#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2b s ARG 9 N 0.00 1.59 -0.07 5.56 0.52 -1.26 -5.05 118.95 120.24 3i2b s ARG 9 Ca 0.00 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.50 3i2b s ARG 9 Cb 0.00 -1.56 0.01 0.00 0.52 0.00 0.00 34.95 33.92 3i2b s ARG 9 CO 0.00 0.42 -0.15 0.00 0.02 0.00 0.00 175.30 175.60 3i2b s GLN 11 N 0.52 3.70 0.11 0.00 -1.52 -1.26 -0.63 119.66 120.58 3i2b s GLN 11 Ca -0.14 0.10 -0.07 0.00 -1.95 0.00 0.00 55.36 53.30 3i2b s GLN 11 Cb -0.15 -3.05 -0.01 0.00 -0.22 0.00 0.00 33.01 29.57 3i2b s GLN 11 CO 0.04 0.61 0.18 0.00 -0.25 0.00 0.00 175.29 175.88 3i2b s ALA 12 N -1.32 0.02 -0.10 6.09 0.00 -0.52 -4.92 121.76 121.00 3i2b s ALA 12 Ca 0.30 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 3i2b s ALA 12 Cb -0.14 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 3i2b s ALA 12 CO 0.17 -0.54 -0.06 -0.65 0.00 0.00 0.00 175.76 174.68 3i2b s GLN 13 N -3.92 3.14 -0.04 0.00 -0.21 -1.26 -2.42 119.66 114.94 3i2b s GLN 13 Ca 0.11 -0.54 0.03 0.00 0.02 0.00 0.00 55.36 54.98 3i2b s GLN 13 Cb 0.05 -2.72 0.00 0.00 1.00 0.00 0.00 33.01 31.35 3i2b s GLN 13 CO -0.06 0.48 -0.14 0.08 -2.12 0.00 0.00 175.29 173.53 3i2b s VAL 14 N -0.31 1.22 0.05 1.09 1.01 -0.31 -4.98 120.40 118.17 3i2b s VAL 14 Ca 0.05 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3i2b s VAL 14 Cb -0.13 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 3i2b s VAL 14 CO 0.02 0.36 -0.17 -0.44 0.00 0.00 0.00 175.10 174.87 3i2b s SER 15 N 0.23 2.08 -0.02 3.32 0.01 -1.26 -0.45 113.70 117.60 3i2b s SER 15 Ca -0.06 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 56.70 3i2b s SER 15 Cb -0.12 -0.14 -0.00 0.00 0.21 0.00 0.00 66.02 65.97 3i2b s SER 15 CO 0.02 0.07 -0.12 -0.60 0.41 0.00 0.00 173.24 173.03 3i2b s ARG 16 N -1.32 1.08 -0.11 12.44 3.52 -0.43 -4.98 118.95 129.16 3i2b s ARG 16 Ca 0.04 -0.42 -0.00 0.00 -0.13 0.00 0.00 55.73 55.22 3i2b s ARG 16 Cb -0.09 -1.02 -0.02 0.00 -1.56 0.00 0.00 34.95 32.26 3i2b s ARG 16 CO 0.02 0.21 -0.09 0.50 -0.81 0.00 0.00 175.30 175.14 3i2b s ARG 17 N -0.08 3.16 0.22 5.12 3.52 -1.26 -1.03 118.95 128.60 3i2b s ARG 17 Ca 0.01 -0.59 -0.00 0.00 -0.13 0.00 0.00 55.73 55.01 3i2b s ARG 17 Cb -0.07 -2.67 -0.04 0.00 -1.56 0.00 0.00 34.95 30.61 3i2b s ARG 17 CO 0.00 0.42 0.12 0.96 -0.81 0.00 0.00 175.30 175.99 3i2b s ILE 18 N -0.15 0.19 0.17 4.11 -4.36 -0.31 -4.98 121.20 115.87 3i2b s ILE 18 Ca 0.01 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.46 3i2b s ILE 18 Cb -0.13 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.99 3i2b s ILE 18 CO 0.03 -0.00 -0.12 -0.94 0.24 0.00 0.00 174.94 174.14 3i2b s SER 19 N -3.21 2.14 0.04 4.36 1.04 -1.26 -0.47 113.70 116.34 3i2b s SER 19 Ca 0.39 -0.99 -0.05 0.00 0.48 0.00 0.00 55.95 55.78 3i2b s SER 19 Cb 0.07 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 3i2b s SER 19 CO 0.13 -0.24 0.07 0.72 0.98 0.00 0.00 173.24 174.90 3i2b s PHE 20 N -3.04 0.26 -0.17 5.02 -0.71 -0.45 -4.99 117.98 113.90 3i2b s PHE 20 Ca 0.18 -0.62 -0.07 0.00 -1.04 0.00 0.00 56.93 55.39 3i2b s PHE 20 Cb 0.00 -0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 3i2b s PHE 20 CO 0.03 -0.38 0.05 -1.12 -1.34 0.00 0.00 175.22 172.47 3i2b s SER 21 N -2.31 5.53 0.05 1.98 0.01 -1.26 0.16 113.70 117.86 3i2b s SER 21 Ca -0.02 0.08 -0.16 0.00 1.31 0.00 0.00 55.95 57.15 3i2b s SER 21 Cb 0.01 -1.91 0.03 0.00 0.21 0.00 0.00 66.02 64.36 3i2b s SER 21 CO -0.06 0.20 0.36 0.00 0.41 0.00 0.00 173.24 174.15 3i2b s ALA 22 N 0.21 -0.86 0.19 1.44 0.00 -0.78 0.85 121.76 122.81 3i2b s ALA 22 Ca 0.03 0.14 0.07 0.00 0.00 0.00 0.00 51.96 52.21 3i2b s ALA 22 Cb -0.12 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 3i2b s ALA 22 CO 0.01 -0.45 0.04 -1.54 0.00 0.00 0.00 175.76 173.81 3i2b s SER 23 N -2.10 4.94 0.33 0.00 1.04 -0.42 -1.42 113.70 116.06 3i2b s SER 23 Ca -0.04 -0.36 -0.18 0.00 0.48 0.00 0.00 55.95 55.84 3i2b s SER 23 Cb -0.01 -1.11 0.03 0.00 0.10 0.00 0.00 66.02 65.04 3i2b s SER 23 CO -0.04 0.07 0.74 -1.38 0.98 0.00 0.00 173.24 173.61 3i2b s HIS 24 N -1.82 -0.03 -0.01 5.02 -0.00 -0.16 -0.45 115.29 117.84 3i2b s HIS 24 Ca 0.29 -0.52 0.00 0.00 -0.00 0.00 0.00 55.06 54.83 3i2b s HIS 24 Cb -0.09 0.75 0.01 0.00 -0.00 0.00 0.00 32.58 33.25 3i2b s HIS 24 CO 0.20 -1.38 0.01 0.50 -0.00 0.00 0.00 174.74 174.07 3i2b s ARG 25 N -3.22 0.01 -0.25 -0.38 3.52 -1.26 -1.37 118.95 116.00 3i2b s ARG 25 Ca 0.13 0.05 -0.20 0.00 -0.13 0.00 0.00 55.73 55.59 3i2b s ARG 25 Cb -0.05 -0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.21 3i2b s ARG 25 CO 0.09 -0.05 0.60 -0.51 -0.81 0.00 0.00 175.30 174.62 3i2b s LEU 26 N 0.36 4.06 -0.28 -0.88 1.43 -0.37 -4.57 118.68 118.43 3i2b s LEU 26 Ca -0.03 0.67 -0.22 0.00 -1.03 0.00 0.00 54.13 53.52 3i2b s LEU 26 Cb -0.04 -2.81 0.08 0.00 0.03 0.00 0.00 46.19 43.44 3i2b s LEU 26 CO -0.01 -0.35 0.75 -0.47 0.23 0.00 0.00 176.35 176.50 3i2b s TYR 27 N 2.44 -0.84 -0.11 0.29 5.04 -1.26 -4.08 117.35 118.82 3i2b s TYR 27 Ca 0.25 1.89 0.03 0.00 -2.44 0.00 0.00 57.07 56.80 3i2b s TYR 27 Cb -0.16 0.40 -0.00 0.00 0.35 0.00 0.00 41.96 42.56 3i2b s TYR 27 CO 0.09 -0.41 -0.22 0.45 -1.34 0.00 0.00 175.55 174.12 3i2b s SER 28 N 0.82 3.23 0.67 4.32 0.15 -1.26 -4.63 113.70 117.00 3i2b s SER 28 Ca -0.03 -0.53 0.33 0.00 0.70 0.00 0.00 55.95 56.41 3i2b s SER 28 Cb -0.05 -1.45 1.78 0.00 -1.71 0.00 0.00 66.02 64.59 3i2b s SER 28 CO -0.07 0.14 2.01 0.07 1.20 0.00 0.00 173.24 176.59 3i2b h LYS 29 N 6.84 0.00 0.00 5.44 -0.00 -1.97 -2.70 116.57 124.18 3i2b h LYS 29 Ca -0.23 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 60.26 3i2b h LYS 29 Cb 1.23 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.43 3i2b h LYS 29 CO 0.50 0.00 -1.25 0.74 -0.00 0.00 0.00 179.45 179.44 3i2b h PHE 30 N 0.00 0.00 -1.74 0.07 -1.00 -2.01 -3.48 116.94 108.78 3i2b h PHE 30 Ca 0.00 0.00 -0.42 0.00 2.81 0.00 0.00 57.97 60.36 3i2b h PHE 30 Cb 0.55 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.14 3i2b h PHE 30 CO 0.00 0.61 -0.20 -0.51 -1.61 0.00 0.00 178.31 176.61 3i2b s LEU 31 N -5.96 3.55 0.40 1.54 1.02 -1.02 -5.12 118.68 113.09 3i2b s LEU 31 Ca -0.02 -0.31 -0.16 0.00 0.02 0.00 0.00 54.13 53.67 3i2b s LEU 31 Cb 0.08 -2.72 -0.09 0.00 0.02 0.00 0.00 46.19 43.49 3i2b s LEU 31 CO 0.80 -0.87 0.85 -0.94 0.02 0.00 0.00 176.35 176.20 3i2b s SER 32 N -4.37 6.74 0.56 2.29 1.04 -1.26 -4.82 113.70 113.88 3i2b s SER 32 Ca 0.56 1.41 0.36 0.00 0.48 0.00 0.00 55.95 58.76 3i2b s SER 32 Cb -0.10 -2.43 1.48 0.00 0.10 0.00 0.00 66.02 65.06 3i2b s SER 32 CO 0.35 -0.35 1.71 -2.24 0.98 0.00 0.00 173.24 173.68 3i2b h ASP 33 N 1.72 0.00 0.20 7.02 3.04 -1.99 0.56 116.42 126.97 3i2b h ASP 33 Ca -0.48 0.00 -0.30 0.00 -3.24 0.00 0.00 57.03 53.02 3i2b h ASP 33 Cb 1.18 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 39.50 3i2b h ASP 33 CO 0.63 0.00 -1.28 1.05 -2.04 0.00 0.00 179.24 177.60 3i2b h GLU 34 N 0.00 0.52 0.00 4.15 -0.00 -2.00 -3.28 114.58 113.96 3i2b h GLU 34 Ca 0.56 -0.82 -0.12 0.00 -0.00 0.00 0.00 59.36 58.98 3i2b h GLU 34 Cb 2.43 0.30 -0.02 0.00 -0.00 0.00 0.00 28.75 31.46 3i2b h GLU 34 CO -0.01 1.39 -0.87 0.93 -0.00 0.00 0.00 179.01 180.45 3i2b h GLU 35 N 0.07 0.00 -0.47 1.06 5.08 -0.43 -2.83 114.58 117.06 3i2b h GLU 35 Ca -0.22 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 3i2b h GLU 35 Cb 1.99 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.22 3i2b h GLU 35 CO 0.24 0.36 0.03 -0.91 -1.00 0.00 0.00 179.01 177.72 3i2b h ASN 36 N 0.00 0.72 -0.36 1.42 2.35 -0.71 -0.38 115.58 118.61 3i2b h ASN 36 Ca -0.06 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.53 3i2b h ASN 36 Cb 1.41 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 3i2b h ASN 36 CO 0.05 0.77 0.22 -0.07 -1.65 0.00 0.00 177.43 176.75 3i2b h LEU 37 N 0.71 0.44 -0.71 1.61 -0.00 -1.59 0.76 115.31 116.53 3i2b h LEU 37 Ca 0.14 -0.06 -0.06 0.00 -0.00 0.00 0.00 57.88 57.90 3i2b h LEU 37 Cb 0.40 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 3i2b h LEU 37 CO 0.01 0.37 0.20 0.07 -0.00 0.00 0.00 178.44 179.09 3i2b h LYS 38 N 0.47 1.11 0.10 1.13 5.09 -1.22 0.05 116.57 123.31 3i2b h LYS 38 Ca 0.13 -0.25 -0.18 0.00 0.09 0.00 0.00 60.65 60.44 3i2b h LYS 38 Cb 0.01 -0.15 0.02 0.00 0.10 0.00 0.00 32.23 32.21 3i2b h LYS 38 CO -0.02 0.97 -0.77 1.25 -2.09 0.00 0.00 179.45 178.79 3i2b h LEU 39 N 1.05 0.49 0.00 7.07 5.85 -0.99 -3.38 115.31 125.41 3i2b h LEU 39 Ca 0.23 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 58.05 3i2b h LEU 39 Cb 0.33 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3i2b h LEU 39 CO -0.00 1.35 -1.32 0.49 -0.34 0.00 0.00 178.44 178.61 3i2b n PHE 40 N -4.14 0.00 0.00 1.25 3.72 0.25 -5.05 117.46 113.49 3i2b n PHE 40 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3i2b n PHE 40 Cb 0.79 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 3i2b n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i2b n GLY 41 N 1.42 3.21 0.26 1.37 0.00 0.00 -1.84 105.19 109.62 3i2b n GLY 41 Ca 0.01 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3i2b n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i2b h LYS 42 N 0.00 0.00 0.00 1.61 1.57 -1.96 -0.45 116.57 117.34 3i2b h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i2b h LYS 42 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3i2b h LYS 42 CO 0.00 0.07 0.00 0.00 -0.57 0.00 0.00 179.45 178.95 3i2b n ASN 44 N -1.82 2.37 -4.69 0.00 2.85 -0.18 -1.23 115.26 112.56 3i2b n ASN 44 Ca 0.01 -1.83 -0.64 0.00 -0.11 0.00 0.00 54.58 52.02 3i2b n ASN 44 Cb 0.11 -0.15 -0.09 0.00 1.24 0.00 0.00 39.78 40.89 3i2b n ASN 44 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3i2b n ASN 45 N 0.79 1.29 -0.31 1.20 5.15 -0.53 -4.82 115.26 118.04 3i2b n ASN 45 Ca 0.17 1.16 0.11 0.00 -0.60 0.00 0.00 54.58 55.42 3i2b n ASN 45 Cb 0.44 -0.96 0.34 0.00 -0.53 0.00 0.00 39.78 39.07 3i2b n ASN 45 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3i2b h PRO 46 N 5.14 0.75 -0.33 1.20 0.11 -1.94 -0.80 132.00 136.14 3i2b h PRO 46 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i2b h PRO 46 Cb 1.37 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3i2b h PRO 46 CO 0.91 0.50 0.00 0.09 -0.21 0.00 0.00 178.00 179.29 3i2b n ASN 47 N -4.61 2.26 0.00 -2.05 3.02 -1.26 -5.03 115.26 107.59 3i2b n ASN 47 Ca 0.19 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 3i2b n ASN 47 Cb 0.47 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 3i2b n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i2b n GLY 48 N 1.22 -0.26 1.19 7.41 0.00 -0.31 -5.02 105.19 109.43 3i2b n GLY 48 Ca 0.16 -1.88 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 3i2b n GLY 48 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i2b n HIS 49 N -0.39 -0.96 -3.95 1.61 1.44 -0.47 -4.87 115.22 107.63 3i2b n HIS 49 Ca 0.00 -0.77 -0.10 0.00 -2.01 0.00 0.00 57.72 54.85 3i2b n HIS 49 Cb 0.00 0.22 -0.03 0.00 0.12 0.00 0.00 29.99 30.31 3i2b n HIS 49 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3i2b s GLY 50 N -1.74 0.57 -0.01 -1.39 0.00 -1.26 -0.99 107.32 102.50 3i2b s GLY 50 Ca 0.09 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 43.82 3i2b s GLY 50 CO 0.06 -0.52 0.26 0.30 0.00 0.00 0.00 173.10 173.20 3i2b s HIS 51 N -3.41 -0.11 -0.82 1.90 3.76 -0.51 -5.00 115.29 111.09 3i2b s HIS 51 Ca 0.20 0.14 -0.21 0.00 -0.15 0.00 0.00 55.06 55.05 3i2b s HIS 51 Cb -0.03 0.05 0.10 0.00 1.11 0.00 0.00 32.58 33.81 3i2b s HIS 51 CO 0.11 -0.36 1.08 -0.80 -0.85 0.00 0.00 174.74 173.93 3i2b s ASN 52 N -1.36 6.42 0.38 1.40 0.01 -1.26 -1.87 114.94 118.67 3i2b s ASN 52 Ca -0.14 -1.55 -0.26 0.00 -0.71 0.00 0.00 52.86 50.20 3i2b s ASN 52 Cb -0.06 -2.42 -0.09 0.00 0.41 0.00 0.00 41.25 39.09 3i2b s ASN 52 CO 0.03 -1.26 1.17 -0.31 -1.51 0.00 0.00 177.10 175.22 3i2b s TYR 53 N 3.46 3.13 -0.05 2.20 1.51 0.12 -4.75 117.35 122.97 3i2b s TYR 53 Ca 0.29 1.56 0.04 0.00 -1.01 0.00 0.00 57.07 57.95 3i2b s TYR 53 Cb -0.10 -3.39 -0.02 0.00 -0.11 0.00 0.00 41.96 38.34 3i2b s TYR 53 CO -0.01 -1.25 -0.15 0.15 -1.11 0.00 0.00 175.55 173.18 3i2b s LYS 54 N -2.18 2.56 -0.06 -0.62 1.02 -0.67 -1.34 119.74 118.44 3i2b s LYS 54 Ca 0.55 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.86 3i2b s LYS 54 Cb -0.31 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.63 3i2b s LYS 54 CO 0.39 0.58 -0.14 0.08 -0.92 0.00 0.00 175.35 175.35 3i2b s VAL 55 N -0.63 1.26 -0.23 3.17 1.01 0.38 -0.49 120.40 124.86 3i2b s VAL 55 Ca 0.09 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 3i2b s VAL 55 Cb -0.11 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.14 3i2b s VAL 55 CO 0.01 0.38 -0.04 -0.69 0.00 0.00 0.00 175.10 174.76 3i2b s VAL 56 N 0.51 3.29 -0.19 2.92 1.01 0.13 -1.17 120.40 126.90 3i2b s VAL 56 Ca -0.13 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 3i2b s VAL 56 Cb -0.15 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3i2b s VAL 56 CO 0.04 0.35 0.08 -0.69 0.00 0.00 0.00 175.10 174.88 3i2b s VAL 57 N 1.45 4.86 -0.14 2.92 1.01 -0.20 -0.83 120.40 129.47 3i2b s VAL 57 Ca 0.04 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3i2b s VAL 57 Cb -0.15 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.03 3i2b s VAL 57 CO -0.03 0.44 -0.20 -0.89 0.00 0.00 0.00 175.10 174.42 3i2b s THR 58 N 0.49 2.28 0.28 3.92 2.01 -0.19 -1.32 115.64 123.11 3i2b s THR 58 Ca 0.04 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.21 3i2b s THR 58 Cb -0.12 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 3i2b s THR 58 CO 0.01 0.54 0.14 0.68 -0.69 0.00 0.00 174.62 175.29 3i2b s VAL 59 N 0.75 3.80 0.06 3.82 -7.23 0.40 -0.73 120.40 121.27 3i2b s VAL 59 Ca -0.08 -1.60 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 3i2b s VAL 59 Cb -0.16 -3.13 -0.03 0.00 0.56 0.00 0.00 36.38 33.62 3i2b s VAL 59 CO -0.00 -0.31 0.03 -1.38 -0.31 0.00 0.00 175.10 173.13 3i2b s HIS 60 N -2.26 0.45 -4.75 2.82 -3.43 0.04 -1.16 115.29 107.00 3i2b s HIS 60 Ca 0.34 -0.96 0.00 0.00 -0.80 0.00 0.00 55.06 53.65 3i2b s HIS 60 Cb -0.06 -0.31 0.00 0.00 -1.43 0.00 0.00 32.58 30.78 3i2b s HIS 60 CO 0.23 -0.43 0.00 0.41 -2.00 0.00 0.00 174.74 172.95 3i2b n GLY 61 N 0.05 -1.88 3.76 -1.38 0.00 -1.02 -4.65 105.19 100.07 3i2b n GLY 61 Ca -0.14 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 3i2b n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i2b s GLU 62 N -1.93 4.63 -0.29 1.61 2.12 -1.26 -1.43 118.70 122.13 3i2b s GLU 62 Ca 0.00 1.82 -0.29 0.00 0.36 0.00 0.00 54.97 56.86 3i2b s GLU 62 Cb 0.00 -3.18 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 3i2b s GLU 62 CO 0.00 0.19 1.53 0.42 -0.54 0.00 0.00 175.26 176.87 3i2b s ILE 63 N -1.17 3.80 0.02 -3.70 1.01 0.20 -4.38 121.20 116.99 3i2b s ILE 63 Ca 0.45 0.88 -0.30 0.00 0.00 0.00 0.00 60.65 61.67 3i2b s ILE 63 Cb -0.32 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.16 3i2b s ILE 63 CO 0.41 -0.45 1.94 -0.62 0.00 0.00 0.00 174.94 176.23 3i2b s ASP 64 N 4.14 6.44 0.57 3.58 -1.08 -0.27 -4.72 116.67 125.32 3i2b s ASP 64 Ca 0.67 2.61 0.29 0.00 -0.52 0.00 0.00 52.55 55.60 3i2b s ASP 64 Cb -0.20 -2.53 1.70 0.00 -1.46 0.00 0.00 42.92 40.42 3i2b s ASP 64 CO 0.29 -1.07 2.19 1.55 0.52 0.00 0.00 175.17 178.66 3i2b h PRO 65 N 10.61 0.00 0.04 4.34 0.13 -1.93 0.41 132.00 145.60 3i2b h PRO 65 Ca -0.48 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.36 3i2b h PRO 65 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 3i2b h PRO 65 CO 0.94 0.05 -1.59 0.00 -0.23 0.00 0.00 178.00 177.17 3i2b h ALA 66 N 1.95 0.56 0.00 -0.56 0.00 -1.97 -3.40 119.26 115.85 3i2b h ALA 66 Ca -0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 54.91 53.57 3i2b h ALA 66 Cb 0.12 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3i2b h ALA 66 CO 0.01 1.41 -1.63 0.25 0.00 0.00 0.00 179.25 179.28 3i2b n THR 67 N -3.23 0.18 -0.92 0.00 -2.24 -1.06 -5.00 114.28 102.00 3i2b n THR 67 Ca -0.16 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3i2b n THR 67 Cb 1.03 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3i2b n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2b n GLY 68 N 1.89 0.45 3.07 3.38 0.00 0.14 -5.01 105.19 109.11 3i2b n GLY 68 Ca -0.06 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 3i2b n GLY 68 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i2b s MET 69 N -1.40 0.75 -0.17 1.61 -1.94 -1.23 -4.82 119.30 112.11 3i2b s MET 69 Ca 0.00 -0.53 -0.22 0.00 -1.71 0.00 0.00 55.69 53.23 3i2b s MET 69 Cb 0.00 -0.71 -0.23 0.00 2.01 0.00 0.00 34.83 35.91 3i2b s MET 69 CO 0.00 0.18 0.44 0.28 -0.01 0.00 0.00 175.02 175.91 3i2b h VAL 70 N 4.72 1.17 -3.37 -6.03 2.07 -1.92 -0.70 116.25 112.18 3i2b h VAL 70 Ca -0.34 -2.27 -0.15 0.00 0.82 0.00 0.00 66.70 64.76 3i2b h VAL 70 Cb 1.18 2.64 -0.22 0.00 -1.52 0.00 0.00 31.29 33.37 3i2b h VAL 70 CO 0.46 0.48 -0.46 -0.32 0.02 0.00 0.00 177.57 177.76 3i2b s MET 71 N -2.35 0.43 0.00 1.57 1.75 -1.26 -4.87 119.30 114.58 3i2b s MET 71 Ca -0.24 -0.18 -0.30 0.00 -1.25 0.00 0.00 55.69 53.72 3i2b s MET 71 Cb 0.03 0.19 -0.06 0.00 2.84 0.00 0.00 34.83 37.83 3i2b s MET 71 CO 0.66 -0.10 1.47 1.21 -0.65 0.00 0.00 175.02 177.61 3i2b s ASN 72 N -0.94 6.79 0.01 1.11 3.84 -1.26 -4.89 114.94 119.59 3i2b s ASN 72 Ca -0.10 2.18 0.15 0.00 0.21 0.00 0.00 52.86 55.30 3i2b s ASN 72 Cb -0.05 -2.56 0.62 0.00 -0.55 0.00 0.00 41.25 38.71 3i2b s ASN 72 CO 0.02 -0.78 1.47 0.18 -2.79 0.00 0.00 177.10 175.20 3i2b n LEU 73 N 5.65 0.02 -0.08 3.21 4.77 -1.26 -0.62 117.00 128.69 3i2b n LEU 73 Ca 0.14 0.50 -0.12 0.00 -0.03 0.00 0.00 56.01 56.51 3i2b n LEU 73 Cb 0.43 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 3i2b n LEU 73 CO 0.60 -0.26 0.70 0.00 -1.33 0.00 0.00 177.39 177.09 3i2b h ALA 74 N 2.49 0.31 0.24 -1.18 0.00 -2.00 -2.23 119.26 116.89 3i2b h ALA 74 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3i2b h ALA 74 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i2b h ALA 74 CO 0.00 0.11 -0.11 -0.44 0.00 0.00 0.00 179.25 178.81 3i2b h ASP 75 N 0.17 -0.27 -0.84 0.00 5.19 -1.25 -2.66 116.42 116.76 3i2b h ASP 75 Ca 0.06 -0.04 0.05 0.00 -0.62 0.00 0.00 57.03 56.47 3i2b h ASP 75 Cb 0.53 0.07 -0.05 0.00 0.18 0.00 0.00 39.33 40.06 3i2b h ASP 75 CO 0.02 -0.13 0.55 0.25 -3.12 0.00 0.00 179.24 176.81 3i2b h LEU 76 N -0.39 0.87 -0.22 1.55 5.85 -1.28 -1.10 115.31 120.60 3i2b h LEU 76 Ca -0.03 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.72 3i2b h LEU 76 Cb 0.30 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3i2b h LEU 76 CO 0.05 0.58 -0.03 0.50 -0.34 0.00 0.00 178.44 179.20 3i2b h LYS 77 N 1.00 0.03 -0.12 1.25 3.64 -1.27 -1.97 116.57 119.13 3i2b h LYS 77 Ca 0.35 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 3i2b h LYS 77 Cb 0.11 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3i2b h LYS 77 CO -0.11 0.02 0.01 0.87 -2.27 0.00 0.00 179.45 177.96 3i2b h LYS 78 N 0.03 0.20 -0.94 1.90 1.57 -0.93 -0.52 116.57 117.88 3i2b h LYS 78 Ca 0.10 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 3i2b h LYS 78 Cb 0.15 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 3i2b h LYS 78 CO -0.20 0.43 0.60 1.88 -0.57 0.00 0.00 179.45 181.58 3i2b h TYR 79 N -0.05 1.11 -0.13 -1.35 0.05 -1.23 0.02 116.97 115.38 3i2b h TYR 79 Ca 0.03 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.69 3i2b h TYR 79 Cb 0.33 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 3i2b h TYR 79 CO 0.03 0.56 -0.57 0.52 -1.05 0.00 0.00 178.16 177.65 3i2b h MET 80 N 1.08 0.41 -0.76 4.88 2.86 -1.26 0.86 114.93 123.01 3i2b h MET 80 Ca 0.41 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3i2b h MET 80 Cb 0.19 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 3i2b h MET 80 CO -0.18 0.87 0.45 1.49 1.06 0.00 0.00 176.91 180.59 3i2b h GLU 81 N 0.31 1.04 -0.02 1.72 4.57 0.45 -0.64 114.58 122.01 3i2b h GLU 81 Ca 0.00 -0.10 -0.26 0.00 -1.18 0.00 0.00 59.36 57.82 3i2b h GLU 81 Cb 1.09 -0.21 0.02 0.00 -0.16 0.00 0.00 28.75 29.48 3i2b h GLU 81 CO 0.10 0.74 -1.01 1.49 -1.18 0.00 0.00 179.01 179.15 3i2b h GLU 82 N 1.04 0.72 0.00 1.92 4.57 -0.85 -1.25 114.58 120.73 3i2b h GLU 82 Ca 0.27 -0.75 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3i2b h GLU 82 Cb -0.02 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3i2b h GLU 82 CO -0.05 1.32 -0.76 0.00 -1.18 0.00 0.00 179.01 178.35 3i2b h ALA 83 N 0.42 0.60 0.00 2.92 0.00 -0.74 -3.40 119.26 119.06 3i2b h ALA 83 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i2b h ALA 83 Cb 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3i2b h ALA 83 CO 0.20 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.56 3i2b n ILE 84 N -2.65 0.76 0.20 0.00 5.41 -0.26 -4.76 119.36 118.05 3i2b n ILE 84 Ca 0.01 0.25 -0.15 0.00 1.00 0.00 0.00 62.75 63.87 3i2b n ILE 84 Cb 0.53 -1.19 -0.08 0.00 -0.71 0.00 0.00 39.64 38.19 3i2b n ILE 84 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 3i2b h MET 85 N 0.00 -0.44 -0.00 0.38 2.86 -1.36 -1.10 114.93 115.27 3i2b h MET 85 Ca 0.00 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3i2b h MET 85 Cb 0.00 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 3i2b h MET 85 CO 0.00 -0.24 -0.20 1.96 1.06 0.00 0.00 176.91 179.49 3i2b h GLN 86 N -0.55 -0.31 0.00 1.72 4.20 -1.45 -0.12 115.11 118.59 3i2b h GLN 86 Ca -0.05 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 3i2b h GLN 86 Cb 0.41 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3i2b h GLN 86 CO 0.08 -0.21 -0.47 -1.00 -0.67 0.00 0.00 178.83 176.56 3i2b h PRO 87 N -0.33 0.00 0.00 1.46 0.13 -1.77 -3.39 132.00 128.11 3i2b h PRO 87 Ca 0.06 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.09 3i2b h PRO 87 Cb 0.40 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 3i2b h PRO 87 CO -0.19 0.47 -1.56 1.28 -0.23 0.00 0.00 178.00 177.77 3i2b n LEU 88 N -3.35 0.00 -4.72 1.56 4.77 -0.42 -4.83 117.00 110.01 3i2b n LEU 88 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 3i2b n LEU 88 Cb 0.65 0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.84 3i2b n LEU 88 CO 0.39 0.13 0.79 -0.62 -1.33 0.00 0.00 177.39 176.75 3i2b s ASP 89 N -3.73 7.24 -1.34 -1.43 2.15 -0.07 -2.96 116.67 116.54 3i2b s ASP 89 Ca -0.04 1.94 -0.04 0.00 0.43 0.00 0.00 52.55 54.84 3i2b s ASP 89 Cb 0.04 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 3i2b s ASP 89 CO 0.39 -0.30 0.91 1.41 -0.17 0.00 0.00 175.17 177.42 3i2b n HIS 90 N 3.29 -2.23 -4.28 -5.34 8.25 0.25 -4.93 115.22 110.22 3i2b n HIS 90 Ca 0.06 0.91 -0.17 0.00 -0.26 0.00 0.00 57.72 58.25 3i2b n HIS 90 Cb 0.48 -4.59 -0.10 0.00 1.12 0.00 0.00 29.99 26.90 3i2b n HIS 90 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3i2b s LYS 91 N -6.02 1.15 -0.37 -0.41 -0.14 -1.16 -5.02 119.74 107.77 3i2b s LYS 91 Ca 0.24 -1.44 -0.17 0.00 -1.36 0.00 0.00 55.97 53.24 3i2b s LYS 91 Cb -0.11 -0.90 0.00 0.00 -1.68 0.00 0.00 37.83 35.14 3i2b s LYS 91 CO 0.78 0.15 0.46 1.21 -0.76 0.00 0.00 175.35 177.19 3i2b s ASN 92 N -3.00 6.25 0.16 2.83 3.84 -1.26 -1.30 114.94 122.46 3i2b s ASN 92 Ca 0.16 -0.25 -0.15 0.00 0.21 0.00 0.00 52.86 52.83 3i2b s ASN 92 Cb -0.01 -2.24 0.08 0.00 -0.55 0.00 0.00 41.25 38.53 3i2b s ASN 92 CO 0.04 -0.49 1.76 -0.07 -2.79 0.00 0.00 177.10 175.55 3i2b h LEU 93 N 9.03 0.22 -0.69 3.21 3.38 -1.13 0.29 115.31 129.63 3i2b h LEU 93 Ca -0.28 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3i2b h LEU 93 Cb 1.12 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3i2b h LEU 93 CO 0.76 0.17 -0.32 0.44 0.09 0.00 0.00 178.44 179.58 3i2b h ASP 94 N 0.35 0.00 0.00 -0.43 3.32 -1.85 -2.79 116.42 115.02 3i2b h ASP 94 Ca 0.18 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.03 3i2b h ASP 94 Cb 0.13 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 3i2b h ASP 94 CO -0.16 0.32 -1.88 0.23 -1.72 0.00 0.00 179.24 176.03 3i2b n MET 95 N -3.34 1.52 -0.01 3.56 2.81 -1.07 -4.37 117.12 116.22 3i2b n MET 95 Ca 0.01 -0.03 0.10 0.00 -1.81 0.00 0.00 57.70 55.96 3i2b n MET 95 Cb 0.54 -1.35 -0.15 0.00 -0.71 0.00 0.00 33.22 31.55 3i2b n MET 95 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3i2b n ASP 96 N -2.40 0.44 -4.27 7.83 8.00 0.10 -4.84 116.55 121.42 3i2b n ASP 96 Ca -0.18 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.92 3i2b n ASP 96 Cb 0.83 1.89 -0.11 0.00 -0.02 0.00 0.00 41.12 43.71 3i2b n ASP 96 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i2b s VAL 97 N -3.36 4.08 0.31 2.53 1.01 -1.05 -4.99 120.40 118.93 3i2b s VAL 97 Ca -0.07 -1.35 0.08 0.00 0.00 0.00 0.00 61.98 60.63 3i2b s VAL 97 Cb 0.13 -3.46 0.31 0.00 0.00 0.00 0.00 36.38 33.35 3i2b s VAL 97 CO 0.83 -0.43 1.77 -0.65 0.00 0.00 0.00 175.10 176.62 3i2b h PRO 98 N 8.34 0.68 -1.01 2.72 0.11 -1.88 -0.80 132.00 140.16 3i2b h PRO 98 Ca -0.22 -0.04 0.24 0.00 0.11 0.00 0.00 66.00 66.09 3i2b h PRO 98 Cb 1.08 -0.15 -0.11 0.00 0.11 0.00 0.00 31.00 31.93 3i2b h PRO 98 CO 0.71 0.45 0.63 -0.92 -0.21 0.00 0.00 178.00 178.66 3i2b h TYR 99 N 0.70 0.86 -0.31 0.65 5.03 -1.94 -0.95 116.97 121.01 3i2b h TYR 99 Ca 0.59 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.93 3i2b h TYR 99 Cb 1.00 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 39.03 3i2b h TYR 99 CO -0.00 0.10 0.00 1.19 -1.32 0.00 0.00 178.16 178.13 3i2b n PHE 100 N -4.74 0.56 -0.10 -3.82 3.72 -0.30 -3.79 117.46 108.98 3i2b n PHE 100 Ca 0.25 -0.24 -0.02 0.00 -0.05 0.00 0.00 57.45 57.39 3i2b n PHE 100 Cb 0.76 -0.07 0.23 0.00 -0.94 0.00 0.00 39.48 39.47 3i2b n PHE 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i2b h ALA 101 N 3.44 1.29 -0.04 4.37 0.00 -1.27 -3.29 119.26 123.76 3i2b h ALA 101 Ca 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 3i2b h ALA 101 Cb 0.61 -0.20 -0.28 0.00 0.00 0.00 0.00 17.79 17.92 3i2b h ALA 101 CO 0.05 0.50 -0.88 -0.40 0.00 0.00 0.00 179.25 178.52 3i2b n ASP 102 N -4.29 1.34 -4.03 0.00 5.68 -1.25 -5.01 116.55 108.98 3i2b n ASP 102 Ca 0.03 -2.61 -0.22 0.00 -0.50 0.00 0.00 54.79 51.50 3i2b n ASP 102 Cb 0.21 -0.38 -0.16 0.00 -1.14 0.00 0.00 41.12 39.66 3i2b n ASP 102 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3i2b s VAL 103 N -1.27 0.93 0.15 2.12 1.01 -1.24 -5.02 120.40 117.08 3i2b s VAL 103 Ca 0.35 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 3i2b s VAL 103 Cb 0.38 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.84 3i2b s VAL 103 CO -0.13 0.29 1.48 -0.69 0.00 0.00 0.00 175.10 176.05 3i2b s VAL 104 N 0.24 2.93 -0.23 2.92 1.01 -1.26 -4.63 120.40 121.37 3i2b s VAL 104 Ca -0.05 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 3i2b s VAL 104 Cb -0.10 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3i2b s VAL 104 CO 0.01 0.06 2.90 -1.54 0.00 0.00 0.00 175.10 176.52 3i2b n SER 105 N 3.88 5.93 -4.75 3.32 3.41 -1.26 -4.67 113.62 119.48 3i2b n SER 105 Ca 0.12 -2.85 -0.32 0.00 -0.26 0.00 0.00 58.87 55.56 3i2b n SER 105 Cb 0.40 -1.26 0.09 0.00 -0.26 0.00 0.00 64.21 63.18 3i2b n SER 105 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3i2b s THR 106 N -0.89 3.08 0.34 6.66 -4.23 -1.26 -4.82 115.64 114.51 3i2b s THR 106 Ca 0.52 0.39 0.01 0.00 -1.18 0.00 0.00 61.69 61.43 3i2b s THR 106 Cb 0.31 -2.83 0.26 0.00 1.34 0.00 0.00 72.50 71.58 3i2b s THR 106 CO -0.09 -0.42 2.00 0.74 -0.54 0.00 0.00 174.62 176.31 3i2b h THR 107 N -0.93 1.18 -0.42 3.99 2.02 -1.99 -0.63 112.91 116.12 3i2b h THR 107 Ca -0.44 -0.32 0.07 0.00 0.77 0.00 0.00 66.41 66.48 3i2b h THR 107 Cb 1.24 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 3i2b h THR 107 CO 0.50 0.17 0.09 -0.33 0.37 0.00 0.00 175.52 176.32 3i2b h GLU 108 N 0.93 0.21 0.00 6.66 3.07 -1.95 -0.29 114.58 123.21 3i2b h GLU 108 Ca 0.25 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 59.00 3i2b h GLU 108 Cb -0.11 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 3i2b h GLU 108 CO -0.05 0.14 -0.49 -0.91 -1.40 0.00 0.00 179.01 176.29 3i2b h ASN 109 N 0.22 0.00 -0.59 1.42 2.35 -1.46 -2.21 115.58 115.31 3i2b h ASN 109 Ca 0.21 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 3i2b h ASN 109 Cb 0.25 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3i2b h ASN 109 CO -0.27 0.49 -0.00 0.58 -1.65 0.00 0.00 177.43 176.58 3i2b h VAL 110 N 0.00 1.26 -0.61 2.81 2.07 -0.65 -0.75 116.25 120.37 3i2b h VAL 110 Ca -0.00 -1.15 -0.09 0.00 0.82 0.00 0.00 66.70 66.28 3i2b h VAL 110 Cb 1.05 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3i2b h VAL 110 CO 0.06 0.42 0.04 0.00 0.02 0.00 0.00 177.57 178.11 3i2b h ALA 111 N 1.02 0.90 -0.30 1.67 0.00 -0.65 -1.11 119.26 120.80 3i2b h ALA 111 Ca 0.17 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3i2b h ALA 111 Cb 0.56 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3i2b h ALA 111 CO 0.03 0.66 -0.09 0.28 0.00 0.00 0.00 179.25 180.13 3i2b h VAL 112 N 0.97 1.28 -0.41 0.00 2.07 -1.35 -1.02 116.25 117.79 3i2b h VAL 112 Ca 0.18 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.61 3i2b h VAL 112 Cb 0.51 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3i2b h VAL 112 CO 0.02 0.36 0.18 0.22 0.02 0.00 0.00 177.57 178.38 3i2b h TYR 113 N 0.35 0.32 -0.42 1.57 3.20 -0.84 0.16 116.97 121.32 3i2b h TYR 113 Ca 0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3i2b h TYR 113 Cb 0.58 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3i2b h TYR 113 CO 0.05 0.15 0.22 0.82 -1.64 0.00 0.00 178.16 177.76 3i2b h ILE 114 N 0.37 1.17 -0.18 1.81 2.04 -1.08 -0.35 117.51 121.28 3i2b h ILE 114 Ca 0.18 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.64 3i2b h ILE 114 Cb 0.13 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 3i2b h ILE 114 CO -0.16 0.18 -0.12 -0.25 0.00 0.00 0.00 178.15 177.80 3i2b h TRP 115 N 0.54 -0.29 -0.64 1.37 2.91 -0.66 -0.93 115.95 118.26 3i2b h TRP 115 Ca 0.15 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.15 3i2b h TRP 115 Cb 0.09 0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 28.87 3i2b h TRP 115 CO -0.02 -0.18 0.24 -0.44 -1.03 0.00 0.00 178.44 177.01 3i2b h ASP 116 N -0.12 0.89 -0.40 2.65 3.32 -0.62 -0.88 116.42 121.26 3i2b h ASP 116 Ca 0.11 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3i2b h ASP 116 Cb 0.28 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3i2b h ASP 116 CO -0.26 0.83 0.23 0.78 -1.72 0.00 0.00 179.24 179.10 3i2b h ASN 117 N 0.90 0.50 -0.79 6.45 4.21 -0.76 -2.64 115.58 123.45 3i2b h ASN 117 Ca 0.21 -0.08 -0.03 0.00 1.21 0.00 0.00 56.30 57.61 3i2b h ASN 117 Cb 0.23 -0.13 -0.04 0.00 -1.12 0.00 0.00 38.32 37.26 3i2b h ASN 117 CO -0.01 0.44 0.38 -0.07 -1.29 0.00 0.00 177.43 176.88 3i2b h LEU 118 N 0.52 1.04 -2.13 1.61 3.38 -0.90 -2.44 115.31 116.38 3i2b h LEU 118 Ca 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3i2b h LEU 118 Cb 0.04 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3i2b h LEU 118 CO -0.02 0.88 -0.03 1.56 0.09 0.00 0.00 178.44 180.92 3i2b h GLN 119 N 1.12 0.00 0.00 1.13 1.08 -0.92 -0.20 115.11 117.32 3i2b h GLN 119 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 3i2b h GLN 119 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 3i2b h GLN 119 CO -0.03 0.03 0.00 1.63 -0.95 0.00 0.00 178.83 179.50 3i2b n LYS 120 N -3.20 0.89 0.00 1.46 5.02 -0.92 -4.04 118.16 117.37 3i2b n LYS 120 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3i2b n LYS 120 Cb 0.20 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3i2b n LYS 120 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3i2b n VAL 121 N -0.93 0.00 -2.64 -0.18 0.24 -0.41 -5.10 118.33 109.32 3i2b n VAL 121 Ca 0.18 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.15 3i2b n VAL 121 Cb 0.08 -0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 32.14 3i2b n VAL 121 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i2b s LEU 122 N -1.93 3.84 0.33 1.34 1.43 -0.22 -5.00 118.68 118.48 3i2b s LEU 122 Ca 0.00 1.75 -0.27 0.00 -1.03 0.00 0.00 54.13 54.58 3i2b s LEU 122 Cb 0.00 -4.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.55 3i2b s LEU 122 CO 0.00 -0.56 1.01 -2.65 0.23 0.00 0.00 176.35 174.38 3i2b n PRO 123 N -0.95 1.38 -1.70 1.29 -0.02 -1.26 -4.89 135.00 128.85 3i2b n PRO 123 Ca 0.08 0.49 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 3i2b n PRO 123 Cb 0.54 -1.91 0.04 0.00 -0.02 0.00 0.00 33.50 32.15 3i2b n PRO 123 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3i2b n VAL 124 N 0.00 3.76 -0.99 -1.45 0.31 -1.26 -2.98 118.33 115.72 3i2b n VAL 124 Ca 0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3i2b n VAL 124 Cb 0.34 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 3i2b n VAL 124 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i2b n GLY 125 N 0.95 0.34 0.13 2.92 0.00 -1.26 -4.89 105.19 103.39 3i2b n GLY 125 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 3i2b n GLY 125 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i2b n VAL 126 N -2.60 1.59 -1.93 1.61 0.31 -1.16 -4.83 118.33 111.32 3i2b n VAL 126 Ca 0.00 -0.55 -0.42 0.00 -0.01 0.00 0.00 64.34 63.36 3i2b n VAL 126 Cb 0.17 -1.60 -0.03 0.00 -0.91 0.00 0.00 33.84 31.47 3i2b n VAL 126 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3i2b s LEU 127 N -6.86 4.37 -0.11 7.52 2.96 -1.26 -0.78 118.68 124.52 3i2b s LEU 127 Ca -0.31 2.56 -0.02 0.00 -0.22 0.00 0.00 54.13 56.14 3i2b s LEU 127 Cb 0.09 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.13 3i2b s LEU 127 CO 0.64 -0.85 -0.12 0.00 -1.32 0.00 0.00 176.35 174.69 3i2b n TYR 128 N 4.70 0.00 -3.64 5.38 9.36 0.09 -4.84 117.16 128.20 3i2b n TYR 128 Ca 0.15 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.22 3i2b n TYR 128 Cb 0.39 -0.43 -0.08 0.00 -0.63 0.00 0.00 39.34 38.60 3i2b n TYR 128 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3i2b s LYS 129 N -2.22 0.79 -0.13 2.98 2.20 -0.78 -4.61 119.74 117.96 3i2b s LYS 129 Ca -0.16 0.63 0.02 0.00 -0.36 0.00 0.00 55.97 56.10 3i2b s LYS 129 Cb 0.05 0.38 0.01 0.00 -1.51 0.00 0.00 37.83 36.76 3i2b s LYS 129 CO 0.23 -0.15 -0.18 0.08 -0.36 0.00 0.00 175.35 174.98 3i2b s VAL 130 N -0.16 1.74 -0.13 4.02 1.01 -0.48 -1.03 120.40 125.38 3i2b s VAL 130 Ca -0.04 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3i2b s VAL 130 Cb -0.03 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3i2b s VAL 130 CO 0.03 0.49 -0.20 -0.75 0.00 0.00 0.00 175.10 174.67 3i2b s LYS 131 N 1.04 3.12 -0.17 2.72 2.20 -0.01 -1.23 119.74 127.42 3i2b s LYS 131 Ca -0.04 -0.82 0.01 0.00 -0.36 0.00 0.00 55.97 54.76 3i2b s LYS 131 Cb -0.15 -2.45 0.01 0.00 -1.51 0.00 0.00 37.83 33.73 3i2b s LYS 131 CO -0.04 0.09 -0.17 0.08 -0.36 0.00 0.00 175.35 174.95 3i2b s VAL 132 N 0.58 2.39 -0.40 4.02 1.01 -0.05 -0.70 120.40 127.26 3i2b s VAL 132 Ca -0.12 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 3i2b s VAL 132 Cb -0.16 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.22 3i2b s VAL 132 CO 0.03 0.52 0.47 -0.31 0.00 0.00 0.00 175.10 175.81 3i2b s TYR 133 N 1.06 3.16 0.16 5.22 1.51 0.35 -0.68 117.35 128.14 3i2b s TYR 133 Ca -0.01 -0.18 -0.07 0.00 -1.01 0.00 0.00 57.07 55.80 3i2b s TYR 133 Cb -0.14 -2.92 0.01 0.00 -0.11 0.00 0.00 41.96 38.79 3i2b s TYR 133 CO -0.05 -0.65 1.45 1.49 -1.11 0.00 0.00 175.55 176.68 3i2b h GLU 134 N 8.66 0.72 -4.64 -0.62 4.81 -1.62 -1.79 114.58 120.11 3i2b h GLU 134 Ca -0.27 -0.46 -0.38 0.00 -0.13 0.00 0.00 59.36 58.12 3i2b h GLU 134 Cb 1.12 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.43 3i2b h GLU 134 CO 0.79 1.08 -0.43 0.95 -0.73 0.00 0.00 179.01 180.67 3i2b s THR 135 N -4.06 0.00 0.55 0.32 -4.23 -1.22 -4.55 115.64 102.45 3i2b s THR 135 Ca -0.09 -1.89 0.26 0.00 -1.18 0.00 0.00 61.69 58.79 3i2b s THR 135 Cb 0.11 -2.53 0.38 0.00 1.34 0.00 0.00 72.50 71.80 3i2b s THR 135 CO 0.87 0.00 2.01 0.44 -0.54 0.00 0.00 174.62 177.40 3i2b h ASP 136 N 2.21 0.00 -0.04 3.99 3.32 -1.93 -3.12 116.42 120.86 3i2b h ASP 136 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3i2b h ASP 136 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3i2b h ASP 136 CO 0.40 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.51 3i2b n ASN 137 N -4.19 1.87 -3.88 6.45 3.02 -1.26 -4.91 115.26 112.36 3i2b n ASN 137 Ca 0.07 -1.44 -0.28 0.00 -0.03 0.00 0.00 54.58 52.90 3i2b n ASN 137 Cb 0.53 -0.02 -0.16 0.00 -0.61 0.00 0.00 39.78 39.52 3i2b n ASN 137 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i2b s ASN 138 N -0.81 2.93 0.03 6.41 0.01 -1.18 -5.10 114.94 117.22 3i2b s ASN 138 Ca 0.12 -0.72 0.05 0.00 -0.71 0.00 0.00 52.86 51.60 3i2b s ASN 138 Cb 0.08 -0.90 -0.02 0.00 0.41 0.00 0.00 41.25 40.82 3i2b s ASN 138 CO 0.12 -0.20 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.72 3i2b s ILE 139 N 1.64 1.23 -0.02 0.60 1.01 -1.26 -1.71 121.20 122.69 3i2b s ILE 139 Ca -0.00 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.78 3i2b s ILE 139 Cb -0.16 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 3i2b s ILE 139 CO -0.07 0.14 -0.21 -0.69 0.00 0.00 0.00 174.94 174.11 3i2b s VAL 140 N -0.69 1.63 -0.09 2.92 1.01 0.15 -5.00 120.40 120.33 3i2b s VAL 140 Ca 0.04 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.18 3i2b s VAL 140 Cb -0.07 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.95 3i2b s VAL 140 CO 0.01 0.46 -0.21 -0.69 0.00 0.00 0.00 175.10 174.67 3i2b s VAL 141 N -0.44 1.84 -0.04 2.92 1.01 -1.26 -0.87 120.40 123.57 3i2b s VAL 141 Ca 0.07 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.20 3i2b s VAL 141 Cb -0.08 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 3i2b s VAL 141 CO -0.00 0.51 -0.18 -0.47 0.00 0.00 0.00 175.10 174.95 3i2b s TYR 142 N 0.37 1.79 -0.04 5.22 5.04 -0.36 -5.01 117.35 124.35 3i2b s TYR 142 Ca -0.17 -0.47 0.06 0.00 -2.44 0.00 0.00 57.07 54.05 3i2b s TYR 142 Cb -0.17 -1.18 0.09 0.00 0.35 0.00 0.00 41.96 41.04 3i2b s TYR 142 CO 0.07 -0.13 0.96 1.63 -1.34 0.00 0.00 175.55 176.74 3i2b n LYS 143 N 2.97 1.58 -0.92 4.97 5.02 -1.26 -1.38 118.16 129.14 3i2b n LYS 143 Ca -0.17 -1.58 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 3i2b n LYS 143 Cb 0.53 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 3i2b n LYS 143 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i2b n GLY 144 N -0.63 0.50 0.60 0.72 0.00 -1.26 -4.91 105.19 100.20 3i2b n GLY 144 Ca 0.05 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.80 3i2b n GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50