#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 1.61 -0.03 -0.14 1.81 -1.26 -5.02 118.95 115.92 3i2b s ARG 9 Ca 0.00 -0.68 0.02 0.00 -1.72 0.00 0.00 55.73 53.34 3i2b s ARG 9 Cb 0.00 -1.53 0.01 0.00 -0.45 0.00 0.00 34.95 32.99 3i2b s ARG 9 CO 0.00 0.39 -0.05 0.00 -0.68 0.00 0.00 175.30 174.96 3i2b s GLN 11 N 0.46 3.05 0.13 0.00 -1.52 -1.26 0.04 119.66 120.56 3i2b s GLN 11 Ca -0.06 -0.58 -0.16 0.00 -1.95 0.00 0.00 55.36 52.61 3i2b s GLN 11 Cb -0.10 -2.83 0.04 0.00 -0.22 0.00 0.00 33.01 29.90 3i2b s GLN 11 CO 0.00 0.60 0.40 0.00 -0.25 0.00 0.00 175.29 176.04 3i2b s ALA 12 N -1.36 -0.94 -0.12 6.09 0.00 -0.42 -4.89 121.76 120.14 3i2b s ALA 12 Ca 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.17 3i2b s ALA 12 Cb -0.12 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 3i2b s ALA 12 CO 0.21 -0.65 -0.01 -0.65 0.00 0.00 0.00 175.76 174.66 3i2b s GLN 13 N -3.80 3.28 -0.06 0.00 -0.21 -1.26 -2.18 119.66 115.42 3i2b s GLN 13 Ca 0.03 -0.45 0.03 0.00 0.02 0.00 0.00 55.36 54.99 3i2b s GLN 13 Cb 0.02 -2.85 0.00 0.00 1.00 0.00 0.00 33.01 31.18 3i2b s GLN 13 CO -0.12 0.51 -0.16 0.08 -2.12 0.00 0.00 175.29 173.48 3i2b s VAL 14 N -0.35 1.39 0.10 1.09 1.01 -0.21 -4.99 120.40 118.45 3i2b s VAL 14 Ca 0.06 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.47 3i2b s VAL 14 Cb -0.12 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3i2b s VAL 14 CO 0.02 0.41 -0.21 -0.44 0.00 0.00 0.00 175.10 174.87 3i2b s SER 15 N 0.35 2.61 -0.01 3.32 0.01 -1.26 -0.52 113.70 118.20 3i2b s SER 15 Ca -0.11 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 56.49 3i2b s SER 15 Cb -0.14 -0.15 -0.00 0.00 0.21 0.00 0.00 66.02 65.94 3i2b s SER 15 CO 0.04 0.07 -0.09 -0.60 0.41 0.00 0.00 173.24 173.07 3i2b s ARG 16 N -1.92 0.78 -0.13 12.44 3.52 -0.45 -4.98 118.95 128.22 3i2b s ARG 16 Ca 0.07 -0.32 -0.01 0.00 -0.13 0.00 0.00 55.73 55.34 3i2b s ARG 16 Cb -0.10 -0.75 -0.02 0.00 -1.56 0.00 0.00 34.95 32.52 3i2b s ARG 16 CO 0.04 0.18 -0.08 0.50 -0.81 0.00 0.00 175.30 175.14 3i2b s ARG 17 N -0.13 3.36 0.23 5.12 3.52 -1.26 -1.21 118.95 128.57 3i2b s ARG 17 Ca 0.02 -0.58 0.01 0.00 -0.13 0.00 0.00 55.73 55.06 3i2b s ARG 17 Cb -0.04 -2.75 -0.05 0.00 -1.56 0.00 0.00 34.95 30.55 3i2b s ARG 17 CO -0.00 0.33 0.06 0.96 -0.81 0.00 0.00 175.30 175.84 3i2b s ILE 18 N 0.08 0.61 0.21 4.11 -4.36 0.04 -4.99 121.20 116.90 3i2b s ILE 18 Ca -0.02 -1.99 0.08 0.00 -0.26 0.00 0.00 60.65 58.45 3i2b s ILE 18 Cb -0.14 -2.46 -0.05 0.00 1.25 0.00 0.00 42.46 41.06 3i2b s ILE 18 CO 0.03 -0.16 -0.15 -0.94 0.24 0.00 0.00 174.94 173.96 3i2b s SER 19 N -3.27 2.69 0.02 4.36 1.04 -1.26 -0.23 113.70 117.05 3i2b s SER 19 Ca 0.33 -1.02 -0.09 0.00 0.48 0.00 0.00 55.95 55.64 3i2b s SER 19 Cb 0.07 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.04 3i2b s SER 19 CO 0.10 -0.15 0.19 0.72 0.98 0.00 0.00 173.24 175.08 3i2b s PHE 20 N -2.92 0.01 -0.17 5.02 -0.71 -0.30 -5.00 117.98 113.92 3i2b s PHE 20 Ca 0.23 -0.13 -0.09 0.00 -1.04 0.00 0.00 56.93 55.91 3i2b s PHE 20 Cb -0.01 -0.02 -0.05 0.00 -1.21 0.00 0.00 43.02 41.73 3i2b s PHE 20 CO 0.08 -0.36 0.13 -1.12 -1.34 0.00 0.00 175.22 172.60 3i2b s SER 21 N -1.67 6.24 0.04 1.98 0.01 -1.26 -0.68 113.70 118.36 3i2b s SER 21 Ca -0.11 0.32 -0.17 0.00 1.31 0.00 0.00 55.95 57.30 3i2b s SER 21 Cb -0.04 -2.07 0.03 0.00 0.21 0.00 0.00 66.02 64.15 3i2b s SER 21 CO -0.00 0.27 0.37 0.00 0.41 0.00 0.00 173.24 174.30 3i2b s ALA 22 N -0.21 -0.90 0.24 1.44 0.00 -0.88 0.67 121.76 122.11 3i2b s ALA 22 Ca 0.11 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.35 3i2b s ALA 22 Cb -0.11 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 3i2b s ALA 22 CO 0.01 -0.43 0.18 -1.54 0.00 0.00 0.00 175.76 173.97 3i2b s SER 23 N -1.98 5.50 0.34 0.00 1.04 -0.40 -1.33 113.70 116.87 3i2b s SER 23 Ca -0.06 -0.24 -0.17 0.00 0.48 0.00 0.00 55.95 55.96 3i2b s SER 23 Cb -0.01 -1.40 0.05 0.00 0.10 0.00 0.00 66.02 64.76 3i2b s SER 23 CO -0.02 -0.02 0.80 -1.38 0.98 0.00 0.00 173.24 173.60 3i2b s HIS 24 N -2.07 0.05 -0.08 5.02 -0.00 -0.36 -0.80 115.29 117.05 3i2b s HIS 24 Ca 0.32 -0.66 -0.05 0.00 -0.00 0.00 0.00 55.06 54.68 3i2b s HIS 24 Cb -0.08 0.80 0.03 0.00 -0.00 0.00 0.00 32.58 33.33 3i2b s HIS 24 CO 0.24 -1.44 0.19 0.50 -0.00 0.00 0.00 174.74 174.23 3i2b s ARG 25 N -2.63 0.17 -0.31 -0.38 3.52 -1.26 -1.29 118.95 116.77 3i2b s ARG 25 Ca 0.15 0.39 -0.23 0.00 -0.13 0.00 0.00 55.73 55.90 3i2b s ARG 25 Cb -0.05 -0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.27 3i2b s ARG 25 CO 0.10 -0.12 0.79 -0.51 -0.81 0.00 0.00 175.30 174.75 3i2b s LEU 26 N 0.86 4.09 -0.27 -0.88 1.43 -0.65 -4.63 118.68 118.63 3i2b s LEU 26 Ca -0.06 0.65 -0.17 0.00 -1.03 0.00 0.00 54.13 53.52 3i2b s LEU 26 Cb -0.08 -3.08 0.08 0.00 0.03 0.00 0.00 46.19 43.14 3i2b s LEU 26 CO -0.05 -0.62 0.67 -0.47 0.23 0.00 0.00 176.35 176.11 3i2b s TYR 27 N 2.98 -0.99 -0.19 0.29 5.04 -1.26 -4.19 117.35 119.02 3i2b s TYR 27 Ca 0.32 2.04 -0.01 0.00 -2.44 0.00 0.00 57.07 56.98 3i2b s TYR 27 Cb -0.14 0.55 0.00 0.00 0.35 0.00 0.00 41.96 42.73 3i2b s TYR 27 CO 0.13 -0.49 -0.13 0.45 -1.34 0.00 0.00 175.55 174.17 3i2b s SER 28 N 1.41 3.71 0.00 4.32 0.15 -1.26 -4.65 113.70 117.38 3i2b s SER 28 Ca -0.08 -0.51 0.13 0.00 0.70 0.00 0.00 55.95 56.19 3i2b s SER 28 Cb -0.05 -1.60 0.70 0.00 -1.71 0.00 0.00 66.02 63.36 3i2b s SER 28 CO -0.16 0.01 1.33 2.29 1.20 0.00 0.00 173.24 177.90 3i2b n LYS 29 N 4.59 0.24 0.02 5.44 0.00 -1.26 -2.84 118.16 124.34 3i2b n LYS 29 Ca -0.19 0.13 0.02 0.00 -0.00 0.00 0.00 58.31 58.27 3i2b n LYS 29 Cb 0.51 -1.50 -0.10 0.00 -0.00 0.00 0.00 35.03 33.94 3i2b n LYS 29 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3i2b n PHE 30 N -1.23 0.68 -2.66 5.58 3.72 -1.26 -4.89 117.46 117.41 3i2b n PHE 30 Ca 0.07 0.22 -0.26 0.00 -0.05 0.00 0.00 57.45 57.43 3i2b n PHE 30 Cb 0.09 -0.96 0.01 0.00 -0.94 0.00 0.00 39.48 37.69 3i2b n PHE 30 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3i2b s LEU 31 N -5.46 3.53 0.77 4.37 1.02 -1.13 -5.09 118.68 116.68 3i2b s LEU 31 Ca -0.04 0.73 -0.12 0.00 0.02 0.00 0.00 54.13 54.72 3i2b s LEU 31 Cb 0.09 -3.63 0.05 0.00 0.02 0.00 0.00 46.19 42.73 3i2b s LEU 31 CO 0.83 -0.73 1.10 -0.94 0.02 0.00 0.00 176.35 176.63 3i2b s SER 32 N -4.18 4.83 0.13 2.29 1.04 -1.26 -4.81 113.70 111.75 3i2b s SER 32 Ca 0.49 1.21 -0.23 0.00 0.48 0.00 0.00 55.95 57.90 3i2b s SER 32 Cb -0.10 -1.95 -0.01 0.00 0.10 0.00 0.00 66.02 64.05 3i2b s SER 32 CO 0.43 -1.74 1.64 0.44 0.98 0.00 0.00 173.24 174.99 3i2b h ASP 33 N -0.93 -0.66 -0.65 7.02 3.32 -1.98 0.12 116.42 122.65 3i2b h ASP 33 Ca -0.46 0.11 0.11 0.00 0.02 0.00 0.00 57.03 56.80 3i2b h ASP 33 Cb 1.27 0.30 -0.12 0.00 0.22 0.00 0.00 39.33 41.00 3i2b h ASP 33 CO 0.61 -0.27 -0.38 -0.33 -1.72 0.00 0.00 179.24 177.16 3i2b h GLU 34 N -0.28 -0.15 0.00 3.56 3.07 -1.99 0.85 114.58 119.63 3i2b h GLU 34 Ca 0.10 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.91 3i2b h GLU 34 Cb 0.42 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3i2b h GLU 34 CO -0.28 -0.10 -0.28 0.93 -1.40 0.00 0.00 179.01 177.88 3i2b h GLU 35 N -0.16 0.00 0.12 2.33 5.08 -1.83 -1.49 114.58 118.63 3i2b h GLU 35 Ca 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3i2b h GLU 35 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3i2b h GLU 35 CO -0.73 0.28 -0.06 -0.91 -1.00 0.00 0.00 179.01 176.59 3i2b h ASN 36 N 0.00 -0.13 -0.48 1.42 2.35 0.38 -2.21 115.58 116.90 3i2b h ASN 36 Ca -0.00 -0.31 0.01 0.00 -0.55 0.00 0.00 56.30 55.45 3i2b h ASN 36 Cb 0.90 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.28 3i2b h ASN 36 CO 0.04 0.26 0.31 0.25 -1.65 0.00 0.00 177.43 176.63 3i2b h LEU 37 N -0.54 0.52 -0.90 1.61 5.85 -0.75 0.34 115.31 121.44 3i2b h LEU 37 Ca -0.02 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3i2b h LEU 37 Cb 0.43 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3i2b h LEU 37 CO 0.03 0.37 0.27 0.50 -0.34 0.00 0.00 178.44 179.27 3i2b h LYS 38 N 0.62 1.08 0.19 1.25 3.64 -1.33 0.68 116.57 122.71 3i2b h LYS 38 Ca 0.18 -0.20 -0.28 0.00 -1.27 0.00 0.00 60.65 59.09 3i2b h LYS 38 Cb -0.04 -0.18 0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3i2b h LYS 38 CO -0.06 0.89 -1.26 1.25 -2.27 0.00 0.00 179.45 178.00 3i2b h LEU 39 N 1.05 0.64 0.00 5.20 5.85 -0.99 -3.38 115.31 123.69 3i2b h LEU 39 Ca 0.24 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 58.03 3i2b h LEU 39 Cb 0.22 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3i2b h LEU 39 CO -0.02 1.60 -1.11 0.49 -0.34 0.00 0.00 178.44 179.06 3i2b n PHE 40 N -3.88 0.00 -0.10 1.25 3.72 0.07 -5.05 117.46 113.48 3i2b n PHE 40 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3i2b n PHE 40 Cb 0.98 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 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 1.44 3.07 0.27 1.37 0.00 0.23 -1.95 105.19 109.62 3i2b n GLY 41 Ca 0.02 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.13 3i2b n GLY 41 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i2b h LYS 42 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.67 116.57 118.98 3i2b h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i2b h LYS 42 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3i2b h LYS 42 CO 0.00 0.10 0.00 0.00 -2.00 0.00 0.00 179.45 177.55 3i2b n ASN 44 N -1.91 1.92 -4.66 0.00 2.85 0.23 -1.63 115.26 112.05 3i2b n ASN 44 Ca 0.02 -1.74 -0.61 0.00 -0.11 0.00 0.00 54.58 52.13 3i2b n ASN 44 Cb 0.14 -0.12 -0.08 0.00 1.24 0.00 0.00 39.78 40.96 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 0.49 1.28 -0.27 1.20 5.15 -0.67 -4.82 115.26 117.63 3i2b n ASN 45 Ca 0.17 1.14 0.05 0.00 -0.60 0.00 0.00 54.58 55.34 3i2b n ASN 45 Cb 0.37 -1.00 0.27 0.00 -0.53 0.00 0.00 39.78 38.90 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 5.02 0.92 -0.34 1.20 0.11 -1.94 0.02 132.00 137.00 3i2b h PRO 46 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i2b h PRO 46 Cb 1.37 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i2b h PRO 46 CO 0.87 0.61 0.00 0.09 -0.21 0.00 0.00 178.00 179.36 3i2b n ASN 47 N -4.48 2.16 0.00 -2.05 3.02 -1.26 -5.03 115.26 107.62 3i2b n ASN 47 Ca 0.13 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.77 3i2b n ASN 47 Cb 0.20 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 1.18 -0.13 1.08 7.41 0.00 -0.01 -5.03 105.19 109.69 3i2b n GLY 48 Ca 0.15 -1.91 -0.04 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.27 -0.87 -4.00 1.61 1.44 -0.41 -4.87 115.22 107.85 3i2b n HIS 49 Ca 0.00 -0.71 -0.11 0.00 -2.01 0.00 0.00 57.72 54.89 3i2b n HIS 49 Cb 0.00 0.19 -0.04 0.00 0.12 0.00 0.00 29.99 30.26 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 -1.67 0.77 0.01 -1.39 0.00 -1.26 -1.22 107.32 102.55 3i2b s GLY 50 Ca 0.08 -1.04 -0.11 0.00 0.00 0.00 0.00 44.72 43.66 3i2b s GLY 50 CO 0.06 -0.69 0.22 0.30 0.00 0.00 0.00 173.10 172.99 3i2b s HIS 51 N -3.55 -0.04 -0.80 1.90 3.76 -0.44 -4.99 115.29 111.12 3i2b s HIS 51 Ca 0.24 -0.01 -0.20 0.00 -0.15 0.00 0.00 55.06 54.93 3i2b s HIS 51 Cb -0.01 0.02 0.10 0.00 1.11 0.00 0.00 32.58 33.80 3i2b s HIS 51 CO 0.12 -0.37 1.05 -0.80 -0.85 0.00 0.00 174.74 173.90 3i2b s ASN 52 N -1.55 6.41 0.24 1.40 0.01 -1.26 -2.08 114.94 118.11 3i2b s ASN 52 Ca -0.12 -1.55 -0.30 0.00 -0.71 0.00 0.00 52.86 50.18 3i2b s ASN 52 Cb -0.05 -2.41 -0.09 0.00 0.41 0.00 0.00 41.25 39.11 3i2b s ASN 52 CO 0.01 -1.24 1.18 -0.31 -1.51 0.00 0.00 177.10 175.23 3i2b s TYR 53 N 3.35 3.44 -0.08 2.20 1.51 0.15 -4.75 117.35 123.15 3i2b s TYR 53 Ca 0.28 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.86 3i2b s TYR 53 Cb -0.11 -3.41 -0.03 0.00 -0.11 0.00 0.00 41.96 38.31 3i2b s TYR 53 CO -0.00 -1.05 -0.07 0.15 -1.11 0.00 0.00 175.55 173.47 3i2b s LYS 54 N -0.84 2.92 -0.08 -0.62 1.02 -0.39 -1.15 119.74 120.60 3i2b s LYS 54 Ca 0.49 -0.55 0.03 0.00 0.02 0.00 0.00 55.97 55.97 3i2b s LYS 54 Cb -0.33 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.34 3i2b s LYS 54 CO 0.40 0.58 -0.16 0.08 -0.92 0.00 0.00 175.35 175.33 3i2b s VAL 55 N -0.58 1.44 -0.21 3.17 1.01 0.68 -0.03 120.40 125.88 3i2b s VAL 55 Ca 0.09 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 3i2b s VAL 55 Cb -0.12 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 3i2b s VAL 55 CO 0.02 0.42 -0.06 -0.69 0.00 0.00 0.00 175.10 174.79 3i2b s VAL 56 N 0.56 3.25 -0.19 2.92 1.01 -0.26 -0.78 120.40 126.91 3i2b s VAL 56 Ca -0.16 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 3i2b s VAL 56 Cb -0.17 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3i2b s VAL 56 CO 0.05 0.44 0.04 -0.69 0.00 0.00 0.00 175.10 174.94 3i2b s VAL 57 N 1.37 4.42 -0.14 2.92 1.01 -0.35 -0.93 120.40 128.71 3i2b s VAL 57 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3i2b s VAL 57 Cb -0.14 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 3i2b s VAL 57 CO -0.03 0.43 -0.17 -0.89 0.00 0.00 0.00 175.10 174.44 3i2b s THR 58 N 0.71 2.57 0.29 3.92 2.01 0.02 -1.34 115.64 123.82 3i2b s THR 58 Ca 0.02 -0.82 0.08 0.00 0.31 0.00 0.00 61.69 61.29 3i2b s THR 58 Cb -0.14 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 3i2b s THR 58 CO 0.02 0.53 0.11 0.68 -0.69 0.00 0.00 174.62 175.27 3i2b s VAL 59 N 0.64 3.63 0.11 3.82 -7.23 0.33 -0.99 120.40 120.71 3i2b s VAL 59 Ca -0.09 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 3i2b s VAL 59 Cb -0.16 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 3i2b s VAL 59 CO 0.02 -0.30 0.04 -1.38 -0.31 0.00 0.00 175.10 173.17 3i2b s HIS 60 N -2.29 0.73 -5.00 2.82 -3.43 0.43 -1.05 115.29 107.50 3i2b s HIS 60 Ca 0.34 -1.16 0.00 0.00 -0.80 0.00 0.00 55.06 53.44 3i2b s HIS 60 Cb -0.06 -0.43 0.00 0.00 -1.43 0.00 0.00 32.58 30.66 3i2b s HIS 60 CO 0.23 -0.48 0.00 0.41 -2.00 0.00 0.00 174.74 172.89 3i2b n GLY 61 N -0.03 -1.14 3.76 -1.38 0.00 -0.93 -4.63 105.19 100.84 3i2b n GLY 61 Ca -0.08 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.00 4.76 -0.13 1.61 2.12 -1.26 -1.29 118.70 122.51 3i2b s GLU 62 Ca 0.00 1.48 -0.29 0.00 0.36 0.00 0.00 54.97 56.52 3i2b s GLU 62 Cb 0.00 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 3i2b s GLU 62 CO 0.00 0.42 1.29 0.42 -0.54 0.00 0.00 175.26 176.85 3i2b s ILE 63 N -1.29 4.18 -0.06 -3.70 1.01 0.11 -4.29 121.20 117.16 3i2b s ILE 63 Ca 0.44 1.46 -0.30 0.00 0.00 0.00 0.00 60.65 62.25 3i2b s ILE 63 Cb -0.25 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 3i2b s ILE 63 CO 0.31 -0.10 1.60 -0.62 0.00 0.00 0.00 174.94 176.13 3i2b s ASP 64 N 1.99 6.70 0.58 3.58 -1.08 0.30 -4.70 116.67 124.04 3i2b s ASP 64 Ca 0.57 2.18 0.31 0.00 -0.52 0.00 0.00 52.55 55.09 3i2b s ASP 64 Cb -0.24 -2.54 1.76 0.00 -1.46 0.00 0.00 42.92 40.45 3i2b s ASP 64 CO 0.18 -0.90 2.20 1.55 0.52 0.00 0.00 175.17 178.72 3i2b h PRO 65 N 9.29 0.00 0.09 4.34 0.13 -1.93 0.48 132.00 144.40 3i2b h PRO 65 Ca -0.38 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.43 3i2b h PRO 65 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3i2b h PRO 65 CO 0.95 0.04 -1.73 0.00 -0.23 0.00 0.00 178.00 177.04 3i2b h ALA 66 N 1.96 0.46 0.00 -0.56 0.00 -1.97 -3.41 119.26 115.74 3i2b h ALA 66 Ca -0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 54.91 53.59 3i2b h ALA 66 Cb 0.13 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i2b h ALA 66 CO 0.01 1.32 -1.92 0.25 0.00 0.00 0.00 179.25 178.91 3i2b n THR 67 N -3.35 0.08 -1.00 0.00 -2.24 -1.03 -4.99 114.28 101.75 3i2b n THR 67 Ca -0.21 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3i2b n THR 67 Cb 1.05 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.42 0.60 3.39 3.38 0.00 0.13 -4.99 105.19 109.12 3i2b n GLY 68 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.01 1.41 0.01 1.61 -1.94 -1.26 -4.70 119.30 114.42 3i2b s MET 69 Ca 0.00 -1.42 -0.02 0.00 -1.71 0.00 0.00 55.69 52.54 3i2b s MET 69 Cb 0.00 -1.74 -0.27 0.00 2.01 0.00 0.00 34.83 34.83 3i2b s MET 69 CO 0.00 0.39 0.87 0.28 -0.01 0.00 0.00 175.02 176.55 3i2b h VAL 70 N 3.50 1.17 -1.73 -6.03 2.07 -1.92 0.87 116.25 114.18 3i2b h VAL 70 Ca -0.47 -2.83 0.03 0.00 0.82 0.00 0.00 66.70 64.26 3i2b h VAL 70 Cb 1.19 2.75 -0.24 0.00 -1.52 0.00 0.00 31.29 33.47 3i2b h VAL 70 CO 0.45 0.81 0.33 -0.32 0.02 0.00 0.00 177.57 178.86 3i2b s MET 71 N -2.62 0.60 0.12 1.57 1.75 -1.26 -4.87 119.30 114.59 3i2b s MET 71 Ca -0.08 0.76 -0.31 0.00 -1.25 0.00 0.00 55.69 54.81 3i2b s MET 71 Cb 0.07 0.27 -0.10 0.00 2.84 0.00 0.00 34.83 37.91 3i2b s MET 71 CO 0.85 -0.08 1.78 1.21 -0.65 0.00 0.00 175.02 178.13 3i2b s ASN 72 N 0.46 6.46 0.56 1.11 3.84 -1.26 -4.90 114.94 121.21 3i2b s ASN 72 Ca 0.00 2.72 0.37 0.00 0.21 0.00 0.00 52.86 56.16 3i2b s ASN 72 Cb -0.05 -2.57 1.76 0.00 -0.55 0.00 0.00 41.25 39.84 3i2b s ASN 72 CO -0.06 -0.98 2.10 -0.07 -2.79 0.00 0.00 177.10 175.31 3i2b h LEU 73 N 8.40 0.00 -0.81 3.21 3.38 -2.00 -0.34 115.31 127.15 3i2b h LEU 73 Ca -0.45 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 3i2b h LEU 73 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3i2b h LEU 73 CO 0.94 0.00 0.24 0.00 0.09 0.00 0.00 178.44 179.71 3i2b h ALA 74 N 2.02 1.04 -0.12 1.53 0.00 -1.99 -0.35 119.26 121.38 3i2b h ALA 74 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3i2b h ALA 74 Cb 0.26 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3i2b h ALA 74 CO 0.00 0.65 0.00 -0.44 0.00 0.00 0.00 179.25 179.47 3i2b h ASP 75 N 1.08 0.21 0.26 0.00 3.32 -1.47 -2.87 116.42 116.95 3i2b h ASP 75 Ca 0.24 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 3i2b h ASP 75 Cb 0.29 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3i2b h ASP 75 CO -0.01 0.46 -0.34 0.25 -1.72 0.00 0.00 179.24 177.88 3i2b h LEU 76 N -0.05 0.13 -0.48 1.55 5.85 -1.14 -0.91 115.31 120.26 3i2b h LEU 76 Ca 0.04 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 3i2b h LEU 76 Cb 0.35 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3i2b h LEU 76 CO 0.01 0.47 -0.43 0.50 -0.34 0.00 0.00 178.44 178.65 3i2b h LYS 77 N 0.11 0.77 -0.31 1.25 1.63 -1.07 -1.75 116.57 117.21 3i2b h LYS 77 Ca 0.01 -0.42 -0.11 0.00 -0.85 0.00 0.00 60.65 59.28 3i2b h LYS 77 Cb 0.66 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 3i2b h LYS 77 CO 0.05 1.05 -0.23 0.87 -3.45 0.00 0.00 179.45 177.74 3i2b h LYS 78 N 0.62 0.70 -0.76 1.90 6.56 -1.09 0.88 116.57 125.38 3i2b h LYS 78 Ca 0.04 -0.34 -0.03 0.00 -1.06 0.00 0.00 60.65 59.26 3i2b h LYS 78 Cb 0.99 -0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.61 3i2b h LYS 78 CO 0.09 0.95 0.35 1.88 -2.06 0.00 0.00 179.45 180.67 3i2b h TYR 79 N 0.45 1.08 -0.05 -1.35 0.05 -1.10 -0.89 116.97 115.16 3i2b h TYR 79 Ca 0.06 -0.05 -0.16 0.00 0.05 0.00 0.00 58.73 58.63 3i2b h TYR 79 Cb 0.78 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 3i2b h TYR 79 CO 0.07 0.79 -0.66 0.52 -1.05 0.00 0.00 178.16 177.83 3i2b h MET 80 N 1.08 0.23 -0.68 4.88 2.86 -1.16 -0.07 114.93 122.06 3i2b h MET 80 Ca 0.26 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3i2b h MET 80 Cb 0.12 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 3i2b h MET 80 CO -0.03 0.80 0.26 1.49 1.06 0.00 0.00 176.91 180.49 3i2b h GLU 81 N 0.16 1.02 0.05 1.72 4.57 -0.09 -1.62 114.58 120.39 3i2b h GLU 81 Ca -0.01 -0.19 -0.23 0.00 -1.18 0.00 0.00 59.36 57.74 3i2b h GLU 81 Cb 1.18 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 3i2b h GLU 81 CO 0.10 0.86 -1.04 0.93 -1.18 0.00 0.00 179.01 178.67 3i2b h GLU 82 N 0.97 0.21 0.00 1.92 4.39 -1.02 -0.91 114.58 120.14 3i2b h GLU 82 Ca 0.23 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3i2b h GLU 82 Cb 0.22 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3i2b h GLU 82 CO -0.02 1.08 -1.00 0.00 -1.16 0.00 0.00 179.01 177.91 3i2b n ALA 83 N -2.48 2.72 0.09 3.43 0.00 -0.05 -4.48 120.51 119.73 3i2b n ALA 83 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3i2b n ALA 83 Cb 0.92 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3i2b n ALA 83 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i2b n ILE 84 N -2.46 0.64 0.12 0.00 5.41 -0.63 -4.78 119.36 117.66 3i2b n ILE 84 Ca 0.01 0.21 -0.14 0.00 1.00 0.00 0.00 62.75 63.83 3i2b n ILE 84 Cb 0.52 -1.07 -0.08 0.00 -0.71 0.00 0.00 39.64 38.30 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 -0.26 0.09 0.38 2.86 -1.31 -0.76 114.93 115.93 3i2b h MET 85 Ca 0.00 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3i2b h MET 85 Cb 0.00 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3i2b h MET 85 CO 0.00 -0.03 -0.18 1.96 1.06 0.00 0.00 176.91 179.72 3i2b h GLN 86 N -0.45 -0.33 0.00 1.72 4.20 -1.41 -0.68 115.11 118.16 3i2b h GLN 86 Ca -0.03 0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 3i2b h GLN 86 Cb 0.35 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3i2b h GLN 86 CO 0.05 -0.22 -0.52 -1.00 -0.67 0.00 0.00 178.83 176.47 3i2b h PRO 87 N -0.34 0.00 0.00 1.46 0.13 -1.78 -3.39 132.00 128.08 3i2b h PRO 87 Ca 0.03 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.98 3i2b h PRO 87 Cb 0.36 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.46 3i2b h PRO 87 CO -0.10 0.52 -1.81 1.28 -0.23 0.00 0.00 178.00 177.65 3i2b n LEU 88 N -3.39 0.00 -4.72 1.56 4.77 -0.29 -4.85 117.00 110.09 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 0.66 0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.97 3i2b n LEU 88 CO 0.40 0.24 0.75 -0.62 -1.33 0.00 0.00 177.39 176.83 3i2b s ASP 89 N -4.34 7.29 -1.29 -1.43 2.15 -0.27 -2.88 116.67 115.89 3i2b s ASP 89 Ca -0.06 1.83 -0.05 0.00 0.43 0.00 0.00 52.55 54.69 3i2b s ASP 89 Cb 0.05 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 40.10 3i2b s ASP 89 CO 0.53 -0.30 1.11 1.41 -0.17 0.00 0.00 175.17 177.75 3i2b n HIS 90 N 3.63 -2.61 -4.32 -5.34 8.25 0.21 -4.94 115.22 110.10 3i2b n HIS 90 Ca 0.06 0.98 -0.17 0.00 -0.26 0.00 0.00 57.72 58.33 3i2b n HIS 90 Cb 0.49 -5.05 -0.10 0.00 1.12 0.00 0.00 29.99 26.45 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 -5.94 1.26 -0.36 -0.41 -0.14 -1.14 -5.01 119.74 108.00 3i2b s LYS 91 Ca 0.36 -1.56 -0.16 0.00 -1.36 0.00 0.00 55.97 53.25 3i2b s LYS 91 Cb -0.16 -0.98 -0.00 0.00 -1.68 0.00 0.00 37.83 35.01 3i2b s LYS 91 CO 0.73 0.15 0.40 1.21 -0.76 0.00 0.00 175.35 177.07 3i2b s ASN 92 N -3.28 6.20 0.17 2.83 3.84 -1.26 -1.28 114.94 122.17 3i2b s ASN 92 Ca 0.21 -0.28 -0.14 0.00 0.21 0.00 0.00 52.86 52.86 3i2b s ASN 92 Cb 0.00 -2.21 0.06 0.00 -0.55 0.00 0.00 41.25 38.56 3i2b s ASN 92 CO 0.05 -0.40 1.83 -0.07 -2.79 0.00 0.00 177.10 175.72 3i2b h LEU 93 N 8.85 0.62 -0.44 3.21 3.38 -1.34 0.13 115.31 129.72 3i2b h LEU 93 Ca -0.29 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 3i2b h LEU 93 Cb 1.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3i2b h LEU 93 CO 0.72 0.46 -0.22 0.44 0.09 0.00 0.00 178.44 179.93 3i2b h ASP 94 N 0.72 0.00 0.00 -0.43 3.32 -1.85 -2.90 116.42 115.28 3i2b h ASP 94 Ca 0.19 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3i2b h ASP 94 Cb -0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3i2b h ASP 94 CO -0.04 0.22 -1.66 0.23 -1.72 0.00 0.00 179.24 176.27 3i2b n MET 95 N -3.22 0.93 -0.01 3.56 2.81 -1.05 -4.37 117.12 115.77 3i2b n MET 95 Ca 0.02 -0.08 0.07 0.00 -1.81 0.00 0.00 57.70 55.90 3i2b n MET 95 Cb 0.55 -1.31 -0.11 0.00 -0.71 0.00 0.00 33.22 31.64 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 -2.11 1.69 -4.29 7.83 8.00 0.43 -4.87 116.55 123.23 3i2b n ASP 96 Ca -0.08 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.03 3i2b n ASP 96 Cb 0.51 1.63 -0.11 0.00 -0.02 0.00 0.00 41.12 43.14 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 -2.98 4.12 0.35 2.53 1.01 -1.09 -4.99 120.40 119.35 3i2b s VAL 97 Ca -0.05 -1.22 0.09 0.00 0.00 0.00 0.00 61.98 60.80 3i2b s VAL 97 Cb 0.09 -3.42 0.32 0.00 0.00 0.00 0.00 36.38 33.37 3i2b s VAL 97 CO 0.60 -0.35 1.86 -0.65 0.00 0.00 0.00 175.10 176.57 3i2b h PRO 98 N 8.34 0.66 -0.91 2.72 0.11 -1.89 -0.69 132.00 140.33 3i2b h PRO 98 Ca -0.23 -0.04 0.19 0.00 0.11 0.00 0.00 66.00 66.03 3i2b h PRO 98 Cb 1.09 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 31.97 3i2b h PRO 98 CO 0.68 0.44 0.59 -0.92 -0.21 0.00 0.00 178.00 178.59 3i2b h TYR 99 N 0.68 0.67 -0.39 0.65 5.03 -1.94 -1.08 116.97 120.60 3i2b h TYR 99 Ca 0.46 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.79 3i2b h TYR 99 Cb 0.76 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.83 3i2b h TYR 99 CO -0.00 0.19 0.00 1.19 -1.32 0.00 0.00 178.16 178.22 3i2b n PHE 100 N -4.56 0.63 -0.28 -3.82 3.72 -0.27 -3.79 117.46 109.10 3i2b n PHE 100 Ca 0.19 -0.29 -0.03 0.00 -0.05 0.00 0.00 57.45 57.27 3i2b n PHE 100 Cb 0.63 -0.05 0.12 0.00 -0.94 0.00 0.00 39.48 39.25 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 3.65 1.19 0.00 4.37 0.00 -1.27 -3.28 119.26 123.92 3i2b h ALA 101 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3i2b h ALA 101 Cb 0.65 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3i2b h ALA 101 CO 0.04 0.62 -0.26 -0.40 0.00 0.00 0.00 179.25 179.25 3i2b n ASP 102 N -4.32 1.65 -3.99 0.00 5.68 -1.26 -5.01 116.55 109.29 3i2b n ASP 102 Ca 0.08 -2.92 -0.21 0.00 -0.50 0.00 0.00 54.79 51.24 3i2b n ASP 102 Cb 0.13 -0.39 -0.16 0.00 -1.14 0.00 0.00 41.12 39.56 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 -2.13 0.80 0.11 2.12 1.01 -1.24 -5.12 120.40 115.96 3i2b s VAL 103 Ca 0.26 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 3i2b s VAL 103 Cb 0.24 -0.73 -0.08 0.00 0.00 0.00 0.00 36.38 35.81 3i2b s VAL 103 CO -0.01 0.26 1.43 -0.69 0.00 0.00 0.00 175.10 176.10 3i2b s VAL 104 N 0.32 3.22 -0.19 2.92 1.01 -1.26 -4.64 120.40 121.78 3i2b s VAL 104 Ca -0.05 0.85 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 3i2b s VAL 104 Cb -0.10 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 3i2b s VAL 104 CO 0.01 0.06 3.01 -1.54 0.00 0.00 0.00 175.10 176.64 3i2b n SER 105 N 4.18 5.79 -4.72 3.32 3.41 -1.26 -4.67 113.62 119.67 3i2b n SER 105 Ca 0.12 -2.78 -0.30 0.00 -0.26 0.00 0.00 58.87 55.65 3i2b n SER 105 Cb 0.42 -1.29 0.13 0.00 -0.26 0.00 0.00 64.21 63.20 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 -0.53 2.82 0.24 6.66 -4.23 -1.26 -4.80 115.64 114.54 3i2b s THR 106 Ca 0.54 0.27 -0.06 0.00 -1.18 0.00 0.00 61.69 61.25 3i2b s THR 106 Cb 0.30 -2.65 0.23 0.00 1.34 0.00 0.00 72.50 71.72 3i2b s THR 106 CO -0.08 -0.35 1.89 0.74 -0.54 0.00 0.00 174.62 176.28 3i2b h THR 107 N -1.47 1.26 -0.59 3.99 2.02 -1.99 -0.68 112.91 115.45 3i2b h THR 107 Ca -0.46 -0.57 0.12 0.00 0.77 0.00 0.00 66.41 66.27 3i2b h THR 107 Cb 1.26 -0.06 -0.10 0.00 -1.74 0.00 0.00 68.15 67.51 3i2b h THR 107 CO 0.51 0.27 -0.02 -0.33 0.37 0.00 0.00 175.52 176.31 3i2b h GLU 108 N 1.30 0.09 0.00 6.66 3.07 -1.95 -0.66 114.58 123.08 3i2b h GLU 108 Ca 0.34 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 59.05 3i2b h GLU 108 Cb -0.05 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 3i2b h GLU 108 CO -0.06 0.06 -0.68 -0.91 -1.40 0.00 0.00 179.01 176.02 3i2b h ASN 109 N 0.09 0.00 -0.60 1.42 2.35 -1.58 -2.11 115.58 115.14 3i2b h ASN 109 Ca 0.30 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.99 3i2b h ASN 109 Cb 0.48 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 3i2b h ASN 109 CO -0.52 0.68 0.13 0.58 -1.65 0.00 0.00 177.43 176.65 3i2b h VAL 110 N 0.00 1.25 -0.62 2.81 2.07 -0.50 -0.12 116.25 121.15 3i2b h VAL 110 Ca -0.01 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 3i2b h VAL 110 Cb 1.22 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3i2b h VAL 110 CO 0.09 0.35 0.15 0.00 0.02 0.00 0.00 177.57 178.18 3i2b h ALA 111 N 1.03 0.82 -0.44 1.67 0.00 -0.79 -1.23 119.26 120.32 3i2b h ALA 111 Ca 0.19 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3i2b h ALA 111 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3i2b h ALA 111 CO 0.01 0.53 0.11 0.28 0.00 0.00 0.00 179.25 180.18 3i2b h VAL 112 N 0.91 1.23 -0.37 0.00 2.07 -1.27 -0.98 116.25 117.85 3i2b h VAL 112 Ca 0.19 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3i2b h VAL 112 Cb 0.36 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3i2b h VAL 112 CO 0.00 0.29 0.21 0.22 0.02 0.00 0.00 177.57 178.31 3i2b h TYR 113 N 0.58 0.40 -0.19 1.57 3.20 -0.79 -0.54 116.97 121.20 3i2b h TYR 113 Ca 0.14 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 3i2b h TYR 113 Cb 0.32 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3i2b h TYR 113 CO 0.02 0.23 0.10 0.82 -1.64 0.00 0.00 178.16 177.69 3i2b h ILE 114 N 0.43 1.11 -0.44 1.81 2.04 -1.08 -0.60 117.51 120.79 3i2b h ILE 114 Ca 0.15 -0.31 0.09 0.00 1.00 0.00 0.00 64.86 65.78 3i2b h ILE 114 Cb 0.01 0.99 -0.09 0.00 -0.74 0.00 0.00 36.82 36.99 3i2b h ILE 114 CO -0.07 0.11 -0.17 -0.25 0.00 0.00 0.00 178.15 177.76 3i2b h TRP 115 N 0.19 -0.41 -0.65 1.37 2.91 -0.85 -0.07 115.95 118.44 3i2b h TRP 115 Ca 0.06 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 60.07 3i2b h TRP 115 Cb 0.09 0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 28.96 3i2b h TRP 115 CO -0.03 -0.25 0.18 -0.44 -1.03 0.00 0.00 178.44 176.86 3i2b h ASP 116 N -0.08 0.96 -0.77 2.65 3.32 -0.86 0.45 116.42 122.09 3i2b h ASP 116 Ca 0.21 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3i2b h ASP 116 Cb 0.40 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3i2b h ASP 116 CO -0.49 0.93 0.37 0.78 -1.72 0.00 0.00 179.24 179.11 3i2b h ASN 117 N 0.94 1.02 -0.05 6.45 4.21 -0.58 -2.83 115.58 124.74 3i2b h ASN 117 Ca 0.21 -0.14 -0.16 0.00 1.21 0.00 0.00 56.30 57.42 3i2b h ASN 117 Cb 0.33 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 3i2b h ASN 117 CO -0.00 0.87 -0.51 -0.07 -1.29 0.00 0.00 177.43 176.42 3i2b h LEU 118 N 1.09 0.69 -1.44 1.61 3.38 -0.63 -3.06 115.31 116.96 3i2b h LEU 118 Ca 0.27 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3i2b h LEU 118 Cb 0.13 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3i2b h LEU 118 CO -0.03 1.08 0.00 1.56 0.09 0.00 0.00 178.44 181.13 3i2b h GLN 119 N 0.49 0.00 0.00 1.13 1.08 -0.67 -0.48 115.11 116.67 3i2b h GLN 119 Ca 0.02 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 3i2b h GLN 119 Cb 1.06 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 3i2b h GLN 119 CO 0.10 0.00 -0.19 0.87 -0.95 0.00 0.00 178.83 178.66 3i2b h LYS 120 N 0.00 0.00 0.00 1.46 1.57 -1.42 -3.36 116.57 114.81 3i2b h LYS 120 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3i2b h LYS 120 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3i2b h LYS 120 CO 0.00 0.19 -1.43 1.33 -0.57 0.00 0.00 179.45 178.97 3i2b n VAL 121 N -3.21 0.43 -1.51 0.50 0.24 -0.47 -5.02 118.33 109.30 3i2b n VAL 121 Ca 0.02 -0.25 -0.32 0.00 -2.04 0.00 0.00 64.34 61.75 3i2b n VAL 121 Cb 0.53 -0.83 0.07 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 -4.62 3.20 0.57 1.34 1.43 -0.31 -5.01 118.68 115.28 3i2b s LEU 122 Ca -0.04 1.89 -0.17 0.00 -1.03 0.00 0.00 54.13 54.77 3i2b s LEU 122 Cb 0.02 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.66 3i2b s LEU 122 CO 0.24 -1.81 1.07 -2.84 0.23 0.00 0.00 176.35 173.25 3i2b s PRO 123 N -4.55 3.33 0.17 1.29 0.02 -1.26 -4.92 135.00 129.09 3i2b s PRO 123 Ca 0.63 1.33 -0.33 0.00 0.02 0.00 0.00 61.00 62.66 3i2b s PRO 123 Cb -0.18 -2.03 -0.13 0.00 0.02 0.00 0.00 34.50 32.18 3i2b s PRO 123 CO 0.49 -0.81 1.67 0.28 -0.33 0.00 0.00 177.00 178.30 3i2b n VAL 124 N -1.77 0.04 -0.28 3.83 0.31 -1.26 -3.01 118.33 116.20 3i2b n VAL 124 Ca 0.10 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3i2b n VAL 124 Cb 0.52 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 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 3.76 0.94 0.09 2.92 0.00 -1.26 -4.89 105.19 106.76 3i2b n GLY 125 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 3i2b n GLY 125 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i2b h VAL 126 N 0.00 0.85 -2.97 1.61 2.07 -1.80 -3.45 116.25 112.57 3i2b h VAL 126 Ca 0.00 -2.66 -0.55 0.00 0.82 0.00 0.00 66.70 64.31 3i2b h VAL 126 Cb 0.00 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3i2b h VAL 126 CO 0.00 0.61 0.79 -0.22 0.02 0.00 0.00 177.57 178.77 3i2b s LEU 127 N -6.36 4.30 -0.16 2.57 2.96 -1.26 -0.43 118.68 120.30 3i2b s LEU 127 Ca -0.08 2.00 -0.00 0.00 -0.22 0.00 0.00 54.13 55.82 3i2b s LEU 127 Cb 0.08 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.11 3i2b s LEU 127 CO 0.82 -0.67 -0.15 0.00 -1.32 0.00 0.00 176.35 175.02 3i2b n TYR 128 N 5.33 0.00 -3.63 5.38 9.36 -0.16 -4.87 117.16 128.57 3i2b n TYR 128 Ca 0.12 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.20 3i2b n TYR 128 Cb 0.45 -0.60 -0.07 0.00 -0.63 0.00 0.00 39.34 38.48 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 -2.31 0.81 -0.13 2.98 2.20 -0.70 -4.66 119.74 117.93 3i2b s LYS 129 Ca -0.22 0.77 0.02 0.00 -0.36 0.00 0.00 55.97 56.18 3i2b s LYS 129 Cb 0.06 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.79 3i2b s LYS 129 CO 0.35 -0.13 -0.18 0.08 -0.36 0.00 0.00 175.35 175.10 3i2b s VAL 130 N 0.04 1.79 -0.12 4.02 1.01 -0.50 -0.80 120.40 125.85 3i2b s VAL 130 Ca -0.02 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3i2b s VAL 130 Cb -0.04 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 3i2b s VAL 130 CO 0.02 0.50 -0.21 -0.75 0.00 0.00 0.00 175.10 174.66 3i2b s LYS 131 N 0.98 3.12 -0.16 2.72 2.20 -0.10 -1.16 119.74 127.34 3i2b s LYS 131 Ca -0.05 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 3i2b s LYS 131 Cb -0.15 -2.41 0.02 0.00 -1.51 0.00 0.00 37.83 33.77 3i2b s LYS 131 CO -0.03 0.13 -0.20 0.08 -0.36 0.00 0.00 175.35 174.97 3i2b s VAL 132 N 0.47 1.98 -0.39 4.02 1.01 0.36 -1.10 120.40 126.74 3i2b s VAL 132 Ca -0.14 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.76 3i2b s VAL 132 Cb -0.17 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.44 3i2b s VAL 132 CO 0.06 0.53 0.45 -0.31 0.00 0.00 0.00 175.10 175.83 3i2b s TYR 133 N 1.09 3.17 0.10 5.22 1.51 0.95 -1.04 117.35 128.35 3i2b s TYR 133 Ca -0.01 -0.16 -0.14 0.00 -1.01 0.00 0.00 57.07 55.75 3i2b s TYR 133 Cb -0.14 -2.89 -0.12 0.00 -0.11 0.00 0.00 41.96 38.70 3i2b s TYR 133 CO -0.07 -0.63 1.36 1.49 -1.11 0.00 0.00 175.55 176.59 3i2b h GLU 134 N 8.63 0.77 0.00 -0.62 4.81 -1.56 -1.04 114.58 125.57 3i2b h GLU 134 Ca -0.27 -0.52 -0.47 0.00 -0.13 0.00 0.00 59.36 57.97 3i2b h GLU 134 Cb 1.12 0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.45 3i2b h GLU 134 CO 0.78 1.14 -0.45 0.25 -0.73 0.00 0.00 179.01 180.00 3i2b n THR 135 N -4.09 0.00 0.17 0.32 -2.24 -1.22 -4.57 114.28 102.65 3i2b n THR 135 Ca -0.06 -2.36 0.15 0.00 -2.27 0.00 0.00 64.05 59.52 3i2b n THR 135 Cb 0.62 1.14 0.75 0.00 -2.10 0.00 0.00 70.33 70.73 3i2b n THR 135 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3i2b h ASP 136 N 1.94 0.00 -0.01 3.42 3.32 -1.93 -3.12 116.42 120.05 3i2b h ASP 136 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3i2b h ASP 136 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3i2b h ASP 136 CO 0.35 0.00 -0.21 0.59 -1.72 0.00 0.00 179.24 178.25 3i2b n ASN 137 N -4.16 1.40 -3.95 6.45 3.02 -1.26 -4.91 115.26 111.85 3i2b n ASN 137 Ca 0.02 -1.20 -0.30 0.00 -0.03 0.00 0.00 54.58 53.08 3i2b n ASN 137 Cb 0.33 0.41 -0.16 0.00 -0.61 0.00 0.00 39.78 39.74 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 -1.42 3.36 0.01 6.41 0.01 -1.18 -5.10 114.94 117.02 3i2b s ASN 138 Ca 0.10 -0.90 0.04 0.00 -0.71 0.00 0.00 52.86 51.39 3i2b s ASN 138 Cb 0.09 -1.12 -0.01 0.00 0.41 0.00 0.00 41.25 40.62 3i2b s ASN 138 CO 0.27 -0.18 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.92 3i2b s ILE 139 N 1.47 0.99 -0.02 0.60 1.01 -1.26 -1.52 121.20 122.47 3i2b s ILE 139 Ca -0.02 -0.68 0.07 0.00 0.00 0.00 0.00 60.65 60.02 3i2b s ILE 139 Cb -0.17 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 3i2b s ILE 139 CO -0.08 0.16 -0.24 -0.69 0.00 0.00 0.00 174.94 174.10 3i2b s VAL 140 N -0.50 1.89 -0.11 2.92 1.01 -0.21 -4.99 120.40 120.42 3i2b s VAL 140 Ca 0.03 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3i2b s VAL 140 Cb -0.06 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3i2b s VAL 140 CO 0.00 0.53 -0.23 -0.69 0.00 0.00 0.00 175.10 174.72 3i2b s VAL 141 N -0.56 2.01 -0.04 2.92 1.01 -1.26 -0.49 120.40 123.99 3i2b s VAL 141 Ca 0.09 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.15 3i2b s VAL 141 Cb -0.09 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3i2b s VAL 141 CO -0.01 0.55 -0.21 -0.47 0.00 0.00 0.00 175.10 174.96 3i2b s TYR 142 N 0.49 1.98 -0.11 5.22 5.04 -0.31 -5.01 117.35 124.65 3i2b s TYR 142 Ca -0.15 -0.52 0.20 0.00 -2.44 0.00 0.00 57.07 54.16 3i2b s TYR 142 Cb -0.17 -1.31 0.44 0.00 0.35 0.00 0.00 41.96 41.27 3i2b s TYR 142 CO 0.06 -0.14 1.18 1.63 -1.34 0.00 0.00 175.55 176.94 3i2b n LYS 143 N 2.90 0.93 -1.60 4.97 5.02 -1.26 -1.41 118.16 127.71 3i2b n LYS 143 Ca -0.17 -2.72 -0.15 0.00 -2.02 0.00 0.00 58.31 53.24 3i2b n LYS 143 Cb 0.53 -0.84 -0.06 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.22 1.25 0.65 0.72 0.00 -1.26 -4.96 105.19 101.38 3i2b n GLY 144 Ca 0.13 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.00 3i2b n GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50