE 33 Ca 0.08 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3ipc h ILE 33 Cb 0.59 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 3ipc h ILE 33 CO 0.03 0.21 0.61 0.78 0.00 0.00 0.00 178.15 179.79 3ipc h ASN 34 N 0.64 1.05 0.61 1.72 2.35 -0.76 -0.39 115.58 120.81 3ipc h ASN 34 Ca 0.17 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3ipc h ASN 34 Cb 0.13 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 3ipc h ASN 34 CO -0.02 0.75 -0.10 0.00 -1.65 0.00 0.00 177.43 176.41 3ipc h ALA 35 N 1.35 1.12 -0.24 -0.83 0.00 -0.99 -1.99 119.26 117.68 3ipc h ALA 35 Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ipc h ALA 35 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ipc h ALA 35 CO -0.09 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3ipc n ALA 36 N -2.20 2.48 0.00 0.00 0.00 -0.68 -4.90 120.51 115.21 3ipc n ALA 36 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 3ipc n ALA 36 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3ipc n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ipc n GLY 37 N 1.27 0.99 6.10 0.00 0.00 -0.75 -5.05 105.19 107.74 3ipc n GLY 37 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ipc n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ipc n GLY 38 N -0.12 -1.69 3.47 -0.02 0.00 -0.24 -3.66 105.19 102.93 3ipc n GLY 38 Ca 0.00 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 3ipc n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ipc s ILE 39 N 0.00 4.82 -1.57 -0.61 1.01 0.68 -4.42 121.20 121.11 3ipc s ILE 39 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.22 3ipc s ILE 39 Cb 0.00 -3.45 0.09 0.00 0.01 0.00 0.00 42.46 39.11 3ipc s ILE 39 CO 0.00 0.06 0.63 0.59 0.00 0.00 0.00 174.94 176.22 3ipc n ASN 40 N 5.02 -2.07 0.00 3.58 3.02 -1.26 -1.42 115.26 122.12 3ipc n ASN 40 Ca -0.14 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 3ipc n ASN 40 Cb 0.49 -2.91 0.00 0.00 -0.61 0.00 0.00 39.78 36.75 3ipc n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ipc n GLY 41 N -1.69 1.12 3.43 7.41 0.00 -1.24 -5.03 105.19 109.19 3ipc n GLY 41 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 3ipc n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ipc s GLU 42 N -0.28 2.65 0.41 1.61 2.02 -0.51 -4.87 118.70 119.73 3ipc s GLU 42 Ca 0.00 -0.72 -0.24 0.00 0.02 0.00 0.00 54.97 54.02 3ipc s GLU 42 Cb 0.00 -2.39 -0.08 0.00 0.10 0.00 0.00 34.13 31.76 3ipc s GLU 42 CO 0.00 0.53 1.14 -0.65 0.02 0.00 0.00 175.26 176.30 3ipc s GLN 43 N -0.48 4.00 0.09 1.61 -1.52 -1.26 -0.23 119.66 121.87 3ipc s GLN 43 Ca 0.06 1.76 -0.29 0.00 -1.95 0.00 0.00 55.36 54.94 3ipc s GLN 43 Cb -0.12 -2.58 -0.06 0.00 -0.22 0.00 0.00 33.01 30.03 3ipc s GLN 43 CO 0.02 -0.34 0.91 0.42 -0.25 0.00 0.00 175.29 176.04 3ipc s ILE 44 N -1.49 4.58 -0.19 1.08 1.01 -1.26 -0.41 121.20 124.52 3ipc s ILE 44 Ca 0.59 1.95 -0.03 0.00 0.00 0.00 0.00 60.65 63.16 3ipc s ILE 44 Cb -0.28 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 37.91 3ipc s ILE 44 CO 0.35 0.32 -0.07 -0.75 0.00 0.00 0.00 174.94 174.79 3ipc s LYS 45 N 0.03 3.37 -0.08 2.79 2.47 0.11 -4.88 119.74 123.56 3ipc s LYS 45 Ca 0.45 -0.64 -0.17 0.00 -1.56 0.00 0.00 55.97 54.04 3ipc s LYS 45 Cb -0.22 -2.89 -0.05 0.00 -1.46 0.00 0.00 37.83 33.21 3ipc s LYS 45 CO 0.28 -0.08 0.46 0.42 0.16 0.00 0.00 175.35 176.59 3ipc s ILE 46 N 1.14 5.12 0.07 5.43 -1.09 -1.26 -1.11 121.20 129.50 3ipc s ILE 46 Ca 0.01 0.94 0.09 0.00 -2.23 0.00 0.00 60.65 59.46 3ipc s ILE 46 Cb -0.14 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 3ipc s ILE 46 CO -0.02 0.40 -0.24 0.68 -1.23 0.00 0.00 174.94 174.53 3ipc s VAL 47 N 0.11 2.37 0.02 2.92 -7.23 -0.71 -4.97 120.40 112.90 3ipc s VAL 47 Ca 0.25 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 59.00 3ipc s VAL 47 Cb -0.16 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 3ipc s VAL 47 CO 0.11 0.27 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.36 3ipc s LEU 48 N -1.57 3.25 -0.02 1.32 1.43 -1.26 -0.74 118.68 121.08 3ipc s LEU 48 Ca 0.13 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3ipc s LEU 48 Cb -0.10 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.26 3ipc s LEU 48 CO 0.04 0.27 0.04 -0.83 0.23 0.00 0.00 176.35 176.10 3ipc s GLY 49 N -1.57 0.12 -0.42 -3.19 0.00 -0.20 -4.93 107.32 97.13 3ipc s GLY 49 Ca 0.19 0.29 -0.17 0.00 0.00 0.00 0.00 44.72 45.02 3ipc s GLY 49 CO 0.09 0.83 0.40 -0.35 0.00 0.00 0.00 173.10 174.08 3ipc s ASP 50 N 1.29 6.17 0.00 1.64 2.15 -1.26 -1.92 116.67 124.75 3ipc s ASP 50 Ca -0.06 -0.71 0.26 0.00 0.43 0.00 0.00 52.55 52.47 3ipc s ASP 50 Cb -0.13 -2.21 0.77 0.00 -0.30 0.00 0.00 42.92 41.05 3ipc s ASP 50 CO -0.03 -0.54 1.58 -0.90 -0.17 0.00 0.00 175.17 175.11 3ipc n ASP 51 N 5.49 0.54 -1.99 -0.34 5.68 -0.32 -4.80 116.55 120.81 3ipc n ASP 51 Ca -0.08 -0.33 -0.14 0.00 -0.50 0.00 0.00 54.79 53.74 3ipc n ASP 51 Cb 0.47 0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.50 3ipc n ASP 51 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3ipc n VAL 52 N -1.24 -0.37 -2.46 2.12 0.31 -1.26 -0.83 118.33 114.61 3ipc n VAL 52 Ca 0.08 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.27 3ipc n VAL 52 Cb 0.33 -1.66 -0.01 0.00 -0.91 0.00 0.00 33.84 31.59 3ipc n VAL 52 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3ipc n SER 53 N -1.29 -4.45 -4.03 4.52 7.64 -1.26 -4.79 113.62 109.96 3ipc n SER 53 Ca -0.15 0.12 -0.31 0.00 1.01 0.00 0.00 58.87 59.54 3ipc n SER 53 Cb 0.55 -3.75 -0.16 0.00 -1.01 0.00 0.00 64.21 59.84 3ipc n SER 53 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ipc s ASP 54 N -2.06 3.57 0.31 6.43 3.68 -0.01 -4.94 116.67 123.66 3ipc s ASP 54 Ca 0.01 -0.96 0.07 0.00 2.13 0.00 0.00 52.55 53.80 3ipc s ASP 54 Cb -0.01 -1.33 0.77 0.00 -1.45 0.00 0.00 42.92 40.90 3ipc s ASP 54 CO 0.02 -0.13 1.78 -0.65 0.13 0.00 0.00 175.17 176.31 3ipc h PRO 55 N 7.93 0.72 -0.70 4.34 0.11 -1.84 0.91 132.00 143.47 3ipc h PRO 55 Ca -0.29 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 3ipc h PRO 55 Cb 1.09 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.01 3ipc h PRO 55 CO 0.50 0.47 0.25 0.87 -0.21 0.00 0.00 178.00 179.88 3ipc h LYS 56 N 0.74 1.06 -0.01 1.05 1.57 -1.93 -1.69 116.57 117.37 3ipc h LYS 56 Ca 0.57 -0.21 -0.17 0.00 -1.87 0.00 0.00 60.65 58.97 3ipc h LYS 56 Cb 0.93 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 3ipc h LYS 56 CO -0.37 0.90 -0.76 1.96 -0.57 0.00 0.00 179.45 180.61 3ipc h GLN 57 N 1.01 0.11 -0.80 3.15 4.20 -1.44 -2.77 115.11 118.57 3ipc h GLN 57 Ca 0.23 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3ipc h GLN 57 Cb 0.25 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 3ipc h GLN 57 CO -0.01 0.82 0.52 0.78 -0.67 0.00 0.00 178.83 180.26 3ipc h GLY 58 N 1.96 1.14 1.33 3.46 0.00 -0.60 -1.15 103.07 109.21 3ipc h GLY 58 Ca -0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 3ipc h GLY 58 CO 0.11 0.43 -0.18 -2.22 0.00 0.00 0.00 176.54 174.68 3ipc h ILE 59 N 1.09 1.27 -0.52 2.60 1.08 -1.09 -0.06 117.51 121.89 3ipc h ILE 59 Ca 0.29 -1.27 -0.04 0.00 -0.39 0.00 0.00 64.86 63.45 3ipc h ILE 59 Cb -0.10 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 3ipc h ILE 59 CO -0.06 0.43 0.17 0.28 -0.69 0.00 0.00 178.15 178.28 3ipc h SER 60 N 0.69 0.74 -0.47 1.72 0.02 -1.19 -1.98 113.55 113.08 3ipc h SER 60 Ca 0.10 -0.20 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3ipc h SER 60 Cb 0.68 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 3ipc h SER 60 CO 0.05 0.74 0.18 0.58 -1.14 0.00 0.00 176.83 177.24 3ipc h VAL 61 N 0.70 0.86 -0.83 2.27 2.07 -0.93 -1.29 116.25 119.10 3ipc h VAL 61 Ca 0.17 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.60 3ipc h VAL 61 Cb 0.25 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 3ipc h VAL 61 CO -0.01 0.07 0.53 0.00 0.02 0.00 0.00 177.57 178.18 3ipc h ALA 62 N 1.30 1.10 -0.49 1.67 0.00 -0.71 -0.28 119.26 121.86 3ipc h ALA 62 Ca 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ipc h ALA 62 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ipc h ALA 62 CO -0.22 0.34 0.23 -0.91 0.00 0.00 0.00 179.25 178.69 3ipc h ASN 63 N 1.01 0.65 -0.58 0.00 2.35 -0.94 -1.55 115.58 116.52 3ipc h ASN 63 Ca 0.34 -0.13 0.07 0.00 -0.55 0.00 0.00 56.30 56.02 3ipc h ASN 63 Cb 0.05 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.19 3ipc h ASN 63 CO -0.13 0.60 0.27 0.50 -1.65 0.00 0.00 177.43 177.02 3ipc h LYS 64 N 0.65 0.48 -0.26 0.81 3.64 -0.55 -1.44 116.57 119.91 3ipc h LYS 64 Ca 0.17 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3ipc h LYS 64 Cb 0.13 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3ipc h LYS 64 CO -0.02 0.32 0.16 0.74 -2.27 0.00 0.00 179.45 178.38 3ipc h PHE 65 N 0.50 0.33 -0.36 1.91 0.04 -0.80 -1.32 116.94 117.24 3ipc h PHE 65 Ca 0.27 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.10 3ipc h PHE 65 Cb 0.24 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.23 3ipc h PHE 65 CO -0.12 0.24 0.03 0.28 -0.60 0.00 0.00 178.31 178.15 3ipc h VAL 66 N 0.33 0.78 -0.50 -0.55 2.07 -0.91 -1.97 116.25 115.50 3ipc h VAL 66 Ca 0.09 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.60 3ipc h VAL 66 Cb 0.00 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3ipc h VAL 66 CO -0.02 0.03 0.33 0.00 0.02 0.00 0.00 177.57 177.93 3ipc h ALA 67 N 1.29 1.77 -0.14 1.67 0.00 -0.92 -2.30 119.26 120.63 3ipc h ALA 67 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ipc h ALA 67 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ipc h ALA 67 CO -0.26 0.17 0.00 -0.25 0.00 0.00 0.00 179.25 178.92 3ipc n ASP 68 N -4.47 1.18 -0.21 0.00 8.00 -0.53 -4.89 116.55 115.62 3ipc n ASP 68 Ca 0.06 -1.69 -0.03 0.00 0.71 0.00 0.00 54.79 53.84 3ipc n ASP 68 Cb 0.15 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 3ipc n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ipc n GLY 69 N 1.00 0.52 3.74 0.44 0.00 -0.87 -4.99 105.19 105.03 3ipc n GLY 69 Ca 0.14 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 3ipc n GLY 69 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ipc n VAL 70 N -3.12 1.78 -0.05 1.61 0.31 -0.79 -4.68 118.33 113.40 3ipc n VAL 70 Ca -0.03 -0.45 -0.05 0.00 -0.01 0.00 0.00 64.34 63.80 3ipc n VAL 70 Cb 0.16 -1.83 -0.08 0.00 -0.91 0.00 0.00 33.84 31.18 3ipc n VAL 70 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3ipc n LYS 71 N 0.84 2.16 -4.13 5.55 4.76 -0.21 -4.83 118.16 122.30 3ipc n LYS 71 Ca 0.04 -0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.33 3ipc n LYS 71 Cb 0.37 -1.27 -0.14 0.00 -1.84 0.00 0.00 35.03 32.15 3ipc n LYS 71 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3ipc s PHE 72 N -2.26 0.47 -0.14 2.13 0.08 -1.19 -2.17 117.98 114.91 3ipc s PHE 72 Ca -0.06 -0.14 0.02 0.00 0.12 0.00 0.00 56.93 56.87 3ipc s PHE 72 Cb 0.03 -0.30 0.01 0.00 -0.57 0.00 0.00 43.02 42.19 3ipc s PHE 72 CO 0.42 -0.02 -0.21 0.08 -0.10 0.00 0.00 175.22 175.39 3ipc s VAL 73 N -0.30 2.15 -0.40 -0.44 1.01 0.39 -0.61 120.40 122.20 3ipc s VAL 73 Ca 0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 3ipc s VAL 73 Cb -0.03 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.50 3ipc s VAL 73 CO -0.00 0.55 0.52 -0.69 0.00 0.00 0.00 175.10 175.47 3ipc s VAL 74 N 0.79 4.99 -5.00 2.92 1.01 0.40 -0.74 120.40 124.78 3ipc s VAL 74 Ca -0.07 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3ipc s VAL 74 Cb -0.16 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.17 3ipc s VAL 74 CO -0.01 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.30 3ipc n GLY 75 N 4.99 0.10 0.00 4.51 0.00 -0.75 -1.81 105.19 112.23 3ipc n GLY 75 Ca -0.05 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3ipc n GLY 75 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ipc n HIS 76 N 3.30 -0.44 -0.11 1.61 8.25 -1.25 -3.28 115.22 123.30 3ipc n HIS 76 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 3ipc n HIS 76 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 3ipc n HIS 76 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ipc n ALA 77 N -3.00 0.90 -1.98 -1.41 0.00 -1.26 -4.16 120.51 109.60 3ipc n ALA 77 Ca 0.00 -0.76 -0.40 0.00 0.00 0.00 0.00 53.44 52.28 3ipc n ALA 77 Cb 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 3ipc n ALA 77 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3ipc s ASN 78 N -6.79 7.50 0.25 0.00 -0.87 -1.26 -2.81 114.94 110.97 3ipc s ASN 78 Ca -0.31 1.78 -0.04 0.00 -1.57 0.00 0.00 52.86 52.72 3ipc s ASN 78 Cb 0.08 -2.56 0.28 0.00 -0.02 0.00 0.00 41.25 39.03 3ipc s ASN 78 CO 0.47 0.12 1.81 0.28 -2.57 0.00 0.00 177.10 177.21 3ipc h SER 79 N 4.61 0.95 0.73 -1.22 0.02 -1.93 0.05 113.55 116.77 3ipc h SER 79 Ca -0.45 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3ipc h SER 79 Cb 1.20 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3ipc h SER 79 CO 0.68 0.87 0.00 1.23 -1.14 0.00 0.00 176.83 178.47 3ipc h GLY 80 N 1.07 0.00 0.21 -3.77 0.00 -1.98 -0.29 103.07 98.31 3ipc h GLY 80 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.30 3ipc h GLY 80 CO -0.01 0.00 -1.36 -2.08 0.00 0.00 0.00 176.54 173.09 3ipc h VAL 81 N 0.00 0.92 -0.37 4.60 2.07 -1.79 -3.40 116.25 118.29 3ipc h VAL 81 Ca 0.00 -2.25 -0.08 0.00 0.82 0.00 0.00 66.70 65.19 3ipc h VAL 81 Cb 0.37 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3ipc h VAL 81 CO 0.00 0.50 -0.10 0.28 0.02 0.00 0.00 177.57 178.28 3ipc h SER 82 N -0.68 0.62 0.32 0.57 0.02 -0.62 -2.13 113.55 111.65 3ipc h SER 82 Ca -0.34 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.43 3ipc h SER 82 Cb 1.50 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.88 3ipc h SER 82 CO -0.10 0.76 -0.15 0.40 -1.14 0.00 0.00 176.83 176.59 3ipc h ILE 83 N 0.59 0.70 -0.68 3.27 2.04 -1.29 -0.32 117.51 121.83 3ipc h ILE 83 Ca 0.11 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 3ipc h ILE 83 Cb 0.52 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3ipc h ILE 83 CO 0.03 0.09 0.12 -0.65 0.00 0.00 0.00 178.15 177.73 3ipc h PRO 84 N -0.66 1.12 -0.79 2.37 0.11 -1.76 -2.98 132.00 129.40 3ipc h PRO 84 Ca -0.04 -0.30 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 3ipc h PRO 84 Cb 0.47 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 3ipc h PRO 84 CO 0.07 1.02 0.47 0.00 -0.21 0.00 0.00 178.00 179.34 3ipc h ALA 85 N 1.07 1.33 -0.07 -0.75 0.00 -1.33 -2.48 119.26 117.03 3ipc h ALA 85 Ca 0.21 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ipc h ALA 85 Cb 0.44 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ipc h ALA 85 CO 0.01 0.57 0.05 0.66 0.00 0.00 0.00 179.25 180.54 3ipc h SER 86 N 1.09 0.00 -0.30 0.00 4.64 -0.89 -1.28 113.55 116.81 3ipc h SER 86 Ca 0.28 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.47 3ipc h SER 86 Cb -0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3ipc h SER 86 CO -0.05 0.00 -0.34 -0.33 -0.87 0.00 0.00 176.83 175.24 3ipc h GLU 87 N 0.00 0.77 -0.28 4.77 5.08 -1.47 0.21 114.58 123.66 3ipc h GLU 87 Ca 0.03 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 58.01 3ipc h GLU 87 Cb 0.13 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3ipc h GLU 87 CO -0.00 1.05 0.08 0.28 -1.00 0.00 0.00 179.01 179.42 3ipc h VAL 88 N 0.53 0.91 -0.62 3.13 2.07 -1.29 -1.64 116.25 119.32 3ipc h VAL 88 Ca 0.04 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3ipc h VAL 88 Cb 0.93 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3ipc h VAL 88 CO 0.08 0.04 0.31 1.88 0.02 0.00 0.00 177.57 179.90 3ipc h TYR 89 N 0.20 0.88 0.00 1.57 0.99 -1.14 -2.64 116.97 116.83 3ipc h TYR 89 Ca 0.12 -0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.78 3ipc h TYR 89 Cb 0.11 -0.27 -0.01 0.00 1.00 0.00 0.00 36.73 37.56 3ipc h TYR 89 CO -0.14 0.65 -0.17 0.00 -0.00 0.00 0.00 178.16 178.50 3ipc h ALA 90 N 1.14 1.59 -0.02 3.88 0.00 -0.27 -1.41 119.26 124.17 3ipc h ALA 90 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ipc h ALA 90 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ipc h ALA 90 CO -0.03 0.21 -0.06 0.39 0.00 0.00 0.00 179.25 179.76 3ipc n GLU 91 N -4.14 1.63 -1.31 0.00 1.02 -0.64 -4.24 120.64 112.96 3ipc n GLU 91 Ca -0.02 -1.06 0.04 0.00 -0.02 0.00 0.00 57.16 56.10 3ipc n GLU 91 Cb 0.24 -1.48 0.05 0.00 -0.02 0.00 0.00 31.44 30.23 3ipc n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ipc n ASN 92 N 0.24 1.05 -1.26 1.62 4.13 -0.76 -5.02 115.26 115.26 3ipc n ASN 92 Ca 0.17 -2.27 -0.11 0.00 1.68 0.00 0.00 54.58 54.05 3ipc n ASN 92 Cb 0.40 -0.33 -0.01 0.00 -1.54 0.00 0.00 39.78 38.31 3ipc n ASN 92 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ipc n GLY 93 N 0.24 0.03 3.24 7.41 0.00 -1.03 -4.98 105.19 110.09 3ipc n GLY 93 Ca 0.07 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 3ipc n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ipc s ILE 94 N -2.56 2.40 -0.02 -0.61 1.01 -0.61 -4.69 121.20 116.14 3ipc s ILE 94 Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.52 3ipc s ILE 94 Cb 0.00 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 3ipc s ILE 94 CO 0.00 0.53 0.81 -0.22 0.00 0.00 0.00 174.94 176.06 3ipc s LEU 95 N 0.70 4.37 -0.19 2.97 0.20 -0.92 -4.18 118.68 121.62 3ipc s LEU 95 Ca -0.09 1.41 -0.01 0.00 0.69 0.00 0.00 54.13 56.13 3ipc s LEU 95 Cb -0.16 -3.28 0.00 0.00 -0.43 0.00 0.00 46.19 42.33 3ipc s LEU 95 CO 0.01 -0.13 -0.13 -0.70 -0.29 0.00 0.00 176.35 175.12 3ipc s GLU 96 N 0.63 3.19 -0.27 1.98 2.12 -0.17 -0.46 118.70 125.73 3ipc s GLU 96 Ca 0.42 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 55.02 3ipc s GLU 96 Cb -0.19 -2.75 0.05 0.00 0.26 0.00 0.00 34.13 31.50 3ipc s GLU 96 CO 0.23 -0.15 -0.07 -1.50 -0.54 0.00 0.00 175.26 173.23 3ipc s ILE 97 N 1.24 2.58 0.01 -3.70 2.07 0.09 -1.32 121.20 122.17 3ipc s ILE 97 Ca 0.03 -1.38 -0.22 0.00 -1.41 0.00 0.00 60.65 57.67 3ipc s ILE 97 Cb -0.14 -2.43 -0.05 0.00 0.13 0.00 0.00 42.46 39.96 3ipc s ILE 97 CO -0.06 0.03 0.65 0.28 -1.91 0.00 0.00 174.94 173.93 3ipc s THR 98 N 1.21 4.85 -1.41 4.00 -1.32 -0.14 -1.80 115.64 121.02 3ipc s THR 98 Ca -0.05 1.38 0.27 0.00 -1.21 0.00 0.00 61.69 62.07 3ipc s THR 98 Cb -0.19 -3.99 0.21 0.00 -1.51 0.00 0.00 72.50 67.02 3ipc s THR 98 CO -0.04 0.40 1.60 -0.81 -2.21 0.00 0.00 174.62 173.55 3ipc n PRO 99 N 2.75 0.45 0.00 7.08 -0.04 -1.26 -1.10 135.00 142.88 3ipc n PRO 99 Ca -0.05 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 3ipc n PRO 99 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3ipc n PRO 99 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ipc n ALA 100 N -1.07 0.00 -2.68 0.55 0.00 -1.26 -4.14 120.51 111.91 3ipc n ALA 100 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 3ipc n ALA 100 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 3ipc n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ipc s ALA 101 N 0.00 3.48 -0.40 0.00 0.00 -1.12 -4.86 121.76 118.87 3ipc s ALA 101 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.25 3ipc s ALA 101 Cb 0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 3ipc s ALA 101 CO 0.00 -0.67 0.34 0.25 0.00 0.00 0.00 175.76 175.68 3ipc n THR 102 N 4.71 0.00 -1.73 0.00 -2.24 -1.26 -4.92 114.28 108.84 3ipc n THR 102 Ca 0.08 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 3ipc n THR 102 Cb 0.48 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.71 3ipc n THR 102 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ipc s ASN 103 N -1.44 6.40 0.42 3.42 3.84 -1.26 -0.79 114.94 125.53 3ipc s ASN 103 Ca 0.03 2.83 0.15 0.00 0.21 0.00 0.00 52.86 56.08 3ipc s ASN 103 Cb 0.05 -2.59 1.03 0.00 -0.55 0.00 0.00 41.25 39.19 3ipc s ASN 103 CO 0.23 -0.98 1.90 -0.65 -2.79 0.00 0.00 177.10 174.82 3ipc h PRO 104 N 7.32 0.43 -0.78 0.43 0.11 -1.94 -2.23 132.00 135.34 3ipc h PRO 104 Ca -0.44 -0.03 0.20 0.00 0.11 0.00 0.00 66.00 65.84 3ipc h PRO 104 Cb 1.21 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 3ipc h PRO 104 CO 0.95 0.28 0.54 0.28 -0.21 0.00 0.00 178.00 179.85 3ipc h VAL 105 N 0.44 0.68 -0.91 3.15 2.07 -1.94 -2.21 116.25 117.54 3ipc h VAL 105 Ca 0.40 -0.07 0.18 0.00 0.82 0.00 0.00 66.70 68.03 3ipc h VAL 105 Cb 0.90 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 3ipc h VAL 105 CO -0.14 0.03 0.59 0.15 0.02 0.00 0.00 177.57 178.22 3ipc h PHE 106 N 0.19 0.71 -0.29 1.57 3.57 -1.78 -1.98 116.94 118.93 3ipc h PHE 106 Ca 0.38 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.91 3ipc h PHE 106 Cb 1.23 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3ipc h PHE 106 CO -0.00 0.21 0.00 2.41 -2.23 0.00 0.00 178.31 178.70 3ipc n THR 107 N -4.56 1.02 -1.14 4.41 -1.04 -0.84 -4.63 114.28 107.49 3ipc n THR 107 Ca 0.19 -1.02 0.04 0.00 -2.04 0.00 0.00 64.05 61.22 3ipc n THR 107 Cb 0.59 0.49 0.23 0.00 -1.82 0.00 0.00 70.33 69.82 3ipc n THR 107 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ipc n GLU 108 N 0.32 2.49 -0.04 -2.82 -0.58 -0.75 -4.55 120.64 114.72 3ipc n GLU 108 Ca 0.10 -2.94 0.05 0.00 -0.42 0.00 0.00 57.16 53.95 3ipc n GLU 108 Cb 0.40 -1.83 0.06 0.00 -0.57 0.00 0.00 31.44 29.51 3ipc n GLU 108 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3ipc n ARG 109 N -0.76 0.93 -1.55 3.49 1.74 -1.25 -4.99 116.66 114.27 3ipc n ARG 109 Ca 0.26 -1.28 -0.07 0.00 -0.77 0.00 0.00 57.85 55.98 3ipc n ARG 109 Cb 0.94 -1.19 -0.02 0.00 -1.02 0.00 0.00 32.46 31.17 3ipc n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ipc n GLY 110 N 0.50 0.63 3.75 -0.13 0.00 -1.26 -5.01 105.19 103.67 3ipc n GLY 110 Ca 0.07 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 3ipc n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ipc s LEU 111 N -1.83 4.54 0.57 0.99 1.43 -1.26 -4.95 118.68 118.17 3ipc s LEU 111 Ca 0.00 1.66 0.36 0.00 -1.03 0.00 0.00 54.13 55.12 3ipc s LEU 111 Cb 0.00 -3.38 1.63 0.00 0.03 0.00 0.00 46.19 44.47 3ipc s LEU 111 CO 0.00 0.09 2.07 4.11 0.23 0.00 0.00 176.35 182.85 3ipc h TRP 112 N 4.96 0.00 -0.01 0.29 5.08 -1.95 -3.33 115.95 120.99 3ipc h TRP 112 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.52 3ipc h TRP 112 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 3ipc h TRP 112 CO 0.64 0.00 -0.14 0.27 -1.28 0.00 0.00 178.44 177.93 3ipc n ASN 113 N -3.05 1.76 -4.69 0.11 6.94 -1.26 -4.92 115.26 110.15 3ipc n ASN 113 Ca -0.00 -1.38 -0.37 0.00 -0.02 0.00 0.00 54.58 52.81 3ipc n ASN 113 Cb 0.24 0.24 -0.08 0.00 -2.36 0.00 0.00 39.78 37.82 3ipc n ASN 113 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3ipc s THR 114 N -1.39 5.31 0.07 5.53 -4.23 -1.25 -1.00 115.64 118.68 3ipc s THR 114 Ca 0.13 0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 61.06 3ipc s THR 114 Cb 0.11 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.31 3ipc s THR 114 CO 0.25 0.35 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.30 3ipc s PHE 115 N 0.86 0.60 0.07 3.99 0.08 -0.44 -4.28 117.98 118.88 3ipc s PHE 115 Ca 0.13 -1.09 0.01 0.00 0.12 0.00 0.00 56.93 56.10 3ipc s PHE 115 Cb -0.13 -0.42 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 3ipc s PHE 115 CO 0.04 -0.39 -0.06 1.03 -0.10 0.00 0.00 175.22 175.75 3ipc s ARG 116 N -3.94 0.69 0.00 0.44 0.52 -0.86 -0.97 118.95 114.83 3ipc s ARG 116 Ca 0.10 -1.16 0.19 0.00 -0.52 0.00 0.00 55.73 54.35 3ipc s ARG 116 Cb 0.08 -0.09 -0.12 0.00 0.52 0.00 0.00 34.95 35.33 3ipc s ARG 116 CO -0.08 -0.03 0.89 0.25 0.02 0.00 0.00 175.30 176.35 3ipc n THR 117 N 0.36 0.00 -3.14 0.02 -2.24 -0.26 -3.86 114.28 105.16 3ipc n THR 117 Ca -0.15 -0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.29 3ipc n THR 117 Cb 0.59 1.10 0.01 0.00 -2.10 0.00 0.00 70.33 69.93 3ipc n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ipc n GLY 119 N -1.85 -0.99 3.14 0.00 0.00 -1.26 -4.61 105.19 99.63 3ipc n GLY 119 Ca 0.08 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 3ipc n GLY 119 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ipc s ARG 120 N -1.76 0.75 0.32 1.61 1.70 -1.26 -4.47 118.95 115.85 3ipc s ARG 120 Ca 0.00 -1.29 0.26 0.00 -0.47 0.00 0.00 55.73 54.22 3ipc s ARG 120 Cb 0.00 -0.04 0.81 0.00 -0.57 0.00 0.00 34.95 35.15 3ipc s ARG 120 CO 0.00 -0.06 1.75 -0.44 -1.08 0.00 0.00 175.30 175.47 3ipc h ASP 121 N 3.03 0.00 -0.37 -2.89 3.32 -1.30 -1.42 116.42 116.80 3ipc h ASP 121 Ca -0.35 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.59 3ipc h ASP 121 Cb 1.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 3ipc h ASP 121 CO 0.65 0.00 -0.18 -2.24 -1.72 0.00 0.00 179.24 175.75 3ipc h ASP 122 N 0.00 0.86 0.04 6.45 2.03 -1.93 0.91 116.42 124.78 3ipc h ASP 122 Ca 0.00 -0.30 -0.00 0.00 -0.73 0.00 0.00 57.03 56.00 3ipc h ASP 122 Cb 0.69 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 3ipc h ASP 122 CO 0.00 1.02 -0.02 1.56 -1.03 0.00 0.00 179.24 180.77 3ipc h GLN 123 N 0.75 -0.05 -0.33 4.15 4.20 -1.75 -2.54 115.11 119.53 3ipc h GLN 123 Ca 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 3ipc h GLN 123 Cb 0.71 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 3ipc h GLN 123 CO 0.05 0.19 0.16 0.37 -0.67 0.00 0.00 178.83 178.93 3ipc h GLN 124 N -0.29 0.48 -0.10 1.46 4.15 -1.22 -2.42 115.11 117.17 3ipc h GLN 124 Ca -0.01 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.28 3ipc h GLN 124 Cb 0.27 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3ipc h GLN 124 CO 0.01 0.45 -0.22 0.78 -1.93 0.00 0.00 178.83 177.92 3ipc h GLY 125 N 0.40 0.17 0.95 2.39 0.00 -0.90 -1.26 103.07 104.83 3ipc h GLY 125 Ca 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 3ipc h GLY 125 CO -0.01 0.11 0.11 -1.33 0.00 0.00 0.00 176.54 175.41 3ipc h GLY 126 N 0.84 0.77 0.87 4.60 0.00 -1.01 0.29 103.07 109.43 3ipc h GLY 126 Ca 0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 3ipc h GLY 126 CO 0.03 0.45 0.05 -2.22 0.00 0.00 0.00 176.54 174.85 3ipc h ILE 127 N 0.59 1.23 -0.29 2.60 1.08 -1.16 -2.53 117.51 119.04 3ipc h ILE 127 Ca 0.14 -0.77 -0.02 0.00 -0.39 0.00 0.00 64.86 63.81 3ipc h ILE 127 Cb 0.32 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 3ipc h ILE 127 CO 0.00 0.25 0.08 0.00 -0.69 0.00 0.00 178.15 177.79 3ipc h ALA 128 N 0.87 0.37 -0.73 1.87 0.00 -1.10 -1.49 119.26 119.05 3ipc h ALA 128 Ca 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3ipc h ALA 128 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3ipc h ALA 128 CO 0.00 0.02 0.28 0.78 0.00 0.00 0.00 179.25 180.34 3ipc h GLY 129 N 0.30 1.17 1.06 0.00 0.00 -0.97 -1.51 103.07 103.12 3ipc h GLY 129 Ca 0.09 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 3ipc h GLY 129 CO -0.00 0.61 0.16 1.70 0.00 0.00 0.00 176.54 179.01 3ipc h LYS 130 N 1.05 1.13 -0.68 4.80 3.64 -1.37 -2.63 116.57 122.50 3ipc h LYS 130 Ca 0.24 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ipc h LYS 130 Cb 0.22 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3ipc h LYS 130 CO -0.02 1.00 0.44 -0.92 -2.27 0.00 0.00 179.45 177.69 3ipc h TYR 131 N 1.07 0.87 -0.56 1.91 5.03 -0.80 0.33 116.97 124.81 3ipc h TYR 131 Ca 0.22 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.57 3ipc h TYR 131 Cb 0.38 -0.29 -0.04 0.00 1.55 0.00 0.00 36.73 38.34 3ipc h TYR 131 CO 0.03 0.56 0.34 -0.07 -1.32 0.00 0.00 178.16 177.70 3ipc h LEU 132 N 0.92 0.55 -0.56 2.82 3.38 -1.06 -0.77 115.31 120.59 3ipc h LEU 132 Ca 0.25 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 3ipc h LEU 132 Cb -0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3ipc h LEU 132 CO -0.05 0.38 -0.46 0.00 0.09 0.00 0.00 178.44 178.40 3ipc h ALA 133 N 1.25 0.74 -0.23 1.53 0.00 -1.11 0.23 119.26 121.66 3ipc h ALA 133 Ca 0.23 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 3ipc h ALA 133 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ipc h ALA 133 CO -0.10 0.67 -0.41 -0.44 0.00 0.00 0.00 179.25 178.97 3ipc h ASP 134 N 0.51 0.58 0.00 0.00 3.32 -0.59 -3.24 116.42 117.01 3ipc h ASP 134 Ca 0.03 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.82 3ipc h ASP 134 Cb 0.99 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3ipc h ASP 134 CO 0.09 0.93 -1.29 1.41 -1.72 0.00 0.00 179.24 178.66 3ipc n HIS 135 N -4.03 0.00 -2.56 4.55 8.25 -0.32 -4.70 115.22 116.41 3ipc n HIS 135 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 3ipc n HIS 135 Cb 0.52 -0.17 0.04 0.00 1.12 0.00 0.00 29.99 31.49 3ipc n HIS 135 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ipc n PHE 136 N -1.73 1.78 -0.31 4.41 3.72 0.79 -4.93 117.46 121.19 3ipc n PHE 136 Ca -0.01 -2.22 0.16 0.00 -0.05 0.00 0.00 57.45 55.33 3ipc n PHE 136 Cb 0.21 -0.27 0.41 0.00 -0.94 0.00 0.00 39.48 38.89 3ipc n PHE 136 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3ipc h LYS 137 N 2.49 0.58 -0.18 -1.08 3.64 -1.57 -1.53 116.57 118.91 3ipc h LYS 137 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ipc h LYS 137 Cb 1.34 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3ipc h LYS 137 CO 0.40 0.38 0.00 -0.25 -2.27 0.00 0.00 179.45 177.71 3ipc n ASP 138 N -4.65 2.98 -4.79 4.20 10.43 -1.26 -4.80 116.55 118.66 3ipc n ASP 138 Ca 0.22 -1.90 -0.34 0.00 2.57 0.00 0.00 54.79 55.34 3ipc n ASP 138 Cb 0.66 -0.11 -0.00 0.00 1.84 0.00 0.00 41.12 43.51 3ipc n ASP 138 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ipc s ALA 139 N -1.56 2.75 -0.34 2.24 0.00 -0.58 -5.01 121.76 119.27 3ipc s ALA 139 Ca 0.29 0.58 -0.23 0.00 0.00 0.00 0.00 51.96 52.60 3ipc s ALA 139 Cb 0.19 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 20.03 3ipc s ALA 139 CO 0.27 -0.67 0.78 0.15 0.00 0.00 0.00 175.76 176.29 3ipc s LYS 140 N -3.60 3.85 -0.13 0.00 1.02 -1.26 -4.95 119.74 114.67 3ipc s LYS 140 Ca 0.67 0.44 -0.02 0.00 0.02 0.00 0.00 55.97 57.07 3ipc s LYS 140 Cb -0.18 -3.77 -0.03 0.00 -0.52 0.00 0.00 37.83 33.33 3ipc s LYS 140 CO 0.29 -0.76 -0.04 0.08 -0.92 0.00 0.00 175.35 174.00 3ipc s VAL 141 N 3.02 3.87 -0.18 3.17 1.01 -1.26 -1.29 120.40 128.74 3ipc s VAL 141 Ca 0.32 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 3ipc s VAL 141 Cb -0.14 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3ipc s VAL 141 CO 0.15 0.53 0.04 0.00 0.00 0.00 0.00 175.10 175.82 3ipc s ALA 142 N -0.01 3.33 -0.32 5.51 0.00 -0.14 -0.42 121.76 129.70 3ipc s ALA 142 Ca 0.01 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.10 3ipc s ALA 142 Cb -0.13 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.12 3ipc s ALA 142 CO 0.03 0.17 0.18 0.42 0.00 0.00 0.00 175.76 176.56 3ipc s ILE 143 N 0.38 4.76 -0.03 0.00 1.01 -0.08 -0.28 121.20 126.96 3ipc s ILE 143 Ca 0.02 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.33 3ipc s ILE 143 Cb -0.13 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 3ipc s ILE 143 CO 0.01 0.03 -0.24 -0.63 0.00 0.00 0.00 174.94 174.11 3ipc s ILE 144 N 1.63 1.88 0.19 2.92 -1.09 0.30 -1.20 121.20 125.83 3ipc s ILE 144 Ca 0.05 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.46 3ipc s ILE 144 Cb -0.17 -1.57 -0.04 0.00 -1.58 0.00 0.00 42.46 39.10 3ipc s ILE 144 CO 0.07 0.53 0.06 -1.38 -1.23 0.00 0.00 174.94 173.00 3ipc s HIS 145 N -0.46 1.18 -0.66 3.97 -3.43 -0.42 -0.34 115.29 115.13 3ipc s HIS 145 Ca 0.06 -1.19 0.14 0.00 -0.80 0.00 0.00 55.06 53.28 3ipc s HIS 145 Cb -0.10 -0.65 0.72 0.00 -1.43 0.00 0.00 32.58 31.12 3ipc s HIS 145 CO -0.00 -0.41 1.62 -0.40 -2.00 0.00 0.00 174.74 173.55 3ipc n ASP 146 N -0.26 5.00 -2.15 7.38 5.75 -0.58 -0.68 116.55 131.02 3ipc n ASP 146 Ca -0.03 -2.68 -0.19 0.00 -0.01 0.00 0.00 54.79 51.88 3ipc n ASP 146 Cb 0.65 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 40.08 3ipc n ASP 146 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3ipc n LYS 147 N 0.76 -1.68 -4.22 0.11 5.02 -1.22 -3.95 118.16 112.97 3ipc n LYS 147 Ca 0.25 0.99 -0.27 0.00 -2.02 0.00 0.00 58.31 57.25 3ipc n LYS 147 Cb 1.01 -5.55 -0.08 0.00 -0.02 0.00 0.00 35.03 30.38 3ipc n LYS 147 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ipc s THR 148 N -2.86 3.55 0.49 -0.18 -4.23 -1.26 -4.94 115.64 106.21 3ipc s THR 148 Ca 0.00 -1.42 0.18 0.00 -1.18 0.00 0.00 61.69 59.26 3ipc s THR 148 Cb 0.00 -2.75 0.33 0.00 1.34 0.00 0.00 72.50 71.42 3ipc s THR 148 CO 0.00 -0.05 2.04 -0.65 -0.54 0.00 0.00 174.62 175.42 3ipc h PRO 149 N 2.97 0.16 0.83 3.99 0.11 -1.97 0.17 132.00 138.26 3ipc h PRO 149 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3ipc h PRO 149 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ipc h PRO 149 CO 0.56 0.11 -0.44 -0.92 -0.21 0.00 0.00 178.00 177.09 3ipc h TYR 150 N 0.16 -1.16 -0.04 0.65 3.20 -1.96 -0.37 116.97 117.45 3ipc h TYR 150 Ca 0.17 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 3ipc h TYR 150 Cb 0.48 0.40 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 3ipc h TYR 150 CO -0.00 -0.69 -0.02 0.78 -1.64 0.00 0.00 178.16 176.59 3ipc h GLY 151 N -1.17 0.10 1.53 1.82 0.00 -1.65 -0.05 103.07 103.64 3ipc h GLY 151 Ca -0.11 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 3ipc h GLY 151 CO 0.16 0.08 -0.24 -1.61 0.00 0.00 0.00 176.54 174.93 3ipc h GLN 152 N -0.29 0.55 -0.34 4.80 4.15 -0.81 -0.82 115.11 122.34 3ipc h GLN 152 Ca 0.01 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 3ipc h GLN 152 Cb 0.45 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 3ipc h GLN 152 CO 0.01 0.74 0.19 0.78 -1.93 0.00 0.00 178.83 178.62 3ipc h GLY 153 N 1.01 0.50 0.87 2.39 0.00 -0.88 0.12 103.07 107.08 3ipc h GLY 153 Ca 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3ipc h GLY 153 CO 0.05 0.22 0.04 -2.00 0.00 0.00 0.00 176.54 174.85 3ipc h LEU 154 N 0.43 0.43 -0.96 3.11 5.85 -0.84 -1.18 115.31 122.14 3ipc h LEU 154 Ca 0.12 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.65 3ipc h LEU 154 Cb 0.05 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 3ipc h LEU 154 CO -0.02 0.58 0.62 0.00 -0.34 0.00 0.00 178.44 179.28 3ipc h ALA 155 N 0.86 1.34 -0.24 1.25 0.00 -0.97 -0.86 119.26 120.64 3ipc h ALA 155 Ca 0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3ipc h ALA 155 Cb 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ipc h ALA 155 CO 0.01 0.39 -0.46 -0.44 0.00 0.00 0.00 179.25 178.75 3ipc h ASP 156 N 1.11 0.68 -0.36 0.00 3.32 -0.48 0.64 116.42 121.33 3ipc h ASP 156 Ca 0.42 -0.33 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 3ipc h ASP 156 Cb 0.18 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3ipc h ASP 156 CO -0.18 1.04 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.97 3ipc h GLU 157 N 0.50 0.69 -0.57 3.56 4.39 -0.87 -1.37 114.58 120.91 3ipc h GLU 157 Ca 0.03 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 3ipc h GLU 157 Cb 0.99 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 3ipc h GLU 157 CO 0.09 0.84 0.29 1.15 -1.16 0.00 0.00 179.01 180.22 3ipc h THR 158 N 0.49 1.20 -0.19 1.13 2.02 -1.06 -2.18 112.91 114.32 3ipc h THR 158 Ca 0.09 -0.54 0.03 0.00 0.77 0.00 0.00 66.41 66.76 3ipc h THR 158 Cb 0.58 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3ipc h THR 158 CO 0.03 0.22 0.01 0.50 0.37 0.00 0.00 175.52 176.66 3ipc h LYS 159 N 0.77 0.08 -0.40 6.66 3.64 -0.76 0.12 116.57 126.69 3ipc h LYS 159 Ca 0.20 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 3ipc h LYS 159 Cb 0.09 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 3ipc h LYS 159 CO -0.03 0.05 0.08 -0.22 -2.27 0.00 0.00 179.45 177.06 3ipc h LYS 160 N 0.08 0.20 -0.35 1.90 3.64 -1.04 0.10 116.57 121.11 3ipc h LYS 160 Ca 0.09 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 3ipc h LYS 160 Cb 0.10 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3ipc h LYS 160 CO -0.14 0.14 -0.36 0.00 -2.27 0.00 0.00 179.45 176.82 3ipc h ALA 161 N 1.30 0.51 -0.19 5.00 0.00 -1.09 -1.94 119.26 122.85 3ipc h ALA 161 Ca 0.19 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3ipc h ALA 161 Cb 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ipc h ALA 161 CO -0.25 0.59 0.05 0.00 0.00 0.00 0.00 179.25 179.64 3ipc h ALA 162 N 0.74 0.25 -0.63 0.00 0.00 -0.46 -2.27 119.26 116.88 3ipc h ALA 162 Ca 0.05 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ipc h ALA 162 Cb 0.95 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3ipc h ALA 162 CO 0.09 -0.12 0.34 -0.91 0.00 0.00 0.00 179.25 178.65 3ipc h ASN 163 N 0.12 0.51 0.22 0.00 2.35 -0.64 -0.46 115.58 117.68 3ipc h ASN 163 Ca 0.06 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 3ipc h ASN 163 Cb 0.25 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3ipc h ASN 163 CO -0.00 0.33 -0.20 0.00 -1.65 0.00 0.00 177.43 175.91 3ipc h ALA 164 N 1.33 1.63 -0.31 -0.83 0.00 -1.23 -2.11 119.26 117.75 3ipc h ALA 164 Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ipc h ALA 164 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ipc h ALA 164 CO -0.18 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3ipc n ALA 165 N -2.48 2.47 0.00 0.00 0.00 -0.73 -4.93 120.51 114.84 3ipc n ALA 165 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.70 3ipc n ALA 165 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3ipc n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ipc n GLY 166 N 1.25 1.09 3.39 0.00 0.00 -0.77 -4.87 105.19 105.29 3ipc n GLY 166 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3ipc n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ipc s VAL 167 N -2.00 4.08 -0.27 1.61 1.01 -0.26 -4.99 120.40 119.58 3ipc s VAL 167 Ca 0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 3ipc s VAL 167 Cb 0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 3ipc s VAL 167 CO 0.00 0.24 0.09 -0.89 0.00 0.00 0.00 175.10 174.55 3ipc s THR 168 N 1.56 4.33 0.61 3.92 2.01 -1.26 -2.84 115.64 123.97 3ipc s THR 168 Ca 0.05 -0.32 -0.18 0.00 0.31 0.00 0.00 61.69 61.55 3ipc s THR 168 Cb -0.16 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 3ipc s THR 168 CO 0.02 0.23 1.18 -1.83 -0.69 0.00 0.00 174.62 173.53 3ipc s GLU 169 N 1.60 2.90 0.08 4.92 1.03 -1.26 -4.71 118.70 123.26 3ipc s GLU 169 Ca 0.05 1.70 0.23 0.00 0.03 0.00 0.00 54.97 56.98 3ipc s GLU 169 Cb -0.16 -1.93 -0.01 0.00 -0.80 0.00 0.00 34.13 31.23 3ipc s GLU 169 CO 0.04 -1.23 0.96 1.33 -1.33 0.00 0.00 175.26 175.04 3ipc n VAL 170 N -1.83 0.25 -3.87 1.83 0.24 0.43 -4.92 118.33 110.47 3ipc n VAL 170 Ca 0.13 -0.35 -0.11 0.00 -2.04 0.00 0.00 64.34 61.97 3ipc n VAL 170 Cb 0.50 0.05 -0.12 0.00 -1.47 0.00 0.00 33.84 32.81 3ipc n VAL 170 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3ipc s MET 171 N -3.28 0.28 -0.09 7.34 -1.94 -1.20 -5.03 119.30 115.38 3ipc s MET 171 Ca 0.01 -0.17 -0.03 0.00 -1.71 0.00 0.00 55.69 53.80 3ipc s MET 171 Cb 0.13 0.12 0.04 0.00 2.01 0.00 0.00 34.83 37.13 3ipc s MET 171 CO 0.81 -0.05 0.06 -0.47 -0.01 0.00 0.00 175.02 175.36 3ipc s TYR 172 N -0.69 0.25 -0.02 -0.03 5.04 -1.26 -0.90 117.35 119.74 3ipc s TYR 172 Ca -0.08 -0.05 -0.05 0.00 -2.44 0.00 0.00 57.07 54.46 3ipc s TYR 172 Cb -0.05 -0.63 0.01 0.00 0.35 0.00 0.00 41.96 41.64 3ipc s TYR 172 CO 0.00 -0.33 0.11 -1.21 -1.34 0.00 0.00 175.55 172.78 3ipc s GLU 173 N 2.11 0.27 0.01 4.97 0.41 -0.34 -5.01 118.70 121.12 3ipc s GLU 173 Ca 0.04 -0.09 0.02 0.00 -0.41 0.00 0.00 54.97 54.52 3ipc s GLU 173 Cb -0.14 0.12 -0.04 0.00 -1.78 0.00 0.00 34.13 32.30 3ipc s GLU 173 CO -0.05 -0.05 -0.02 0.20 -0.49 0.00 0.00 175.26 174.84 3ipc s GLY 174 N -0.56 1.84 0.23 -1.39 0.00 -1.26 -1.30 107.32 104.87 3ipc s GLY 174 Ca -0.06 -0.98 0.08 0.00 0.00 0.00 0.00 44.72 43.75 3ipc s GLY 174 CO 0.00 -0.86 -0.14 -1.34 0.00 0.00 0.00 173.10 170.77 3ipc s VAL 175 N -1.07 1.81 -0.05 1.40 -7.23 0.15 -4.93 120.40 110.47 3ipc s VAL 175 Ca 0.19 -2.22 -0.19 0.00 -1.81 0.00 0.00 61.98 57.95 3ipc s VAL 175 Cb -0.11 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 3ipc s VAL 175 CO 0.10 -0.52 0.53 0.20 -0.31 0.00 0.00 175.10 175.10 3ipc s ASN 176 N -3.36 6.84 0.19 4.85 0.01 -1.26 -3.45 114.94 118.76 3ipc s ASN 176 Ca 0.25 1.01 -0.33 0.00 -0.71 0.00 0.00 52.86 53.07 3ipc s ASN 176 Cb -0.00 -2.32 -0.14 0.00 0.41 0.00 0.00 41.25 39.19 3ipc s ASN 176 CO 0.09 0.08 1.47 0.52 -1.51 0.00 0.00 177.10 177.74 3ipc n VAL 177 N 3.04 0.46 0.00 1.60 0.31 -1.25 -1.53 118.33 120.95 3ipc n VAL 177 Ca -0.07 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3ipc n VAL 177 Cb 0.51 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 3ipc n VAL 177 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ipc n GLY 178 N 2.74 3.10 3.78 2.92 0.00 -1.26 -5.06 105.19 111.40 3ipc n GLY 178 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3ipc n GLY 178 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ipc s ASP 179 N -1.13 7.01 0.00 1.61 1.11 -0.59 -4.96 116.67 119.72 3ipc s ASP 179 Ca 0.00 2.04 0.00 0.00 0.18 0.00 0.00 52.55 54.77 3ipc s ASP 179 Cb 0.00 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.40 3ipc s ASP 179 CO 0.00 -0.31 0.02 0.29 1.18 0.00 0.00 175.17 176.35 3ipc n LYS 180 N 0.37 3.01 -3.46 8.23 5.02 -1.26 -4.94 118.16 125.12 3ipc n LYS 180 Ca 0.03 -0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 3ipc n LYS 180 Cb 0.49 -0.29 -0.09 0.00 -0.02 0.00 0.00 35.03 35.12 3ipc n LYS 180 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ipc s ASP 181 N -0.44 6.02 -0.08 4.39 -1.08 -1.26 -4.91 116.67 119.32 3ipc s ASP 181 Ca 0.00 -1.19 0.16 0.00 -0.52 0.00 0.00 52.55 51.00 3ipc s ASP 181 Cb 0.00 -2.13 0.54 0.00 -1.46 0.00 0.00 42.92 39.87 3ipc s ASP 181 CO 0.00 -0.55 1.46 0.49 0.52 0.00 0.00 175.17 177.09 3ipc n PHE 182 N 5.13 0.99 -0.14 -5.34 3.72 -1.26 -4.69 117.46 115.88 3ipc n PHE 182 Ca -0.12 -0.62 -0.04 0.00 -0.05 0.00 0.00 57.45 56.62 3ipc n PHE 182 Cb 0.45 -0.16 0.04 0.00 -0.94 0.00 0.00 39.48 38.87 3ipc n PHE 182 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3ipc h SER 183 N 2.96 0.09 -0.41 4.37 0.02 -1.97 0.79 113.55 119.40 3ipc h SER 183 Ca 0.00 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3ipc h SER 183 Cb 1.17 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 3ipc h SER 183 CO 0.13 0.08 0.14 0.00 -1.14 0.00 0.00 176.83 176.04 3ipc h ALA 184 N 1.31 0.54 -0.51 3.77 0.00 -1.99 0.49 119.26 122.86 3ipc h ALA 184 Ca 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ipc h ALA 184 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ipc h ALA 184 CO -0.25 0.17 0.17 1.25 0.00 0.00 0.00 179.25 180.60 3ipc h LEU 185 N 0.52 0.74 -0.74 0.00 5.85 -1.81 -0.44 115.31 119.42 3ipc h LEU 185 Ca 0.13 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3ipc h LEU 185 Cb 0.24 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3ipc h LEU 185 CO -0.01 0.74 0.35 0.40 -0.34 0.00 0.00 178.44 179.58 3ipc h ILE 186 N 0.70 1.24 -0.75 4.05 2.04 -0.64 -0.06 117.51 124.09 3ipc h ILE 186 Ca 0.17 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 3ipc h ILE 186 Cb 0.26 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3ipc h ILE 186 CO -0.01 0.29 0.26 0.28 0.00 0.00 0.00 178.15 178.97 3ipc h SER 187 N 1.05 1.06 -0.63 1.72 0.02 -0.58 -0.27 113.55 115.92 3ipc h SER 187 Ca 0.25 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3ipc h SER 187 Cb 0.14 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3ipc h SER 187 CO -0.03 0.97 0.25 0.50 -1.14 0.00 0.00 176.83 177.38 3ipc h LYS 188 N 1.10 0.94 -0.65 3.45 3.64 -0.55 -0.85 116.57 123.66 3ipc h LYS 188 Ca 0.25 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 3ipc h LYS 188 Cb 0.27 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 3ipc h LYS 188 CO -0.01 0.80 0.12 0.52 -2.27 0.00 0.00 179.45 178.60 3ipc h MET 189 N 0.89 1.06 -0.44 1.90 2.86 -0.62 -2.00 114.93 118.58 3ipc h MET 189 Ca 0.21 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3ipc h MET 189 Cb 0.20 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3ipc h MET 189 CO -0.02 0.98 0.15 -0.22 1.06 0.00 0.00 176.91 178.86 3ipc h LYS 190 N 0.98 0.67 -0.96 1.72 3.64 -0.80 -1.33 116.57 120.49 3ipc h LYS 190 Ca 0.20 -0.13 0.11 0.00 -1.27 0.00 0.00 60.65 59.55 3ipc h LYS 190 Cb 0.42 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.06 3ipc h LYS 190 CO 0.01 0.64 0.62 0.93 -2.27 0.00 0.00 179.45 179.37 3ipc h GLU 191 N 0.57 0.94 -0.00 1.90 5.08 -1.02 -1.84 114.58 120.20 3ipc h GLU 191 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3ipc h GLU 191 Cb 0.23 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3ipc h GLU 191 CO -0.01 0.62 -0.03 0.00 -1.00 0.00 0.00 179.01 178.59 3ipc n ALA 192 N -2.37 2.67 -1.39 3.43 0.00 -0.76 -4.91 120.51 117.18 3ipc n ALA 192 Ca 0.17 -0.26 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 3ipc n ALA 192 Cb 0.33 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 3ipc n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ipc n GLY 193 N 1.14 0.63 3.74 0.00 0.00 -0.69 -4.98 105.19 105.03 3ipc n GLY 193 Ca 0.19 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3ipc n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ipc s VAL 194 N -2.21 2.10 0.00 1.61 1.01 -0.56 -4.60 120.40 117.74 3ipc s VAL 194 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3ipc s VAL 194 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3ipc s VAL 194 CO 0.00 0.01 0.01 -1.54 0.00 0.00 0.00 175.10 173.58 3ipc n SER 195 N 2.95 0.02 -3.90 3.32 3.41 -0.42 -4.62 113.62 114.39 3ipc n SER 195 Ca 0.11 -0.48 -0.22 0.00 -0.26 0.00 0.00 58.87 58.03 3ipc n SER 195 Cb 0.37 0.92 -0.17 0.00 -0.26 0.00 0.00 64.21 65.07 3ipc n SER 195 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ipc s ILE 196 N -0.92 0.66 -0.31 -1.33 -1.09 -1.11 -1.31 121.20 115.80 3ipc s ILE 196 Ca 0.00 -0.16 -0.06 0.00 -2.23 0.00 0.00 60.65 58.20 3ipc s ILE 196 Cb 0.00 -0.69 0.03 0.00 -1.58 0.00 0.00 42.46 40.22 3ipc s ILE 196 CO 0.00 0.27 0.07 -0.63 -1.23 0.00 0.00 174.94 173.42 3ipc s ILE 197 N 1.13 3.71 -0.21 2.92 1.01 -0.08 -0.97 121.20 128.72 3ipc s ILE 197 Ca -0.07 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.42 3ipc s ILE 197 Cb -0.14 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 3ipc s ILE 197 CO -0.01 -0.03 0.58 -0.47 0.00 0.00 0.00 174.94 175.00 3ipc s TYR 198 N 1.42 3.36 -0.27 3.97 6.14 0.61 -0.42 117.35 132.17 3ipc s TYR 198 Ca -0.00 0.84 -0.04 0.00 0.64 0.00 0.00 57.07 58.51 3ipc s TYR 198 Cb -0.18 -2.74 0.02 0.00 0.42 0.00 0.00 41.96 39.47 3ipc s TYR 198 CO 0.02 -0.16 0.00 -0.46 0.64 0.00 0.00 175.55 175.59 3ipc s TRP 199 N 1.85 3.10 -0.77 4.97 -0.11 0.38 -0.53 118.94 127.82 3ipc s TRP 199 Ca 0.26 -1.27 -0.16 0.00 1.22 0.00 0.00 56.10 56.15 3ipc s TRP 199 Cb -0.16 -2.15 0.17 0.00 -1.50 0.00 0.00 33.47 29.83 3ipc s TRP 199 CO 0.10 -0.65 0.79 0.20 -4.62 0.00 0.00 176.95 172.77 3ipc s GLY 200 N 1.41 2.29 0.00 5.86 0.00 0.54 -4.18 107.32 113.24 3ipc s GLY 200 Ca 0.01 -2.92 0.00 0.00 0.00 0.00 0.00 44.72 41.81 3ipc s GLY 200 CO -0.01 1.46 0.00 0.61 0.00 0.00 0.00 173.10 175.16 3ipc n GLY 201 N 4.67 -0.61 3.95 0.20 0.00 -1.26 -1.53 105.19 110.62 3ipc n GLY 201 Ca 0.08 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 3ipc n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ipc s LEU 202 N 0.00 2.78 0.31 0.99 1.43 -1.26 -4.29 118.68 118.63 3ipc s LEU 202 Ca 0.00 -1.15 0.13 0.00 -1.03 0.00 0.00 54.13 52.08 3ipc s LEU 202 Cb 0.00 -1.27 0.47 0.00 0.03 0.00 0.00 46.19 45.42 3ipc s LEU 202 CO 0.00 -1.24 1.66 1.12 0.23 0.00 0.00 176.35 178.13 3ipc h HIS 203 N 0.51 0.00 0.41 0.29 2.07 -1.78 -2.67 115.15 113.98 3ipc h HIS 203 Ca -0.34 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.16 3ipc h HIS 203 Cb 1.30 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.28 3ipc h HIS 203 CO 0.82 0.54 -0.20 1.15 -3.07 0.00 0.00 177.93 177.17 3ipc h THR 204 N 0.00 0.57 -0.48 6.12 2.02 -1.90 0.55 112.91 119.79 3ipc h THR 204 Ca -0.01 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 3ipc h THR 204 Cb 1.01 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3ipc h THR 204 CO 0.07 0.06 -0.01 -0.33 0.37 0.00 0.00 175.52 175.69 3ipc h GLU 205 N -0.77 0.80 -0.26 6.66 3.07 -1.92 -2.07 114.58 120.09 3ipc h GLU 205 Ca -0.06 -0.22 0.01 0.00 -0.50 0.00 0.00 59.36 58.59 3ipc h GLU 205 Cb 0.53 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 3ipc h GLU 205 CO 0.09 0.81 0.16 0.00 -1.40 0.00 0.00 179.01 178.68 3ipc h ALA 206 N 1.24 0.33 -0.80 3.43 0.00 -1.32 -0.37 119.26 121.77 3ipc h ALA 206 Ca 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3ipc h ALA 206 Cb 0.46 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3ipc h ALA 206 CO 0.02 -0.22 0.36 0.78 0.00 0.00 0.00 179.25 180.20 3ipc h GLY 207 N 0.33 1.25 0.98 0.00 0.00 -0.70 -0.70 103.07 104.23 3ipc h GLY 207 Ca 0.10 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 3ipc h GLY 207 CO -0.03 0.60 0.13 1.41 0.00 0.00 0.00 176.54 178.64 3ipc h LEU 208 N 1.15 0.78 -0.31 3.11 3.38 -1.08 -1.49 115.31 120.86 3ipc h LEU 208 Ca 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3ipc h LEU 208 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3ipc h LEU 208 CO -0.03 0.81 0.13 0.40 0.09 0.00 0.00 178.44 179.84 3ipc h ILE 209 N 0.72 1.18 -0.18 1.22 2.04 -0.71 -0.85 117.51 120.93 3ipc h ILE 209 Ca 0.16 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3ipc h ILE 209 Cb 0.33 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3ipc h ILE 209 CO 0.00 0.19 0.09 0.40 0.00 0.00 0.00 178.15 178.83 3ipc h ILE 210 N 0.36 1.00 -0.26 -0.67 2.04 -1.04 0.68 117.51 119.61 3ipc h ILE 210 Ca 0.10 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 3ipc h ILE 210 Cb 0.18 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3ipc h ILE 210 CO -0.01 0.03 0.07 -0.09 0.00 0.00 0.00 178.15 178.16 3ipc h ARG 211 N 0.19 0.41 -0.40 2.37 2.43 -1.20 -2.63 114.38 115.54 3ipc h ARG 211 Ca 0.07 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 3ipc h ARG 211 Cb 0.02 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3ipc h ARG 211 CO -0.05 0.49 -0.25 1.96 -1.51 0.00 0.00 179.97 180.61 3ipc h GLN 212 N 0.25 0.82 -0.52 0.20 4.20 -1.01 -2.19 115.11 116.86 3ipc h GLN 212 Ca 0.08 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.45 3ipc h GLN 212 Cb 0.26 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3ipc h GLN 212 CO -0.00 0.98 0.34 0.00 -0.67 0.00 0.00 178.83 179.48 3ipc h ALA 213 N 1.01 0.66 -0.58 3.87 0.00 -0.81 -0.04 119.26 123.37 3ipc h ALA 213 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3ipc h ALA 213 Cb 0.78 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3ipc h ALA 213 CO 0.06 0.10 0.26 0.00 0.00 0.00 0.00 179.25 179.67 3ipc h ALA 214 N 1.20 0.75 -0.12 0.00 0.00 -1.33 -0.50 119.26 119.26 3ipc h ALA 214 Ca 0.19 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3ipc h ALA 214 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3ipc h ALA 214 CO -0.05 0.34 -0.33 0.22 0.00 0.00 0.00 179.25 179.43 3ipc h ASP 215 N 0.80 0.25 -0.40 0.00 3.58 -1.02 -3.01 116.42 116.62 3ipc h ASP 215 Ca 0.20 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.56 3ipc h ASP 215 Cb 0.15 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.13 3ipc h ASP 215 CO -0.02 0.58 0.00 0.00 -2.88 0.00 0.00 179.24 176.92 3ipc n GLN 216 N -4.09 2.28 -1.56 0.28 6.02 -0.06 -4.95 117.38 115.30 3ipc n GLN 216 Ca -0.01 -1.95 -0.00 0.00 -0.01 0.00 0.00 57.00 55.03 3ipc n GLN 216 Cb 0.42 -1.47 -0.00 0.00 1.02 0.00 0.00 30.24 30.21 3ipc n GLN 216 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ipc n GLY 217 N 1.40 0.38 3.51 1.08 0.00 -0.82 -5.03 105.19 105.71 3ipc n GLY 217 Ca 0.19 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 3ipc n GLY 217 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ipc s LEU 218 N -0.03 4.60 -0.87 0.99 2.96 -0.26 -5.01 118.68 121.06 3ipc s LEU 218 Ca 0.00 -0.40 -0.23 0.00 -0.22 0.00 0.00 54.13 53.29 3ipc s LEU 218 Cb 0.00 -2.58 0.07 0.00 0.50 0.00 0.00 46.19 44.19 3ipc s LEU 218 CO 0.00 -0.65 1.24 -0.75 -1.32 0.00 0.00 176.35 174.88 3ipc s LYS 219 N 2.49 3.42 -0.05 1.98 2.20 -1.26 -4.36 119.74 124.16 3ipc s LYS 219 Ca 0.18 -1.06 -0.07 0.00 -0.36 0.00 0.00 55.97 54.66 3ipc s LYS 219 Cb -0.15 -4.80 0.01 0.00 -1.51 0.00 0.00 37.83 31.38 3ipc s LYS 219 CO 0.16 -2.01 0.18 0.00 -0.36 0.00 0.00 175.35 173.31 3ipc s ALA 220 N 4.37 -0.43 -0.13 3.13 0.00 -1.26 -4.49 121.76 122.94 3ipc s ALA 220 Ca 0.36 0.33 -0.16 0.00 0.00 0.00 0.00 51.96 52.50 3ipc s ALA 220 Cb -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 3ipc s ALA 220 CO -0.01 -0.13 0.38 0.21 0.00 0.00 0.00 175.76 176.21 3ipc s LYS 221 N -0.36 4.27 -0.03 0.00 2.20 -0.42 -4.89 119.74 120.50 3ipc s LYS 221 Ca -0.05 0.28 -0.20 0.00 -0.36 0.00 0.00 55.97 55.64 3ipc s LYS 221 Cb -0.03 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 3ipc s LYS 221 CO 0.01 0.23 0.59 -1.17 -0.36 0.00 0.00 175.35 174.65 3ipc s LEU 222 N 0.44 4.38 -0.10 5.43 0.20 -1.26 -0.90 118.68 126.87 3ipc s LEU 222 Ca 0.21 1.10 0.03 0.00 0.69 0.00 0.00 54.13 56.17 3ipc s LEU 222 Cb -0.14 -2.91 0.01 0.00 -0.43 0.00 0.00 46.19 42.72 3ipc s LEU 222 CO 0.07 0.05 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.30 3ipc s VAL 223 N 0.09 1.75 0.00 1.68 1.01 0.44 -1.42 120.40 123.96 3ipc s VAL 223 Ca 0.31 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3ipc s VAL 223 Cb -0.18 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3ipc s VAL 223 CO 0.16 0.49 0.00 -0.24 0.00 0.00 0.00 175.10 175.51 3ipc n SER 224 N 3.73 0.00 0.00 3.32 2.88 0.00 -0.47 113.62 123.08 3ipc n SER 224 Ca -0.20 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 3ipc n SER 224 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3ipc n SER 224 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ipc n GLY 225 N 0.00 5.14 0.16 0.46 0.00 -1.26 -1.92 105.19 107.76 3ipc n GLY 225 Ca 0.00 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.48 3ipc n GLY 225 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ipc h ASP 226 N 0.00 0.00 0.45 1.61 3.04 -1.79 -2.85 116.42 116.88 3ipc h ASP 226 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3ipc h ASP 226 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3ipc h ASP 226 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 3ipc n GLY 227 N -0.59 -1.09 0.81 7.15 0.00 -1.26 -3.09 105.19 107.12 3ipc n GLY 227 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.20 3ipc n GLY 227 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ipc n ILE 228 N -2.15 0.95 -1.87 -0.61 -5.35 -1.07 -2.12 119.36 107.14 3ipc n ILE 228 Ca 0.01 -0.98 -0.42 0.00 -0.27 0.00 0.00 62.75 61.09 3ipc n ILE 228 Cb 0.15 0.54 -0.00 0.00 -1.74 0.00 0.00 39.64 38.59 3ipc n ILE 228 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3ipc n VAL 229 N 0.80 3.78 -3.78 7.28 0.24 -1.18 -4.71 118.33 120.76 3ipc n VAL 229 Ca 0.15 -3.39 -0.13 0.00 -2.04 0.00 0.00 64.34 58.93 3ipc n VAL 229 Cb 0.47 -2.53 -0.11 0.00 -1.47 0.00 0.00 33.84 30.20 3ipc n VAL 229 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3ipc s SER 230 N 2.44 -0.25 0.55 -1.34 0.15 -1.26 -4.73 113.70 109.26 3ipc s SER 230 Ca 0.46 0.43 0.38 0.00 0.70 0.00 0.00 55.95 57.92 3ipc s SER 230 Cb 0.13 0.51 1.57 0.00 -1.71 0.00 0.00 66.02 66.51 3ipc s SER 230 CO -0.06 -0.18 1.77 -1.13 1.20 0.00 0.00 173.24 174.84 3ipc h ASN 231 N 5.26 0.00 0.31 5.45 -0.73 -1.91 -0.82 115.58 123.14 3ipc h ASN 231 Ca -0.27 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 57.88 3ipc h ASN 231 Cb 1.19 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.78 3ipc h ASN 231 CO 0.35 0.00 -0.08 -0.33 -0.37 0.00 0.00 177.43 176.99 3ipc h GLU 232 N 0.00 0.00 -0.27 6.67 4.39 -1.95 -1.27 114.58 122.15 3ipc h GLU 232 Ca 0.60 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.33 3ipc h GLU 232 Cb 2.43 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 31.05 3ipc h GLU 232 CO -0.01 0.08 0.09 1.25 -1.16 0.00 0.00 179.01 179.27 3ipc h LEU 233 N 0.00 0.10 -0.98 1.33 5.85 -1.42 -1.64 115.31 118.56 3ipc h LEU 233 Ca -0.00 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3ipc h LEU 233 Cb 0.26 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3ipc h LEU 233 CO 0.01 0.09 0.14 0.00 -0.34 0.00 0.00 178.44 178.34 3ipc h ALA 234 N 1.17 1.17 -0.49 1.25 0.00 -1.41 -0.33 119.26 120.63 3ipc h ALA 234 Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3ipc h ALA 234 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ipc h ALA 234 CO -0.12 0.57 0.14 0.77 0.00 0.00 0.00 179.25 180.60 3ipc h SER 235 N 0.85 0.67 0.07 0.00 0.02 -0.98 0.97 113.55 115.15 3ipc h SER 235 Ca 0.18 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 3ipc h SER 235 Cb 0.31 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.69 3ipc h SER 235 CO -0.00 0.65 -0.41 0.40 -1.14 0.00 0.00 176.83 176.33 3ipc h ILE 236 N 0.71 1.65 0.00 3.27 2.04 -1.04 -3.37 117.51 120.77 3ipc h ILE 236 Ca 0.16 -2.42 -0.15 0.00 1.00 0.00 0.00 64.86 63.46 3ipc h ILE 236 Cb 0.24 3.27 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 3ipc h ILE 236 CO -0.01 0.66 -0.70 0.00 0.00 0.00 0.00 178.15 178.11 3ipc h ALA 237 N 0.06 0.72 -0.44 1.87 0.00 -1.00 -3.46 119.26 117.00 3ipc h ALA 237 Ca -0.07 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3ipc h ALA 237 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ipc h ALA 237 CO 0.08 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.61 3ipc n GLY 238 N 0.77 -0.32 0.15 0.00 0.00 0.33 -3.79 105.19 102.33 3ipc n GLY 238 Ca -0.00 -1.07 0.12 0.00 0.00 0.00 0.00 46.02 45.07 3ipc n GLY 238 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ipc h ASP 239 N 1.22 0.00 0.23 1.61 3.32 -1.96 -1.58 116.42 119.26 3ipc h ASP 239 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ipc h ASP 239 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ipc h ASP 239 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3ipc h ALA 240 N 2.17 1.00 0.00 3.45 0.00 -1.94 -2.26 119.26 121.68 3ipc h ALA 240 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ipc h ALA 240 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ipc h ALA 240 CO 0.00 0.00 -0.03 -0.24 0.00 0.00 0.00 179.25 178.98 3ipc h VAL 241 N 0.00 0.56 -2.18 0.00 3.04 -1.48 -3.45 116.25 112.75 3ipc h VAL 241 Ca 0.00 -0.11 -0.60 0.00 -1.01 0.00 0.00 66.70 64.98 3ipc h VAL 241 Cb 0.12 1.07 0.06 0.00 -2.01 0.00 0.00 31.29 30.53 3ipc h VAL 241 CO 0.00 0.03 0.71 1.21 -1.01 0.00 0.00 177.57 178.51 3ipc n GLU 242 N -3.84 1.93 0.00 4.17 2.13 -0.85 -1.57 120.64 122.61 3ipc n GLU 242 Ca -0.03 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.49 3ipc n GLU 242 Cb 0.11 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.39 3ipc n GLU 242 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ipc n GLY 243 N 3.15 1.63 3.65 8.31 0.00 -0.19 -5.00 105.19 116.74 3ipc n GLY 243 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3ipc n GLY 243 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ipc n THR 244 N -2.00 2.86 -4.42 2.61 -1.04 -0.61 -4.67 114.28 107.02 3ipc n THR 244 Ca 0.00 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.22 3ipc n THR 244 Cb 0.00 -1.33 -0.13 0.00 -1.82 0.00 0.00 70.33 67.05 3ipc n THR 244 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3ipc s LEU 245 N -1.46 2.33 0.01 -4.42 1.43 -0.50 -0.68 118.68 115.39 3ipc s LEU 245 Ca 0.66 -0.73 -0.26 0.00 -1.03 0.00 0.00 54.13 52.77 3ipc s LEU 245 Cb -0.50 -1.24 0.06 0.00 0.03 0.00 0.00 46.19 44.54 3ipc s LEU 245 CO 0.54 0.18 0.59 0.54 0.23 0.00 0.00 176.35 178.44 3ipc s ASN 246 N -2.02 -0.54 0.34 2.29 4.22 -0.38 -0.82 114.94 118.04 3ipc s ASN 246 Ca 0.14 0.40 -0.16 0.00 -2.14 0.00 0.00 52.86 51.10 3ipc s ASN 246 Cb -0.10 0.51 -0.09 0.00 1.28 0.00 0.00 41.25 42.85 3ipc s ASN 246 CO 0.06 -0.68 0.77 0.42 -2.04 0.00 0.00 177.10 175.63 3ipc s THR 247 N -1.93 4.64 0.14 0.54 -4.23 -0.81 -0.16 115.64 113.82 3ipc s THR 247 Ca -0.08 1.03 -0.24 0.00 -1.18 0.00 0.00 61.69 61.22 3ipc s THR 247 Cb -0.01 -3.61 0.07 0.00 1.34 0.00 0.00 72.50 70.29 3ipc s THR 247 CO 0.03 -0.20 0.74 0.12 -0.54 0.00 0.00 174.62 174.77 3ipc s PHE 248 N -2.00 -0.38 0.37 3.99 5.36 -0.90 -2.20 117.98 122.21 3ipc s PHE 248 Ca 0.55 0.14 -0.06 0.00 -0.96 0.00 0.00 56.93 56.60 3ipc s PHE 248 Cb -0.10 0.59 0.09 0.00 -0.34 0.00 0.00 43.02 43.26 3ipc s PHE 248 CO 0.17 -0.83 0.33 0.41 -1.46 0.00 0.00 175.22 173.84 3ipc n GLY 249 N -0.37 -2.51 3.57 13.12 0.00 -1.26 -1.31 105.19 116.43 3ipc n GLY 249 Ca -0.11 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 3ipc n GLY 249 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ipc n PRO 250 N -2.49 1.20 -2.80 1.61 -0.02 -1.26 -4.73 135.00 126.51 3ipc n PRO 250 Ca 0.05 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 3ipc n PRO 250 Cb 0.18 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 3ipc n PRO 250 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ipc s ASP 251 N -0.69 6.29 0.30 2.55 -1.08 -1.26 -4.91 116.67 117.86 3ipc s ASP 251 Ca 0.61 -0.48 0.25 0.00 -0.52 0.00 0.00 52.55 52.41 3ipc s ASP 251 Cb -0.64 -2.45 1.02 0.00 -1.46 0.00 0.00 42.92 39.39 3ipc s ASP 251 CO 0.58 -1.36 1.75 1.55 0.52 0.00 0.00 175.17 178.22 3ipc h PRO 252 N 9.46 0.00 0.00 4.34 0.14 -1.91 -2.15 132.00 141.88 3ipc h PRO 252 Ca -0.27 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.87 3ipc h PRO 252 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.21 3ipc h PRO 252 CO 1.14 0.00 0.00 1.79 0.14 0.00 0.00 178.00 181.07 3ipc h THR 253 N 0.00 0.00 -0.00 1.56 1.35 -1.91 -2.55 112.91 111.36 3ipc h THR 253 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3ipc h THR 253 Cb 0.41 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3ipc h THR 253 CO 0.00 0.00 -0.58 0.18 -0.25 0.00 0.00 175.52 174.87 3ipc n LEU 254 N -2.35 0.88 -4.72 3.87 4.77 -0.81 -4.83 117.00 113.82 3ipc n LEU 254 Ca 0.01 -0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.32 3ipc n LEU 254 Cb 0.21 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3ipc n LEU 254 CO 0.19 0.20 1.09 -0.13 -1.33 0.00 0.00 177.39 177.41 3ipc s ARG 255 N -2.85 4.30 0.44 3.23 0.52 -0.96 -4.90 118.95 118.73 3ipc s ARG 255 Ca 0.14 2.14 0.10 0.00 -0.52 0.00 0.00 55.73 57.59 3ipc s ARG 255 Cb 0.18 -3.22 0.98 0.00 0.52 0.00 0.00 34.95 33.41 3ipc s ARG 255 CO 0.70 -0.46 2.06 -1.35 0.02 0.00 0.00 175.30 176.27 3ipc h PRO 256 N 6.64 0.40 0.00 3.54 0.11 -1.90 -0.86 132.00 139.93 3ipc h PRO 256 Ca -0.42 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ipc h PRO 256 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ipc h PRO 256 CO 0.87 0.26 -0.01 0.93 -0.21 0.00 0.00 178.00 179.84 3ipc h GLU 257 N 0.41 0.00 -0.49 1.05 3.07 -1.95 -2.67 114.58 114.00 3ipc h GLU 257 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3ipc h GLU 257 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3ipc h GLU 257 CO -0.03 0.01 0.00 0.09 -1.40 0.00 0.00 179.01 177.67 3ipc n ASN 258 N -3.18 3.63 -0.05 1.42 3.02 -0.33 -4.62 115.26 115.15 3ipc n ASN 258 Ca -0.02 -2.00 -0.08 0.00 -0.03 0.00 0.00 54.58 52.45 3ipc n ASN 258 Cb 0.12 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 38.95 3ipc n ASN 258 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3ipc h LYS 259 N 4.49 0.01 -0.33 3.52 3.64 -1.55 -0.03 116.57 126.32 3ipc h LYS 259 Ca 0.00 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 3ipc h LYS 259 Cb 1.00 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3ipc h LYS 259 CO 0.00 0.01 -0.37 0.93 -2.27 0.00 0.00 179.45 177.74 3ipc h GLU 260 N 0.01 0.78 -0.46 1.90 3.07 -1.85 -2.02 114.58 116.01 3ipc h GLU 260 Ca 0.11 -0.39 -0.01 0.00 -0.50 0.00 0.00 59.36 58.57 3ipc h GLU 260 Cb 0.17 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 3ipc h GLU 260 CO -0.23 1.02 0.26 1.25 -1.40 0.00 0.00 179.01 179.90 3ipc h LEU 261 N 0.64 0.56 -0.65 1.33 5.85 -1.72 -0.71 115.31 120.61 3ipc h LEU 261 Ca 0.06 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3ipc h LEU 261 Cb 0.92 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3ipc h LEU 261 CO 0.08 0.48 0.27 0.58 -0.34 0.00 0.00 178.44 179.51 3ipc h VAL 262 N 0.60 1.24 -0.75 1.05 2.07 -0.92 -1.85 116.25 117.68 3ipc h VAL 262 Ca 0.16 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3ipc h VAL 262 Cb 0.03 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3ipc h VAL 262 CO -0.03 0.29 0.49 -0.33 0.02 0.00 0.00 177.57 178.01 3ipc h GLU 263 N 0.91 0.92 -0.40 1.57 5.08 -1.02 -2.30 114.58 119.35 3ipc h GLU 263 Ca 0.22 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3ipc h GLU 263 Cb 0.19 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3ipc h GLU 263 CO -0.02 0.61 0.03 -0.22 -1.00 0.00 0.00 179.01 178.41 3ipc h LYS 264 N 0.95 0.68 -0.54 2.33 3.64 -0.55 -1.19 116.57 121.89 3ipc h LYS 264 Ca 0.29 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3ipc h LYS 264 Cb -0.01 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3ipc h LYS 264 CO -0.08 0.76 0.30 0.74 -2.27 0.00 0.00 179.45 178.90 3ipc h PHE 265 N 0.52 0.56 -0.36 1.91 0.04 -1.01 -2.27 116.94 116.33 3ipc h PHE 265 Ca 0.12 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 3ipc h PHE 265 Cb 0.43 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 3ipc h PHE 265 CO 0.03 0.29 -0.07 0.87 -0.60 0.00 0.00 178.31 178.84 3ipc h LYS 266 N 0.59 0.60 0.00 1.51 1.57 -1.19 -0.52 116.57 119.13 3ipc h LYS 266 Ca 0.23 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3ipc h LYS 266 Cb 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3ipc h LYS 266 CO -0.13 0.67 0.00 0.00 -0.57 0.00 0.00 179.45 179.42 3ipc h ALA 267 N 1.37 1.00 -0.44 3.86 0.00 -0.73 -0.44 119.26 123.87 3ipc h ALA 267 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ipc h ALA 267 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ipc h ALA 267 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3ipc n ALA 268 N -1.84 2.41 -0.86 0.00 0.00 -0.29 -4.96 120.51 114.95 3ipc n ALA 268 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3ipc n ALA 268 Cb 0.17 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3ipc n ALA 268 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ipc n GLY 269 N 1.51 0.51 3.11 0.00 0.00 -0.18 -5.06 105.19 105.08 3ipc n GLY 269 Ca 0.20 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 3ipc n GLY 269 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ipc s PHE 270 N -2.00 1.69 -0.50 1.61 5.36 -0.66 -4.99 117.98 118.49 3ipc s PHE 270 Ca 0.00 -0.53 -0.23 0.00 -0.96 0.00 0.00 56.93 55.21 3ipc s PHE 270 Cb 0.00 -1.16 0.04 0.00 -0.34 0.00 0.00 43.02 41.56 3ipc s PHE 270 CO 0.00 -0.21 0.81 1.21 -1.46 0.00 0.00 175.22 175.57 3ipc s ASN 271 N 0.21 6.34 -0.53 6.13 2.47 -1.26 -2.79 114.94 125.51 3ipc s ASN 271 Ca -0.07 -0.37 -0.06 0.00 0.42 0.00 0.00 52.86 52.78 3ipc s ASN 271 Cb -0.13 -2.38 -0.13 0.00 -1.45 0.00 0.00 41.25 37.16 3ipc s ASN 271 CO 0.03 -1.02 3.21 -0.81 -3.72 0.00 0.00 177.10 174.79 3ipc n PRO 272 N 6.88 2.65 -1.55 0.43 -0.04 -1.26 -4.94 135.00 137.16 3ipc n PRO 272 Ca 0.00 -1.73 -0.31 0.00 -0.04 0.00 0.00 63.50 61.42 3ipc n PRO 272 Cb 0.47 -2.24 0.07 0.00 -0.04 0.00 0.00 33.50 31.76 3ipc n PRO 272 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3ipc s GLU 273 N 0.48 2.55 6.67 0.54 -1.05 -1.26 -4.43 118.70 122.19 3ipc s GLU 273 Ca 0.65 0.82 0.00 0.00 -0.15 0.00 0.00 54.97 56.29 3ipc s GLU 273 Cb 0.29 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 32.03 3ipc s GLU 273 CO -0.07 -1.34 0.00 0.00 0.95 0.00 0.00 175.26 174.80 3ipc n ALA 274 N -3.27 0.00 1.53 -0.84 0.00 -1.26 -1.88 120.51 114.78 3ipc n ALA 274 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.66 3ipc n ALA 274 Cb 0.55 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.79 3ipc n ALA 274 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ipc n TYR 275 N 5.44 0.00 -0.08 0.00 4.01 -1.26 -4.06 117.16 121.21 3ipc n TYR 275 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 3ipc n TYR 275 Cb 0.00 -0.22 -0.00 0.00 -0.31 0.00 0.00 39.34 38.80 3ipc n TYR 275 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3ipc h THR 276 N 0.00 0.56 0.00 -0.72 2.02 -1.53 -0.62 112.91 112.62 3ipc h THR 276 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ipc h THR 276 Cb 0.22 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3ipc h THR 276 CO 0.00 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.80 3ipc h LEU 277 N -0.10 0.00 -0.88 2.58 3.38 -1.78 -1.61 115.31 116.91 3ipc h LEU 277 Ca 0.15 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3ipc h LEU 277 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3ipc h LEU 277 CO -0.36 0.00 -0.24 1.88 0.09 0.00 0.00 178.44 179.81 3ipc h TYR 278 N 0.00 0.63 -0.09 1.13 0.05 -1.52 -0.48 116.97 116.69 3ipc h TYR 278 Ca 0.00 -0.13 -0.15 0.00 0.05 0.00 0.00 58.73 58.50 3ipc h TYR 278 Cb 0.83 -0.15 0.01 0.00 1.01 0.00 0.00 36.73 38.42 3ipc h TYR 278 CO 0.00 0.75 -0.52 1.03 -1.05 0.00 0.00 178.16 178.37 3ipc h SER 279 N 0.49 0.61 -0.51 3.88 0.87 -0.78 -1.91 113.55 116.20 3ipc h SER 279 Ca 0.07 -0.66 0.10 0.00 -1.23 0.00 0.00 61.79 60.07 3ipc h SER 279 Cb 0.68 -0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 62.38 3ipc h SER 279 CO 0.05 1.17 0.02 0.22 -0.53 0.00 0.00 176.83 177.76 3ipc h TYR 280 N 0.09 0.01 -0.30 2.24 3.20 -1.29 -2.24 116.97 118.68 3ipc h TYR 280 Ca -0.04 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 3ipc h TYR 280 Cb 1.17 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.50 3ipc h TYR 280 CO 0.12 -0.09 -0.07 0.00 -1.64 0.00 0.00 178.16 176.47 3ipc h ALA 281 N 1.44 1.31 -0.77 1.82 0.00 -1.04 -2.07 119.26 119.95 3ipc h ALA 281 Ca 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ipc h ALA 281 Cb 0.39 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3ipc h ALA 281 CO -0.41 0.46 0.50 0.00 0.00 0.00 0.00 179.25 179.81 3ipc h ALA 282 N 1.46 0.98 -0.62 0.00 0.00 -0.75 0.62 119.26 120.95 3ipc h ALA 282 Ca 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ipc h ALA 282 Cb 0.42 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3ipc h ALA 282 CO 0.02 0.41 0.29 1.98 0.00 0.00 0.00 179.25 181.95 3ipc h MET 283 N 1.05 0.91 -0.43 0.00 -1.53 -1.09 -2.35 114.93 111.49 3ipc h MET 283 Ca 0.28 -0.14 -0.06 0.00 -3.44 0.00 0.00 59.70 56.34 3ipc h MET 283 Cb -0.10 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 30.77 3ipc h MET 283 CO -0.06 0.73 0.01 1.96 0.14 0.00 0.00 176.91 179.70 3ipc h GLN 284 N 0.86 0.69 -0.43 0.39 4.20 -0.84 -2.03 115.11 117.96 3ipc h GLN 284 Ca 0.21 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3ipc h GLN 284 Cb 0.13 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3ipc h GLN 284 CO -0.03 0.69 0.15 0.00 -0.67 0.00 0.00 178.83 178.98 3ipc h ALA 285 N 1.37 0.56 -0.25 3.87 0.00 -0.57 0.03 119.26 124.27 3ipc h ALA 285 Ca 0.13 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ipc h ALA 285 Cb 0.39 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3ipc h ALA 285 CO 0.01 0.19 0.04 0.82 0.00 0.00 0.00 179.25 180.31 3ipc h ILE 286 N 0.55 0.87 -0.55 0.00 2.04 -1.20 -0.51 117.51 118.70 3ipc h ILE 286 Ca 0.14 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 3ipc h ILE 286 Cb 0.23 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3ipc h ILE 286 CO -0.01 0.02 0.30 0.00 0.00 0.00 0.00 178.15 178.46 3ipc h ALA 287 N 1.19 0.71 -0.44 1.87 0.00 -1.15 -1.05 119.26 120.39 3ipc h ALA 287 Ca 0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3ipc h ALA 287 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ipc h ALA 287 CO -0.16 0.23 0.00 0.78 0.00 0.00 0.00 179.25 180.10 3ipc h GLY 288 N 0.74 0.85 1.30 0.00 0.00 -0.78 -1.76 103.07 103.42 3ipc h GLY 288 Ca 0.19 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 3ipc h GLY 288 CO -0.03 0.57 -0.12 0.00 0.00 0.00 0.00 176.54 176.96 3ipc h ALA 289 N 0.91 0.94 -0.64 3.60 0.00 -0.94 -1.61 119.26 121.52 3ipc h ALA 289 Ca 0.13 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3ipc h ALA 289 Cb 0.49 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3ipc h ALA 289 CO 0.02 0.62 0.18 0.00 0.00 0.00 0.00 179.25 180.07 3ipc h ALA 290 N 1.12 1.11 -0.59 0.00 0.00 -1.05 0.47 119.26 120.31 3ipc h ALA 290 Ca 0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3ipc h ALA 290 Cb 0.62 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3ipc h ALA 290 CO 0.04 0.60 0.20 -0.22 0.00 0.00 0.00 179.25 179.87 3ipc h LYS 291 N 0.95 0.91 -0.21 0.00 3.64 -0.92 -1.05 116.57 119.89 3ipc h LYS 291 Ca 0.21 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 3ipc h LYS 291 Cb 0.30 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3ipc h LYS 291 CO -0.00 0.81 -0.35 0.00 -2.27 0.00 0.00 179.45 177.63 3ipc h ALA 292 N 1.06 1.00 0.00 5.00 0.00 -0.96 -3.12 119.26 122.24 3ipc h ALA 292 Ca 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ipc h ALA 292 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ipc h ALA 292 CO -0.01 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3ipc h ALA 293 N 1.24 1.00 -2.46 0.00 0.00 -0.61 -3.47 119.26 114.95 3ipc h ALA 293 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.60 3ipc h ALA 293 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3ipc h ALA 293 CO 0.06 0.00 -0.45 0.41 0.00 0.00 0.00 179.25 179.27 3ipc n GLY 294 N 0.96 -0.29 3.51 0.00 0.00 -0.42 -4.98 105.19 103.96 3ipc n GLY 294 Ca 0.04 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 3ipc n GLY 294 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ipc s SER 295 N -2.22 -0.63 0.00 1.61 0.15 -1.06 -5.02 113.70 106.52 3ipc s SER 295 Ca 0.00 0.78 0.15 0.00 0.70 0.00 0.00 55.95 57.58 3ipc s SER 295 Cb 0.00 0.67 0.44 0.00 -1.71 0.00 0.00 66.02 65.42 3ipc s SER 295 CO 0.00 -0.53 1.36 1.33 1.20 0.00 0.00 173.24 176.60 3ipc n VAL 296 N 1.25 1.00 -2.04 4.45 0.24 -1.26 -4.45 118.33 117.52 3ipc n VAL 296 Ca -0.18 -1.00 -0.42 0.00 -2.04 0.00 0.00 64.34 60.70 3ipc n VAL 296 Cb 0.57 0.50 -0.03 0.00 -1.47 0.00 0.00 33.84 33.41 3ipc n VAL 296 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3ipc s GLU 297 N -1.00 4.22 0.30 7.34 2.12 -1.26 -4.90 118.70 125.52 3ipc s GLU 297 Ca 0.33 2.19 0.05 0.00 0.36 0.00 0.00 54.97 57.90 3ipc s GLU 297 Cb 0.17 -3.64 0.69 0.00 0.26 0.00 0.00 34.13 31.61 3ipc s GLU 297 CO 0.23 -0.70 1.79 -1.35 -0.54 0.00 0.00 175.26 174.69 3ipc h PRO 298 N 8.32 0.78 -0.34 4.30 0.11 -1.86 -0.25 132.00 143.06 3ipc h PRO 298 Ca -0.40 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 3ipc h PRO 298 Cb 1.19 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3ipc h PRO 298 CO 0.92 0.52 -0.12 0.93 -0.21 0.00 0.00 178.00 180.05 3ipc h GLU 299 N 0.81 0.60 -0.02 1.05 3.07 -1.90 -0.50 114.58 117.67 3ipc h GLU 299 Ca 0.56 -0.18 -0.21 0.00 -0.50 0.00 0.00 59.36 59.03 3ipc h GLU 299 Cb 0.81 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.66 3ipc h GLU 299 CO -0.36 0.70 -0.86 0.87 -1.40 0.00 0.00 179.01 177.96 3ipc h LYS 300 N 0.55 0.36 -0.64 2.33 1.57 -1.51 -2.66 116.57 116.57 3ipc h LYS 300 Ca 0.10 -0.36 -0.08 0.00 -1.87 0.00 0.00 60.65 58.44 3ipc h LYS 300 Cb 0.52 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 3ipc h LYS 300 CO 0.03 1.03 0.08 0.28 -0.57 0.00 0.00 179.45 180.30 3ipc h VAL 301 N 0.22 1.26 -0.46 0.50 2.07 -0.80 -1.80 116.25 117.24 3ipc h VAL 301 Ca -0.06 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.43 3ipc h VAL 301 Cb 1.48 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3ipc h VAL 301 CO 0.15 0.39 0.27 0.00 0.02 0.00 0.00 177.57 178.40 3ipc h ALA 302 N 1.03 0.59 -0.59 1.67 0.00 -1.06 0.40 119.26 121.30 3ipc h ALA 302 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ipc h ALA 302 Cb 0.47 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3ipc h ALA 302 CO 0.02 -0.05 0.38 0.93 0.00 0.00 0.00 179.25 180.53 3ipc h GLU 303 N 0.54 0.79 -0.53 0.00 5.08 -1.27 -2.70 114.58 116.49 3ipc h GLU 303 Ca 0.19 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3ipc h GLU 303 Cb 0.03 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3ipc h GLU 303 CO -0.09 0.54 0.02 0.00 -1.00 0.00 0.00 179.01 178.48 3ipc h ALA 304 N 1.20 1.04 -0.65 3.43 0.00 -0.90 -2.58 119.26 120.80 3ipc h ALA 304 Ca 0.22 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3ipc h ALA 304 Cb -0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3ipc h ALA 304 CO -0.04 0.60 0.43 -0.07 0.00 0.00 0.00 179.25 180.17 3ipc h LEU 305 N 0.82 0.62 -0.13 0.00 3.38 -0.62 -1.67 115.31 117.71 3ipc h LEU 305 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ipc h LEU 305 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3ipc h LEU 305 CO 0.02 0.42 -0.06 0.29 0.09 0.00 0.00 178.44 179.20 3ipc n LYS 306 N -4.47 0.63 -0.10 1.13 5.02 -0.99 -3.81 118.16 115.57 3ipc n LYS 306 Ca 0.09 -0.13 -0.17 0.00 -2.02 0.00 0.00 58.31 56.08 3ipc n LYS 306 Cb 0.18 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.60 3ipc n LYS 306 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ipc n LYS 307 N -1.07 0.48 -2.42 1.97 4.81 -0.69 -4.83 118.16 116.41 3ipc n LYS 307 Ca 0.15 0.14 -0.10 0.00 -0.87 0.00 0.00 58.31 57.63 3ipc n LYS 307 Cb 0.25 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 33.94 3ipc n LYS 307 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ipc n GLY 308 N 2.28 2.89 3.29 3.14 0.00 -0.81 -5.03 105.19 110.96 3ipc n GLY 308 Ca -0.37 -2.22 -0.25 0.00 0.00 0.00 0.00 46.02 43.17 3ipc n GLY 308 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ipc s SER 309 N -2.31 2.65 -0.02 1.61 0.01 -1.26 -4.44 113.70 109.94 3ipc s SER 309 Ca 0.13 -0.64 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 3ipc s SER 309 Cb -0.01 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.05 3ipc s SER 309 CO 0.08 0.12 0.05 -0.36 0.41 0.00 0.00 173.24 173.54 3ipc s PHE 310 N -1.02 -0.03 0.22 2.43 0.40 -0.01 -4.94 117.98 115.03 3ipc s PHE 310 Ca 0.08 0.09 -0.30 0.00 -0.60 0.00 0.00 56.93 56.20 3ipc s PHE 310 Cb -0.10 0.00 -0.09 0.00 0.51 0.00 0.00 43.02 43.35 3ipc s PHE 310 CO 0.04 -0.05 1.20 -1.25 0.70 0.00 0.00 175.22 175.86 3ipc s PRO 311 N -0.14 4.49 0.25 0.24 0.04 -1.26 -0.70 135.00 137.92 3ipc s PRO 311 Ca -0.02 1.92 -0.10 0.00 0.04 0.00 0.00 61.00 62.85 3ipc s PRO 311 Cb -0.01 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 3ipc s PRO 311 CO 0.00 -0.06 0.41 0.95 0.04 0.00 0.00 177.00 178.34 3ipc s THR 312 N -0.38 0.00 -0.62 1.26 -4.23 -1.13 -4.75 115.64 105.79 3ipc s THR 312 Ca 0.51 -1.54 0.17 0.00 -1.18 0.00 0.00 61.69 59.65 3ipc s THR 312 Cb -0.34 -2.31 0.16 0.00 1.34 0.00 0.00 72.50 71.36 3ipc s THR 312 CO 0.40 0.00 1.51 0.00 -0.54 0.00 0.00 174.62 175.99 3ipc n ALA 313 N -0.38 1.38 1.30 3.99 0.00 -1.26 -0.92 120.51 124.62 3ipc n ALA 313 Ca -0.01 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3ipc n ALA 313 Cb 0.63 -1.26 0.37 0.00 0.00 0.00 0.00 19.45 19.18 3ipc n ALA 313 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ipc n LEU 314 N -1.94 1.58 0.00 0.00 4.77 -1.26 -4.92 117.00 115.23 3ipc n LEU 314 Ca 0.01 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3ipc n LEU 314 Cb 0.12 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3ipc n LEU 314 CO 0.12 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3ipc n GLY 315 N 1.28 -3.23 3.69 -0.72 0.00 -0.10 -4.97 105.19 101.14 3ipc n GLY 315 Ca 0.15 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 3ipc n GLY 315 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ipc s GLU 316 N -0.84 4.21 0.01 1.61 2.12 -1.26 -2.84 118.70 121.72 3ipc s GLU 316 Ca 0.00 2.30 0.03 0.00 0.36 0.00 0.00 54.97 57.66 3ipc s GLU 316 Cb 0.00 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 3ipc s GLU 316 CO 0.00 -0.71 -0.05 -1.50 -0.54 0.00 0.00 175.26 172.46 3ipc s ILE 317 N 2.52 3.74 0.22 -3.70 2.07 0.12 -4.89 121.20 121.29 3ipc s ILE 317 Ca 0.73 -0.79 -0.09 0.00 -1.41 0.00 0.00 60.65 59.09 3ipc s ILE 317 Cb -0.39 -2.65 -0.02 0.00 0.13 0.00 0.00 42.46 39.53 3ipc s ILE 317 CO 0.32 0.35 0.35 -0.94 -1.91 0.00 0.00 174.94 173.11 3ipc s SER 318 N -1.55 -0.00 0.02 4.50 1.04 -1.26 -0.83 113.70 115.61 3ipc s SER 318 Ca 0.18 -1.05 0.02 0.00 0.48 0.00 0.00 55.95 55.59 3ipc s SER 318 Cb -0.11 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 3ipc s SER 318 CO 0.09 -1.02 -0.08 -0.36 0.98 0.00 0.00 173.24 172.85 3ipc s PHE 319 N -4.05 0.68 0.96 5.02 0.08 -1.25 -0.52 117.98 118.90 3ipc s PHE 319 Ca 0.26 -0.31 -0.14 0.00 0.12 0.00 0.00 56.93 56.86 3ipc s PHE 319 Cb 0.02 -0.42 0.22 0.00 -0.57 0.00 0.00 43.02 42.27 3ipc s PHE 319 CO 0.09 -0.03 1.31 0.16 -0.10 0.00 0.00 175.22 176.64 3ipc s ASP 320 N -0.90 3.01 0.29 1.36 1.47 -0.07 -4.69 116.67 117.14 3ipc s ASP 320 Ca -0.03 0.05 0.24 0.00 1.18 0.00 0.00 52.55 53.99 3ipc s ASP 320 Cb -0.06 -0.04 1.05 0.00 -0.34 0.00 0.00 42.92 43.53 3ipc s ASP 320 CO 0.00 -2.78 1.72 -0.62 0.68 0.00 0.00 175.17 174.17 3ipc n GLU 321 N -3.72 0.19 0.00 2.11 -0.58 -1.26 -1.49 120.64 115.89 3ipc n GLU 321 Ca 0.17 0.48 0.11 0.00 -0.42 0.00 0.00 57.16 57.51 3ipc n GLU 321 Cb 0.59 -1.92 0.14 0.00 -0.57 0.00 0.00 31.44 29.69 3ipc n GLU 321 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ipc n LYS 322 N -2.29 0.10 -0.01 3.49 5.02 -1.26 -4.95 118.16 118.26 3ipc n LYS 322 Ca 0.01 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3ipc n LYS 322 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3ipc n LYS 322 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ipc n GLY 323 N 1.49 0.70 3.77 0.72 0.00 -0.56 -4.77 105.19 106.54 3ipc n GLY 323 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3ipc n GLY 323 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ipc s ASP 324 N -2.60 7.43 0.47 1.61 1.01 -1.26 -2.04 116.67 121.30 3ipc s ASP 324 Ca 0.00 1.69 -0.20 0.00 0.71 0.00 0.00 52.55 54.75 3ipc s ASP 324 Cb 0.00 -2.52 -0.09 0.00 1.01 0.00 0.00 42.92 41.32 3ipc s ASP 324 CO 0.00 0.20 1.01 -2.16 0.21 0.00 0.00 175.17 174.43 3ipc s PRO 325 N -1.13 3.92 -0.89 8.23 0.04 -1.25 -0.89 135.00 143.03 3ipc s PRO 325 Ca 0.37 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 62.54 3ipc s PRO 325 Cb -0.24 -2.12 0.22 0.00 0.04 0.00 0.00 34.50 32.41 3ipc s PRO 325 CO 0.27 -0.32 0.87 0.15 0.04 0.00 0.00 177.00 178.02 3ipc s LYS 326 N -3.27 3.72 0.19 4.56 1.02 0.32 -4.87 119.74 121.41 3ipc s LYS 326 Ca 0.65 -2.55 -0.00 0.00 0.02 0.00 0.00 55.97 54.09 3ipc s LYS 326 Cb -0.14 -4.50 -0.04 0.00 -0.52 0.00 0.00 37.83 32.63 3ipc s LYS 326 CO 0.19 -1.33 0.10 -0.51 -0.92 0.00 0.00 175.35 172.88 3ipc s LEU 327 N 0.11 1.45 0.67 3.17 1.43 -1.26 -4.40 118.68 119.85 3ipc s LEU 327 Ca 0.22 -1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 51.82 3ipc s LEU 327 Cb -0.09 0.27 -0.00 0.00 0.03 0.00 0.00 46.19 46.40 3ipc s LEU 327 CO -0.09 -0.78 1.27 -2.65 0.23 0.00 0.00 176.35 174.33 3ipc n PRO 328 N -0.25 1.00 -0.93 1.29 -0.02 -1.26 -5.00 135.00 129.82 3ipc n PRO 328 Ca -0.01 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.77 3ipc n PRO 328 Cb 0.65 -2.50 0.07 0.00 -0.02 0.00 0.00 33.50 31.70 3ipc n PRO 328 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ipc n GLY 329 N 0.90 -0.63 3.77 -1.23 0.00 -1.26 -4.67 105.19 102.08 3ipc n GLY 329 Ca 0.16 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 3ipc n GLY 329 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ipc s TYR 330 N -1.75 3.22 0.19 1.61 2.02 -1.26 -4.22 117.35 117.16 3ipc s TYR 330 Ca 0.27 1.61 0.04 0.00 -0.37 0.00 0.00 57.07 58.63 3ipc s TYR 330 Cb -0.01 -3.28 -0.05 0.00 -0.40 0.00 0.00 41.96 38.22 3ipc s TYR 330 CO 0.19 -0.94 -0.05 0.14 -1.57 0.00 0.00 175.55 173.31 3ipc s VAL 331 N -1.46 1.12 -0.12 0.71 -7.23 -0.43 -4.95 120.40 108.04 3ipc s VAL 331 Ca 0.55 -2.05 -0.14 0.00 -1.81 0.00 0.00 61.98 58.53 3ipc s VAL 331 Cb -0.28 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 3ipc s VAL 331 CO 0.35 -0.53 0.34 -0.32 -0.31 0.00 0.00 175.10 174.63 3ipc s MET 332 N -3.80 4.15 0.15 4.82 1.75 -1.26 -2.12 119.30 122.99 3ipc s MET 332 Ca 0.23 0.22 0.08 0.00 -1.25 0.00 0.00 55.69 54.96 3ipc s MET 332 Cb 0.04 -3.37 -0.04 0.00 2.84 0.00 0.00 34.83 34.30 3ipc s MET 332 CO 0.05 0.35 -0.08 0.71 -0.65 0.00 0.00 175.02 175.40 3ipc s TYR 333 N 0.10 2.72 0.02 4.11 2.02 0.77 -2.00 117.35 125.09 3ipc s TYR 333 Ca 0.20 -0.18 0.07 0.00 -0.37 0.00 0.00 57.07 56.79 3ipc s TYR 333 Cb -0.14 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 40.04 3ipc s TYR 333 CO 0.07 0.48 -0.21 -2.00 -1.57 0.00 0.00 175.55 172.32 3ipc s GLU 334 N -2.64 1.53 -0.29 -0.62 2.12 -0.01 -1.24 118.70 117.53 3ipc s GLU 334 Ca 0.24 -0.89 -0.24 0.00 0.36 0.00 0.00 54.97 54.45 3ipc s GLU 334 Cb -0.10 -1.59 -0.00 0.00 0.26 0.00 0.00 34.13 32.71 3ipc s GLU 334 CO 0.15 0.42 0.79 -1.58 -0.54 0.00 0.00 175.26 174.50 3ipc s TRP 335 N -0.69 3.22 0.21 5.30 0.52 0.14 -0.82 118.94 126.83 3ipc s TRP 335 Ca 0.08 0.87 -0.08 0.00 0.02 0.00 0.00 56.10 56.99 3ipc s TRP 335 Cb -0.09 -3.18 -0.02 0.00 -1.15 0.00 0.00 33.47 29.04 3ipc s TRP 335 CO 0.01 -0.53 0.31 0.15 0.02 0.00 0.00 176.95 176.91 3ipc s LYS 336 N 2.93 1.33 0.07 4.98 1.02 -0.79 -1.02 119.74 128.25 3ipc s LYS 336 Ca 0.33 -1.36 -0.31 0.00 0.02 0.00 0.00 55.97 54.65 3ipc s LYS 336 Cb -0.14 0.38 -0.07 0.00 -0.52 0.00 0.00 37.83 37.48 3ipc s LYS 336 CO 0.12 -0.50 1.43 0.15 -0.92 0.00 0.00 175.35 175.62 3ipc s LYS 337 N -4.05 4.29 0.96 1.68 1.02 -1.26 -1.41 119.74 120.97 3ipc s LYS 337 Ca 0.26 2.06 -0.15 0.00 0.02 0.00 0.00 55.97 58.17 3ipc s LYS 337 Cb 0.03 -3.42 0.22 0.00 -0.52 0.00 0.00 37.83 34.14 3ipc s LYS 337 CO 0.08 -0.53 1.31 0.20 -0.92 0.00 0.00 175.35 175.49 3ipc s GLY 338 N 1.56 1.82 0.56 -3.33 0.00 0.17 -4.88 107.32 103.21 3ipc s GLY 338 Ca 0.65 -1.41 0.24 0.00 0.00 0.00 0.00 44.72 44.20 3ipc s GLY 338 CO 0.29 -0.61 2.15 -2.55 0.00 0.00 0.00 173.10 172.38 3ipc h PRO 339 N -1.62 0.00 -0.19 2.90 0.11 -1.95 -0.61 132.00 130.64 3ipc h PRO 339 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3ipc h PRO 339 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ipc h PRO 339 CO 0.32 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.71 3ipc n ASP 340 N -4.14 1.23 0.00 -2.05 3.85 -1.26 -4.91 116.55 109.27 3ipc n ASP 340 Ca -0.00 -1.86 0.00 0.00 -0.71 0.00 0.00 54.79 52.22 3ipc n ASP 340 Cb 0.21 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 3ipc n ASP 340 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ipc n GLY 341 N 0.93 0.85 3.79 6.12 0.00 -0.24 -5.03 105.19 111.62 3ipc n GLY 341 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3ipc n GLY 341 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ipc s LYS 342 N -0.20 3.15 0.21 1.61 1.02 -1.26 -4.78 119.74 119.49 3ipc s LYS 342 Ca 0.00 -0.38 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 3ipc s LYS 342 Cb 0.00 -2.93 -0.09 0.00 -0.52 0.00 0.00 37.83 34.28 3ipc s LYS 342 CO 0.00 0.69 1.43 -0.06 -0.92 0.00 0.00 175.35 176.49 3ipc s PHE 343 N -1.10 3.10 0.32 3.18 0.08 -1.26 -0.66 117.98 121.64 3ipc s PHE 343 Ca 0.19 0.98 -0.14 0.00 0.12 0.00 0.00 56.93 58.08 3ipc s PHE 343 Cb -0.12 -3.78 0.02 0.00 -0.57 0.00 0.00 43.02 38.58 3ipc s PHE 343 CO 0.10 -2.61 0.65 -0.08 -0.10 0.00 0.00 175.22 173.18 3ipc s THR 344 N 0.37 0.00 -0.16 0.64 -1.32 -0.50 -4.86 115.64 109.81 3ipc s THR 344 Ca 0.61 -1.19 -0.23 0.00 -1.21 0.00 0.00 61.69 59.67 3ipc s THR 344 Cb -0.40 -2.45 -0.02 0.00 -1.51 0.00 0.00 72.50 68.11 3ipc s THR 344 CO 0.38 0.00 0.71 -0.72 -2.21 0.00 0.00 174.62 172.78 3ipc s TYR 345 N -3.25 3.44 -0.06 9.09 -0.85 -1.26 -1.88 117.35 122.58 3ipc s TYR 345 Ca 0.18 1.11 0.03 0.00 -0.52 0.00 0.00 57.07 57.86 3ipc s TYR 345 Cb -0.04 -2.86 0.01 0.00 0.38 0.00 0.00 41.96 39.45 3ipc s TYR 345 CO 0.11 -0.13 -0.13 0.42 -1.52 0.00 0.00 175.55 174.30 3ipc s ILE 346 N 1.71 1.20 0.30 -3.49 1.01 0.00 -4.89 121.20 117.03 3ipc s ILE 346 Ca 0.34 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 60.17 3ipc s ILE 346 Cb -0.16 -1.08 -0.11 0.00 0.01 0.00 0.00 42.46 41.12 3ipc s ILE 346 CO 0.13 0.37 1.48 -1.58 0.00 0.00 0.00 174.94 175.33 3ipc s GLN 347 N 0.56 4.20 0.00 2.79 0.74 -1.26 -0.83 119.66 125.86 3ipc s GLN 347 Ca -0.13 2.43 0.22 0.00 0.05 0.00 0.00 55.36 57.93 3ipc s GLN 347 Cb -0.15 -3.05 1.29 0.00 1.10 0.00 0.00 33.01 32.20 3ipc s GLN 347 CO 0.04 -0.48 1.67 1.04 -0.55 0.00 0.00 175.29 177.01