#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 2.12 -0.09 -0.14 1.81 -1.26 -5.03 118.95 116.36 3i2b s ARG 9 Ca 0.00 -0.93 -0.00 0.00 -1.72 0.00 0.00 55.73 53.08 3i2b s ARG 9 Cb 0.00 -2.13 0.02 0.00 -0.45 0.00 0.00 34.95 32.39 3i2b s ARG 9 CO 0.00 0.56 -0.06 0.00 -0.68 0.00 0.00 175.30 175.12 3i2b s GLN 11 N 1.58 3.99 0.14 0.00 -1.52 -1.26 0.12 119.66 122.70 3i2b s GLN 11 Ca 0.02 0.58 -0.14 0.00 -1.95 0.00 0.00 55.36 53.87 3i2b s GLN 11 Cb -0.13 -2.63 0.02 0.00 -0.22 0.00 0.00 33.01 30.05 3i2b s GLN 11 CO -0.06 0.28 0.37 0.00 -0.25 0.00 0.00 175.29 175.63 3i2b s ALA 12 N -1.79 -0.67 -0.12 6.09 0.00 -0.46 -4.91 121.76 119.90 3i2b s ALA 12 Ca 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 3i2b s ALA 12 Cb -0.12 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 3i2b s ALA 12 CO 0.19 -0.65 -0.03 -0.65 0.00 0.00 0.00 175.76 174.63 3i2b s GLN 13 N -3.85 3.30 -0.07 0.00 -0.21 -1.26 -2.09 119.66 115.48 3i2b s GLN 13 Ca 0.06 -0.48 0.02 0.00 0.02 0.00 0.00 55.36 54.98 3i2b s GLN 13 Cb 0.02 -2.83 0.01 0.00 1.00 0.00 0.00 33.01 31.21 3i2b s GLN 13 CO -0.09 0.46 -0.13 0.08 -2.12 0.00 0.00 175.29 173.50 3i2b s VAL 14 N -0.24 1.22 0.04 1.09 1.01 -0.14 -4.98 120.40 118.40 3i2b s VAL 14 Ca 0.05 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3i2b s VAL 14 Cb -0.13 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3i2b s VAL 14 CO 0.02 0.37 -0.21 -0.44 0.00 0.00 0.00 175.10 174.85 3i2b s SER 15 N 0.67 2.46 -0.03 3.32 0.01 -1.26 -0.41 113.70 118.47 3i2b s SER 15 Ca -0.14 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.63 3i2b s SER 15 Cb -0.16 -0.20 -0.00 0.00 0.21 0.00 0.00 66.02 65.86 3i2b s SER 15 CO 0.04 0.16 -0.12 -0.60 0.41 0.00 0.00 173.24 173.12 3i2b s ARG 16 N -1.17 1.20 -0.11 12.44 3.52 -0.41 -4.97 118.95 129.44 3i2b s ARG 16 Ca 0.07 -0.43 -0.01 0.00 -0.13 0.00 0.00 55.73 55.23 3i2b s ARG 16 Cb -0.09 -1.10 -0.03 0.00 -1.56 0.00 0.00 34.95 32.17 3i2b s ARG 16 CO 0.02 0.19 -0.07 0.50 -0.81 0.00 0.00 175.30 175.13 3i2b s ARG 17 N 0.01 3.24 0.25 5.12 3.52 -1.26 -1.23 118.95 128.60 3i2b s ARG 17 Ca -0.01 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 3i2b s ARG 17 Cb -0.08 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 3i2b s ARG 17 CO 0.01 0.41 0.13 0.96 -0.81 0.00 0.00 175.30 175.99 3i2b s ILE 18 N -0.12 0.28 0.14 4.11 -4.36 -0.47 -4.99 121.20 115.80 3i2b s ILE 18 Ca 0.01 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.46 3i2b s ILE 18 Cb -0.13 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 3i2b s ILE 18 CO 0.03 0.00 -0.12 -0.94 0.24 0.00 0.00 174.94 174.15 3i2b s SER 19 N -3.27 1.93 0.02 4.36 1.04 -1.26 -0.19 113.70 116.33 3i2b s SER 19 Ca 0.38 -0.91 -0.04 0.00 0.48 0.00 0.00 55.95 55.86 3i2b s SER 19 Cb 0.07 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 3i2b s SER 19 CO 0.14 -0.23 0.06 0.72 0.98 0.00 0.00 173.24 174.91 3i2b s PHE 20 N -2.72 0.17 -0.20 5.02 -0.71 -0.35 -5.00 117.98 114.20 3i2b s PHE 20 Ca 0.13 -0.38 -0.10 0.00 -1.04 0.00 0.00 56.93 55.54 3i2b s PHE 20 Cb -0.01 -0.13 -0.05 0.00 -1.21 0.00 0.00 43.02 41.62 3i2b s PHE 20 CO 0.02 -0.27 0.13 -1.12 -1.34 0.00 0.00 175.22 172.65 3i2b s SER 21 N -1.60 6.22 0.05 1.98 0.01 -1.26 -0.41 113.70 118.69 3i2b s SER 21 Ca -0.13 0.25 -0.12 0.00 1.31 0.00 0.00 55.95 57.25 3i2b s SER 21 Cb -0.07 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.09 3i2b s SER 21 CO -0.01 0.19 0.27 0.00 0.41 0.00 0.00 173.24 174.10 3i2b s ALA 22 N 0.30 -0.58 0.18 1.44 0.00 -0.81 0.46 121.76 122.75 3i2b s ALA 22 Ca 0.08 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 51.97 3i2b s ALA 22 Cb -0.11 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3i2b s ALA 22 CO -0.02 -0.43 0.09 -1.54 0.00 0.00 0.00 175.76 173.86 3i2b s SER 23 N -2.22 5.20 0.31 0.00 1.04 -0.64 -1.18 113.70 116.21 3i2b s SER 23 Ca -0.03 -0.27 -0.17 0.00 0.48 0.00 0.00 55.95 55.96 3i2b s SER 23 Cb 0.00 -1.25 0.03 0.00 0.10 0.00 0.00 66.02 64.90 3i2b s SER 23 CO -0.05 0.06 0.70 -1.38 0.98 0.00 0.00 173.24 173.54 3i2b s HIS 24 N -1.82 0.06 -0.01 5.02 -0.00 -0.30 -0.76 115.29 117.48 3i2b s HIS 24 Ca 0.30 -0.56 0.00 0.00 -0.00 0.00 0.00 55.06 54.80 3i2b s HIS 24 Cb -0.09 0.63 0.01 0.00 -0.00 0.00 0.00 32.58 33.13 3i2b s HIS 24 CO 0.22 -1.31 0.01 0.50 -0.00 0.00 0.00 174.74 174.16 3i2b s ARG 25 N -3.36 0.02 -0.24 -0.38 3.52 -1.26 -1.38 118.95 115.86 3i2b s ARG 25 Ca 0.15 0.06 -0.19 0.00 -0.13 0.00 0.00 55.73 55.62 3i2b s ARG 25 Cb -0.05 -0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.20 3i2b s ARG 25 CO 0.10 -0.06 0.58 -0.51 -0.81 0.00 0.00 175.30 174.60 3i2b s LEU 26 N 0.40 4.08 -0.04 -0.88 1.43 -0.40 -4.61 118.68 118.66 3i2b s LEU 26 Ca -0.03 0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 53.45 3i2b s LEU 26 Cb -0.05 -2.79 0.09 0.00 0.03 0.00 0.00 46.19 43.47 3i2b s LEU 26 CO -0.01 -0.31 0.78 -0.72 0.23 0.00 0.00 176.35 176.32 3i2b s TYR 27 N 2.26 -0.52 -0.09 0.29 -0.85 -1.26 -4.11 117.35 113.08 3i2b s TYR 27 Ca 0.25 0.73 0.02 0.00 -0.52 0.00 0.00 57.07 57.55 3i2b s TYR 27 Cb -0.16 0.46 -0.02 0.00 0.38 0.00 0.00 41.96 42.63 3i2b s TYR 27 CO 0.09 -0.57 -0.16 0.45 -1.52 0.00 0.00 175.55 173.84 3i2b s SER 28 N -1.62 3.83 0.08 -0.18 0.15 -1.26 -4.64 113.70 110.06 3i2b s SER 28 Ca -0.04 -0.32 0.15 0.00 0.70 0.00 0.00 55.95 56.44 3i2b s SER 28 Cb -0.00 -1.23 0.66 0.00 -1.71 0.00 0.00 66.02 63.74 3i2b s SER 28 CO 0.01 0.24 1.48 2.29 1.20 0.00 0.00 173.24 178.46 3i2b n LYS 29 N 3.02 0.05 -0.04 5.44 2.85 -1.26 -2.57 118.16 125.65 3i2b n LYS 29 Ca -0.18 0.34 0.12 0.00 -1.05 0.00 0.00 58.31 57.54 3i2b n LYS 29 Cb 0.52 -1.61 0.44 0.00 -0.65 0.00 0.00 35.03 33.73 3i2b n LYS 29 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3i2b n PHE 30 N -1.72 0.11 -4.37 5.58 3.72 -1.26 -4.86 117.46 114.66 3i2b n PHE 30 Ca 0.03 -0.05 -0.27 0.00 -0.05 0.00 0.00 57.45 57.10 3i2b n PHE 30 Cb 0.16 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.57 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 -1.79 2.31 1.16 4.37 1.02 -1.06 -5.12 118.68 119.57 3i2b s LEU 31 Ca 0.35 -0.72 -0.17 0.00 0.02 0.00 0.00 54.13 53.61 3i2b s LEU 31 Cb 0.19 -1.10 0.27 0.00 0.02 0.00 0.00 46.19 45.57 3i2b s LEU 31 CO 0.30 0.14 1.08 -0.94 0.02 0.00 0.00 176.35 176.95 3i2b s SER 32 N -1.97 1.23 0.14 2.29 1.04 -1.26 -4.78 113.70 110.39 3i2b s SER 32 Ca 0.11 0.86 -0.14 0.00 0.48 0.00 0.00 55.95 57.26 3i2b s SER 32 Cb -0.10 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.74 3i2b s SER 32 CO 0.05 -3.96 1.63 0.44 0.98 0.00 0.00 173.24 172.38 3i2b h ASP 33 N -2.46 0.68 -0.29 7.02 3.32 -1.98 0.23 116.42 122.94 3i2b h ASP 33 Ca -0.49 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 56.35 3i2b h ASP 33 Cb 1.31 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 3i2b h ASP 33 CO 0.42 0.76 0.07 -0.08 -1.72 0.00 0.00 179.24 178.68 3i2b h GLU 34 N 0.58 0.18 -0.66 3.56 4.81 -1.98 0.22 114.58 121.29 3i2b h GLU 34 Ca 0.14 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 3i2b h GLU 34 Cb 0.35 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3i2b h GLU 34 CO 0.01 0.12 0.11 0.93 -0.73 0.00 0.00 179.01 179.44 3i2b h GLU 35 N 0.18 1.10 -0.37 1.92 5.08 -1.86 0.25 114.58 120.88 3i2b h GLU 35 Ca 0.13 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3i2b h GLU 35 Cb 0.13 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3i2b h GLU 35 CO -0.16 1.01 0.08 -0.91 -1.00 0.00 0.00 179.01 178.02 3i2b h ASN 36 N 1.02 0.57 -0.66 1.42 2.35 -0.63 0.14 115.58 119.79 3i2b h ASN 36 Ca 0.20 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3i2b h ASN 36 Cb 0.44 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 3i2b h ASN 36 CO 0.01 0.67 0.33 0.25 -1.65 0.00 0.00 177.43 177.04 3i2b h LEU 37 N 0.45 0.86 -0.64 1.61 5.85 -0.26 -0.01 115.31 123.16 3i2b h LEU 37 Ca 0.11 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3i2b h LEU 37 Cb 0.33 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3i2b h LEU 37 CO 0.00 0.74 0.08 0.50 -0.34 0.00 0.00 178.44 179.42 3i2b h LYS 38 N 0.91 1.08 0.00 1.25 3.64 0.01 0.02 116.57 123.48 3i2b h LYS 38 Ca 0.23 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3i2b h LYS 38 Cb 0.10 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3i2b h LYS 38 CO -0.03 1.01 -0.13 1.25 -2.27 0.00 0.00 179.45 179.29 3i2b h LEU 39 N 1.00 0.11 0.00 5.20 5.85 -0.59 -3.37 115.31 123.50 3i2b h LEU 39 Ca 0.19 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 58.11 3i2b h LEU 39 Cb 0.47 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3i2b h LEU 39 CO 0.02 0.90 -1.20 0.49 -0.34 0.00 0.00 178.44 178.31 3i2b n PHE 40 N -4.60 0.06 0.00 1.25 3.72 -0.03 -5.03 117.46 112.82 3i2b n PHE 40 Ca -0.10 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3i2b n PHE 40 Cb 0.45 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 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 3.16 0.25 1.37 0.00 -0.01 -1.91 105.19 109.47 3i2b n GLY 41 Ca 0.02 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 5.09 -1.96 -1.04 116.57 120.27 3i2b h LYS 42 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 3i2b h LYS 42 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 3i2b h LYS 42 CO 0.00 0.13 0.00 0.00 -2.09 0.00 0.00 179.45 177.49 3i2b n ASN 44 N -2.33 1.87 -4.65 0.00 2.85 -0.39 -1.28 115.26 111.33 3i2b n ASN 44 Ca -0.00 -1.73 -0.59 0.00 -0.11 0.00 0.00 54.58 52.15 3i2b n ASN 44 Cb 0.12 -0.11 -0.08 0.00 1.24 0.00 0.00 39.78 40.95 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 0.46 1.43 -0.30 1.20 5.15 -0.71 -4.82 115.26 117.67 3i2b n ASN 45 Ca 0.17 1.13 0.07 0.00 -0.60 0.00 0.00 54.58 55.35 3i2b n ASN 45 Cb 0.37 -1.04 0.29 0.00 -0.53 0.00 0.00 39.78 38.86 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 5.16 0.88 -0.23 1.20 0.11 -1.93 -0.38 132.00 136.81 3i2b h PRO 46 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i2b h PRO 46 Cb 1.36 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i2b h PRO 46 CO 0.86 0.58 0.00 0.09 -0.21 0.00 0.00 178.00 179.32 3i2b n ASN 47 N -4.54 1.70 0.00 -2.05 3.02 -1.26 -5.03 115.26 107.10 3i2b n ASN 47 Ca 0.16 -1.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.90 3i2b n ASN 47 Cb 0.31 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 1.10 -3.13 1.00 7.41 0.00 -0.15 -5.02 105.19 106.39 3i2b n GLY 48 Ca 0.15 -1.82 -0.04 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.42 -0.97 -3.96 1.61 1.44 -0.48 -4.87 115.22 107.57 3i2b n HIS 49 Ca 0.00 -0.62 -0.10 0.00 -2.01 0.00 0.00 57.72 54.99 3i2b n HIS 49 Cb 0.00 0.20 -0.03 0.00 0.12 0.00 0.00 29.99 30.28 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 -1.61 0.64 -0.01 -1.39 0.00 -1.26 -1.15 107.32 102.54 3i2b s GLY 50 Ca 0.07 -0.93 -0.16 0.00 0.00 0.00 0.00 44.72 43.70 3i2b s GLY 50 CO 0.05 -0.57 0.34 0.30 0.00 0.00 0.00 173.10 173.22 3i2b s HIS 51 N -3.39 -0.22 -0.85 1.90 3.76 -0.32 -4.99 115.29 111.17 3i2b s HIS 51 Ca 0.21 0.32 -0.18 0.00 -0.15 0.00 0.00 55.06 55.26 3i2b s HIS 51 Cb -0.02 0.13 0.13 0.00 1.11 0.00 0.00 32.58 33.93 3i2b s HIS 51 CO 0.12 -0.42 1.01 -0.80 -0.85 0.00 0.00 174.74 173.80 3i2b s ASN 52 N -1.37 6.55 0.33 1.40 0.01 -1.26 -1.93 114.94 118.66 3i2b s ASN 52 Ca -0.13 -1.95 -0.28 0.00 -0.71 0.00 0.00 52.86 49.79 3i2b s ASN 52 Cb -0.04 -2.36 -0.10 0.00 0.41 0.00 0.00 41.25 39.16 3i2b s ASN 52 CO 0.04 -1.04 1.19 -0.31 -1.51 0.00 0.00 177.10 175.47 3i2b s TYR 53 N 2.48 3.27 -0.06 2.20 1.51 0.45 -4.76 117.35 122.44 3i2b s TYR 53 Ca 0.27 1.56 0.03 0.00 -1.01 0.00 0.00 57.07 57.92 3i2b s TYR 53 Cb -0.09 -3.45 -0.03 0.00 -0.11 0.00 0.00 41.96 38.28 3i2b s TYR 53 CO -0.06 -1.19 -0.13 0.15 -1.11 0.00 0.00 175.55 173.21 3i2b s LYS 54 N -1.77 2.62 -0.09 -0.62 1.02 -0.63 -1.20 119.74 119.07 3i2b s LYS 54 Ca 0.49 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.84 3i2b s LYS 54 Cb -0.34 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.53 3i2b s LYS 54 CO 0.45 0.60 -0.16 0.08 -0.92 0.00 0.00 175.35 175.40 3i2b s VAL 55 N -0.67 1.45 -0.23 3.17 1.01 0.73 -0.57 120.40 125.29 3i2b s VAL 55 Ca 0.10 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 3i2b s VAL 55 Cb -0.11 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3i2b s VAL 55 CO 0.01 0.43 0.01 -0.69 0.00 0.00 0.00 175.10 174.86 3i2b s VAL 56 N 0.71 3.86 -0.21 2.92 1.01 0.01 -1.36 120.40 127.35 3i2b s VAL 56 Ca -0.13 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 3i2b s VAL 56 Cb -0.16 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3i2b s VAL 56 CO 0.03 0.38 0.05 -0.69 0.00 0.00 0.00 175.10 174.87 3i2b s VAL 57 N 1.52 4.44 -0.14 2.92 1.01 -0.37 -0.61 120.40 129.17 3i2b s VAL 57 Ca 0.06 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.90 3i2b s VAL 57 Cb -0.15 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 3i2b s VAL 57 CO 0.00 0.41 -0.16 -0.89 0.00 0.00 0.00 175.10 174.47 3i2b s THR 58 N 0.91 2.71 0.27 3.92 2.01 -0.07 -1.29 115.64 124.10 3i2b s THR 58 Ca 0.03 -0.77 0.09 0.00 0.31 0.00 0.00 61.69 61.35 3i2b s THR 58 Cb -0.14 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 3i2b s THR 58 CO 0.02 0.52 0.04 0.68 -0.69 0.00 0.00 174.62 175.20 3i2b s VAL 59 N 0.58 3.50 0.09 3.82 -7.23 0.45 -0.94 120.40 120.67 3i2b s VAL 59 Ca -0.09 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.23 3i2b s VAL 59 Cb -0.16 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 3i2b s VAL 59 CO 0.03 -0.34 0.04 -1.38 -0.31 0.00 0.00 175.10 173.14 3i2b s HIS 60 N -2.32 0.61 -5.00 2.82 -3.43 0.10 -0.97 115.29 107.11 3i2b s HIS 60 Ca 0.32 -1.08 0.00 0.00 -0.80 0.00 0.00 55.06 53.51 3i2b s HIS 60 Cb -0.06 -0.38 0.00 0.00 -1.43 0.00 0.00 32.58 30.71 3i2b s HIS 60 CO 0.21 -0.46 0.00 0.41 -2.00 0.00 0.00 174.74 172.89 3i2b n GLY 61 N 0.00 -1.84 3.75 -1.38 0.00 -0.89 -4.55 105.19 100.29 3i2b n GLY 61 Ca -0.10 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.99 4.63 -0.24 1.61 2.12 -1.26 -1.35 118.70 122.21 3i2b s GLU 62 Ca 0.00 1.79 -0.29 0.00 0.36 0.00 0.00 54.97 56.83 3i2b s GLU 62 Cb 0.00 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 3i2b s GLU 62 CO 0.00 0.18 1.38 0.42 -0.54 0.00 0.00 175.26 176.70 3i2b s ILE 63 N -0.95 4.04 -0.11 -3.70 1.01 0.12 -4.27 121.20 117.34 3i2b s ILE 63 Ca 0.46 1.20 -0.29 0.00 0.00 0.00 0.00 60.65 62.02 3i2b s ILE 63 Cb -0.32 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 3i2b s ILE 63 CO 0.40 -0.33 1.55 -0.62 0.00 0.00 0.00 174.94 175.93 3i2b s ASP 64 N 2.96 6.69 0.56 3.58 -1.08 -0.75 -4.69 116.67 123.95 3i2b s ASP 64 Ca 0.60 2.00 0.25 0.00 -0.52 0.00 0.00 52.55 54.88 3i2b s ASP 64 Cb -0.21 -2.53 1.54 0.00 -1.46 0.00 0.00 42.92 40.26 3i2b s ASP 64 CO 0.23 -0.94 2.12 1.55 0.52 0.00 0.00 175.17 178.65 3i2b h PRO 65 N 9.39 0.00 0.00 4.34 0.13 -1.93 0.72 132.00 144.65 3i2b h PRO 65 Ca -0.35 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3i2b h PRO 65 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3i2b h PRO 65 CO 0.97 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.73 3i2b h ALA 66 N 1.86 0.00 0.00 -0.56 0.00 -1.97 -3.37 119.26 115.22 3i2b h ALA 66 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3i2b h ALA 66 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3i2b h ALA 66 CO -0.00 -0.09 -1.10 0.25 0.00 0.00 0.00 179.25 178.31 3i2b n THR 67 N -4.70 0.05 -1.93 0.00 -2.24 -1.12 -4.97 114.28 99.37 3i2b n THR 67 Ca -0.09 -0.15 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 3i2b n THR 67 Cb 0.40 0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 69.09 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 0.87 3.21 3.38 0.00 0.23 -5.02 105.19 109.29 3i2b n GLY 68 Ca 0.02 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.27 0.92 0.04 1.61 -1.94 -1.25 -4.81 119.30 109.61 3i2b s MET 69 Ca 0.00 -1.05 -0.13 0.00 -1.71 0.00 0.00 55.69 52.80 3i2b s MET 69 Cb 0.00 -0.97 -0.34 0.00 2.01 0.00 0.00 34.83 35.52 3i2b s MET 69 CO 0.00 0.22 1.03 0.28 -0.01 0.00 0.00 175.02 176.53 3i2b h VAL 70 N 4.13 1.32 -2.77 -6.03 2.07 -1.92 -1.98 116.25 111.07 3i2b h VAL 70 Ca -0.42 -2.78 -0.13 0.00 0.82 0.00 0.00 66.70 64.20 3i2b h VAL 70 Cb 1.19 3.02 -0.25 0.00 -1.52 0.00 0.00 31.29 33.73 3i2b h VAL 70 CO 0.41 0.83 -0.28 -0.32 0.02 0.00 0.00 177.57 178.23 3i2b s MET 71 N -2.61 0.42 0.06 1.57 1.75 -1.26 -4.86 119.30 114.36 3i2b s MET 71 Ca -0.08 0.61 -0.31 0.00 -1.25 0.00 0.00 55.69 54.66 3i2b s MET 71 Cb 0.05 0.13 -0.08 0.00 2.84 0.00 0.00 34.83 37.77 3i2b s MET 71 CO 0.93 -0.09 1.64 1.21 -0.65 0.00 0.00 175.02 178.06 3i2b s ASN 72 N 0.60 6.63 0.27 1.11 3.84 -1.26 -4.89 114.94 121.24 3i2b s ASN 72 Ca -0.03 2.44 0.00 0.00 0.21 0.00 0.00 52.86 55.48 3i2b s ASN 72 Cb -0.05 -2.56 0.59 0.00 -0.55 0.00 0.00 41.25 38.68 3i2b s ASN 72 CO -0.04 -0.88 1.73 0.17 -2.79 0.00 0.00 177.10 175.30 3i2b h LEU 73 N 8.67 0.42 -0.77 3.21 -0.00 -2.00 -1.56 115.31 123.27 3i2b h LEU 73 Ca -0.42 0.12 0.06 0.00 -0.00 0.00 0.00 57.88 57.63 3i2b h LEU 73 Cb 1.20 0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 41.87 3i2b h LEU 73 CO 0.93 0.12 0.46 0.00 -0.00 0.00 0.00 178.44 179.96 3i2b h ALA 74 N 1.61 1.05 -0.11 0.17 0.00 -1.99 0.20 119.26 120.19 3i2b h ALA 74 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 3i2b h ALA 74 Cb 0.79 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i2b h ALA 74 CO -0.43 0.18 0.02 -0.44 0.00 0.00 0.00 179.25 178.58 3i2b h ASP 75 N 0.85 0.18 -0.41 0.00 3.32 -1.69 -0.91 116.42 117.75 3i2b h ASP 75 Ca 0.34 -0.26 0.07 0.00 0.02 0.00 0.00 57.03 57.20 3i2b h ASP 75 Cb 0.17 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 3i2b h ASP 75 CO -0.17 0.39 0.06 0.25 -1.72 0.00 0.00 179.24 178.05 3i2b h LEU 76 N -0.05 -0.04 -0.57 1.55 5.85 -0.71 0.16 115.31 121.50 3i2b h LEU 76 Ca 0.03 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3i2b h LEU 76 Cb 0.29 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3i2b h LEU 76 CO 0.00 0.01 0.37 0.50 -0.34 0.00 0.00 178.44 178.98 3i2b h LYS 77 N 0.18 0.76 -0.79 1.25 3.64 -0.52 -0.46 116.57 120.64 3i2b h LYS 77 Ca 0.20 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3i2b h LYS 77 Cb 0.26 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 3i2b h LYS 77 CO -0.29 0.52 0.52 0.87 -2.27 0.00 0.00 179.45 178.80 3i2b h LYS 78 N 0.77 1.03 -0.58 1.90 6.56 0.32 0.62 116.57 127.20 3i2b h LYS 78 Ca 0.21 -0.06 -0.10 0.00 -1.06 0.00 0.00 60.65 59.63 3i2b h LYS 78 Cb -0.07 -0.23 -0.02 0.00 -0.57 0.00 0.00 32.23 31.34 3i2b h LYS 78 CO -0.04 0.68 -0.04 1.88 -2.06 0.00 0.00 179.45 179.87 3i2b h TYR 79 N 1.06 1.14 -0.25 -1.35 0.05 0.04 -1.55 116.97 116.11 3i2b h TYR 79 Ca 0.29 -0.21 -0.17 0.00 0.05 0.00 0.00 58.73 58.70 3i2b h TYR 79 Cb -0.11 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.33 3i2b h TYR 79 CO -0.02 1.02 -0.51 0.52 -1.05 0.00 0.00 178.16 178.12 3i2b h MET 80 N 0.94 0.71 -0.65 4.88 2.86 -0.91 0.35 114.93 123.11 3i2b h MET 80 Ca 0.16 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3i2b h MET 80 Cb 0.60 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 3i2b h MET 80 CO 0.04 1.05 0.41 1.49 1.06 0.00 0.00 176.91 180.96 3i2b h GLU 81 N 0.55 0.87 -0.00 1.72 4.57 -0.66 -0.53 114.58 121.11 3i2b h GLU 81 Ca 0.02 -0.06 -0.21 0.00 -1.18 0.00 0.00 59.36 57.92 3i2b h GLU 81 Cb 1.08 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.48 3i2b h GLU 81 CO 0.11 0.60 -0.90 1.49 -1.18 0.00 0.00 179.01 179.12 3i2b h GLU 82 N 0.88 0.32 0.00 1.92 4.81 -1.09 -0.91 114.58 120.51 3i2b h GLU 82 Ca 0.24 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3i2b h GLU 82 Cb -0.07 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3i2b h GLU 82 CO -0.05 1.03 -0.95 0.00 -0.73 0.00 0.00 179.01 178.31 3i2b n ALA 83 N -2.51 2.92 0.09 2.92 0.00 0.10 -4.50 120.51 119.54 3i2b n ALA 83 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3i2b n ALA 83 Cb 0.82 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.27 0.59 0.28 0.00 5.41 -0.22 -4.81 119.36 118.34 3i2b n ILE 84 Ca 0.01 0.20 -0.16 0.00 1.00 0.00 0.00 62.75 63.80 3i2b n ILE 84 Cb 0.48 -1.02 -0.08 0.00 -0.71 0.00 0.00 39.64 38.31 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 -0.67 -0.29 0.38 2.86 -1.33 -1.00 114.93 114.88 3i2b h MET 85 Ca 0.00 0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.74 3i2b h MET 85 Cb 0.00 0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 3i2b h MET 85 CO 0.00 -0.39 -0.04 1.96 1.06 0.00 0.00 176.91 179.50 3i2b h GLN 86 N -0.84 0.03 0.00 1.72 4.20 -1.41 -0.16 115.11 118.65 3i2b h GLN 86 Ca -0.07 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 3i2b h GLN 86 Cb 0.59 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 3i2b h GLN 86 CO 0.12 0.02 -0.30 -1.00 -0.67 0.00 0.00 178.83 176.99 3i2b h PRO 87 N 0.03 0.00 0.00 1.46 0.13 -1.78 -3.39 132.00 128.45 3i2b h PRO 87 Ca 0.14 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.19 3i2b h PRO 87 Cb 0.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 3i2b h PRO 87 CO -0.27 0.26 -1.51 1.28 -0.23 0.00 0.00 178.00 177.52 3i2b n LEU 88 N -3.15 0.00 -4.72 1.56 4.77 -0.38 -4.83 117.00 110.25 3i2b n LEU 88 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 3i2b n LEU 88 Cb 0.64 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.81 3i2b n LEU 88 CO 0.38 0.11 0.70 -0.62 -1.33 0.00 0.00 177.39 176.63 3i2b s ASP 89 N -3.60 7.37 -1.32 -1.43 2.15 -0.09 -2.77 116.67 116.98 3i2b s ASP 89 Ca -0.04 1.74 -0.05 0.00 0.43 0.00 0.00 52.55 54.63 3i2b s ASP 89 Cb 0.04 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 3i2b s ASP 89 CO 0.37 -0.23 1.03 1.41 -0.17 0.00 0.00 175.17 177.57 3i2b n HIS 90 N 3.60 -2.44 -4.39 -5.34 8.25 0.17 -4.95 115.22 110.13 3i2b n HIS 90 Ca 0.05 0.95 -0.21 0.00 -0.26 0.00 0.00 57.72 58.25 3i2b n HIS 90 Cb 0.50 -4.82 -0.10 0.00 1.12 0.00 0.00 29.99 26.69 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 -5.99 1.45 -0.38 -0.41 -0.14 -1.11 -5.01 119.74 108.14 3i2b s LYS 91 Ca 0.32 -1.62 -0.18 0.00 -1.36 0.00 0.00 55.97 53.13 3i2b s LYS 91 Cb -0.15 -1.42 0.01 0.00 -1.68 0.00 0.00 37.83 34.60 3i2b s LYS 91 CO 0.76 0.26 0.49 1.21 -0.76 0.00 0.00 175.35 177.31 3i2b s ASN 92 N -3.26 6.26 0.15 2.83 3.84 -1.26 -1.63 114.94 121.87 3i2b s ASN 92 Ca 0.24 -0.30 -0.17 0.00 0.21 0.00 0.00 52.86 52.84 3i2b s ASN 92 Cb -0.03 -2.25 0.03 0.00 -0.55 0.00 0.00 41.25 38.45 3i2b s ASN 92 CO 0.10 -0.54 1.77 -0.07 -2.79 0.00 0.00 177.10 175.57 3i2b h LEU 93 N 9.14 0.23 -0.86 3.21 3.38 -1.32 0.14 115.31 129.23 3i2b h LEU 93 Ca -0.27 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 3i2b h LEU 93 Cb 1.12 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3i2b h LEU 93 CO 0.79 0.17 -0.27 0.44 0.09 0.00 0.00 178.44 179.66 3i2b h ASP 94 N 0.34 0.00 0.00 -0.43 3.32 -1.85 -2.77 116.42 115.03 3i2b h ASP 94 Ca 0.15 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 3i2b h ASP 94 Cb 0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3i2b h ASP 94 CO -0.11 0.27 -1.71 0.23 -1.72 0.00 0.00 179.24 176.20 3i2b n MET 95 N -3.36 1.40 -0.01 3.56 2.81 -1.06 -4.35 117.12 116.11 3i2b n MET 95 Ca 0.01 -0.05 0.09 0.00 -1.81 0.00 0.00 57.70 55.94 3i2b n MET 95 Cb 0.49 -1.30 -0.13 0.00 -0.71 0.00 0.00 33.22 31.57 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 -2.23 0.85 -4.21 7.83 8.00 0.45 -4.85 116.55 122.38 3i2b n ASP 96 Ca -0.12 -0.22 -0.39 0.00 0.71 0.00 0.00 54.79 54.77 3i2b n ASP 96 Cb 0.66 1.63 -0.11 0.00 -0.02 0.00 0.00 41.12 43.28 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 -3.11 3.83 0.36 2.53 1.01 -1.04 -4.99 120.40 118.99 3i2b s VAL 97 Ca -0.03 -1.61 0.14 0.00 0.00 0.00 0.00 61.98 60.47 3i2b s VAL 97 Cb 0.12 -3.42 0.35 0.00 0.00 0.00 0.00 36.38 33.43 3i2b s VAL 97 CO 0.75 -0.54 1.76 -0.65 0.00 0.00 0.00 175.10 176.41 3i2b h PRO 98 N 8.27 0.49 -0.98 2.72 0.11 -1.89 0.81 132.00 141.54 3i2b h PRO 98 Ca -0.20 -0.03 0.21 0.00 0.11 0.00 0.00 66.00 66.09 3i2b h PRO 98 Cb 1.07 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 31.98 3i2b h PRO 98 CO 0.73 0.32 0.62 -0.92 -0.21 0.00 0.00 178.00 178.54 3i2b h TYR 99 N 0.50 0.82 -0.32 0.65 5.03 -1.94 -0.05 116.97 121.67 3i2b h TYR 99 Ca 0.61 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.95 3i2b h TYR 99 Cb 1.34 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 39.37 3i2b h TYR 99 CO -0.00 0.18 0.00 1.19 -1.32 0.00 0.00 178.16 178.21 3i2b n PHE 100 N -4.65 0.50 -0.29 -3.82 3.72 0.28 -3.78 117.46 109.43 3i2b n PHE 100 Ca 0.22 -0.23 -0.06 0.00 -0.05 0.00 0.00 57.45 57.33 3i2b n PHE 100 Cb 0.66 -0.04 0.06 0.00 -0.94 0.00 0.00 39.48 39.23 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 3.50 1.02 0.00 4.37 0.00 -1.06 -3.29 119.26 123.80 3i2b h ALA 101 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3i2b h ALA 101 Cb 0.53 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i2b h ALA 101 CO 0.03 0.67 -0.13 -0.25 0.00 0.00 0.00 179.25 179.57 3i2b n ASP 102 N -4.27 2.03 -3.99 0.00 8.00 -1.25 -4.99 116.55 112.07 3i2b n ASP 102 Ca 0.07 -3.07 -0.21 0.00 0.71 0.00 0.00 54.79 52.29 3i2b n ASP 102 Cb 0.20 -0.42 -0.16 0.00 -0.02 0.00 0.00 41.12 40.73 3i2b n ASP 102 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i2b s VAL 103 N -2.60 0.81 0.17 2.53 1.01 -1.24 -5.04 120.40 116.03 3i2b s VAL 103 Ca 0.30 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 3i2b s VAL 103 Cb 0.27 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 3i2b s VAL 103 CO 0.01 0.26 1.49 -0.69 0.00 0.00 0.00 175.10 176.18 3i2b s VAL 104 N 0.40 2.81 -0.16 2.92 1.01 -1.26 -4.62 120.40 121.51 3i2b s VAL 104 Ca -0.07 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 3i2b s VAL 104 Cb -0.11 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 3i2b s VAL 104 CO 0.01 0.06 2.79 -1.54 0.00 0.00 0.00 175.10 176.42 3i2b n SER 105 N 3.59 5.75 -4.73 3.32 3.41 -1.26 -4.67 113.62 119.03 3i2b n SER 105 Ca 0.12 -2.73 -0.31 0.00 -0.26 0.00 0.00 58.87 55.69 3i2b n SER 105 Cb 0.40 -1.25 0.12 0.00 -0.26 0.00 0.00 64.21 63.22 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 -0.52 2.93 0.35 6.66 -4.23 -1.26 -4.81 115.64 114.76 3i2b s THR 106 Ca 0.44 0.30 0.02 0.00 -1.18 0.00 0.00 61.69 61.27 3i2b s THR 106 Cb 0.25 -2.69 0.26 0.00 1.34 0.00 0.00 72.50 71.65 3i2b s THR 106 CO -0.05 -0.39 2.00 0.74 -0.54 0.00 0.00 174.62 176.38 3i2b h THR 107 N -1.39 1.17 -0.46 3.99 2.02 -1.99 -1.17 112.91 115.08 3i2b h THR 107 Ca -0.45 -0.32 0.08 0.00 0.77 0.00 0.00 66.41 66.48 3i2b h THR 107 Cb 1.25 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 3i2b h THR 107 CO 0.50 0.17 0.08 -0.33 0.37 0.00 0.00 175.52 176.31 3i2b h GLU 108 N 0.86 0.21 0.00 6.66 3.07 -1.95 -1.31 114.58 122.11 3i2b h GLU 108 Ca 0.23 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.96 3i2b h GLU 108 Cb -0.08 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 3i2b h GLU 108 CO -0.05 0.14 -0.58 -0.91 -1.40 0.00 0.00 179.01 176.21 3i2b h ASN 109 N 0.22 0.00 -0.60 1.42 2.35 -1.55 -1.94 115.58 115.47 3i2b h ASN 109 Ca 0.23 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.90 3i2b h ASN 109 Cb 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3i2b h ASN 109 CO -0.31 0.58 0.09 0.58 -1.65 0.00 0.00 177.43 176.72 3i2b h VAL 110 N 0.00 1.26 -0.44 2.81 2.07 -0.96 -1.02 116.25 119.97 3i2b h VAL 110 Ca -0.01 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 3i2b h VAL 110 Cb 1.12 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3i2b h VAL 110 CO 0.08 0.37 0.19 0.00 0.02 0.00 0.00 177.57 178.23 3i2b h ALA 111 N 1.01 0.57 -0.32 1.67 0.00 -0.95 -1.23 119.26 120.01 3i2b h ALA 111 Ca 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3i2b h ALA 111 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3i2b h ALA 111 CO 0.01 0.15 0.13 0.28 0.00 0.00 0.00 179.25 179.83 3i2b h VAL 112 N 0.57 1.18 -0.61 0.00 2.07 -1.29 -0.52 116.25 117.64 3i2b h VAL 112 Ca 0.15 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.19 3i2b h VAL 112 Cb 0.16 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 3i2b h VAL 112 CO -0.02 0.19 0.27 0.22 0.02 0.00 0.00 177.57 178.26 3i2b h TYR 113 N 0.37 0.49 -0.31 1.57 3.20 -0.95 0.16 116.97 121.51 3i2b h TYR 113 Ca 0.11 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3i2b h TYR 113 Cb 0.18 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3i2b h TYR 113 CO -0.01 0.18 0.05 0.82 -1.64 0.00 0.00 178.16 177.56 3i2b h ILE 114 N 0.50 1.23 -0.22 1.81 2.04 -0.86 -1.18 117.51 120.82 3i2b h ILE 114 Ca 0.30 -0.81 0.06 0.00 1.00 0.00 0.00 64.86 65.40 3i2b h ILE 114 Cb 0.30 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 3i2b h ILE 114 CO -0.25 0.27 -0.17 -0.25 0.00 0.00 0.00 178.15 177.75 3i2b h TRP 115 N 0.33 -0.42 -0.60 1.37 2.91 -0.41 0.71 115.95 119.84 3i2b h TRP 115 Ca 0.09 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.09 3i2b h TRP 115 Cb 0.35 0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 29.19 3i2b h TRP 115 CO 0.02 -0.24 0.18 -0.44 -1.03 0.00 0.00 178.44 176.93 3i2b h ASP 116 N -0.16 0.88 -0.92 2.65 3.32 -0.73 -0.99 116.42 120.46 3i2b h ASP 116 Ca 0.13 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3i2b h ASP 116 Cb 0.36 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 3i2b h ASP 116 CO -0.32 0.86 0.52 0.78 -1.72 0.00 0.00 179.24 179.36 3i2b h ASN 117 N 0.85 1.14 0.27 6.45 4.21 -0.72 -2.46 115.58 125.32 3i2b h ASN 117 Ca 0.19 -0.09 -0.11 0.00 1.21 0.00 0.00 56.30 57.51 3i2b h ASN 117 Cb 0.30 -0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 3i2b h ASN 117 CO -0.00 0.90 -0.43 -0.07 -1.29 0.00 0.00 177.43 176.53 3i2b h LEU 118 N 1.28 0.21 -0.66 1.61 3.38 -0.27 -2.49 115.31 118.38 3i2b h LEU 118 Ca 0.33 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3i2b h LEU 118 Cb -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3i2b h LEU 118 CO -0.06 0.62 0.00 1.56 0.09 0.00 0.00 178.44 180.65 3i2b h GLN 119 N 0.17 0.00 0.00 1.13 1.08 -0.73 0.14 115.11 116.90 3i2b h GLN 119 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3i2b h GLN 119 Cb 0.83 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 3i2b h GLN 119 CO 0.06 0.00 0.00 0.87 -0.95 0.00 0.00 178.83 178.81 3i2b h LYS 120 N 0.00 0.00 0.00 1.46 1.57 -1.20 -3.36 116.57 115.05 3i2b h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i2b h LYS 120 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3i2b h LYS 120 CO 0.00 0.00 -0.45 1.33 -0.57 0.00 0.00 179.45 179.76 3i2b n VAL 121 N -2.61 0.00 -2.37 0.50 0.24 -0.75 -5.04 118.33 108.30 3i2b n VAL 121 Ca 0.03 -0.11 -0.32 0.00 -2.04 0.00 0.00 64.34 61.90 3i2b n VAL 121 Cb 0.33 0.54 -0.03 0.00 -1.47 0.00 0.00 33.84 33.21 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 -1.77 3.61 0.78 1.34 1.43 0.42 -5.02 118.68 119.47 3i2b s LEU 122 Ca 0.00 1.57 -0.13 0.00 -1.03 0.00 0.00 54.13 54.54 3i2b s LEU 122 Cb 0.00 -4.51 0.07 0.00 0.03 0.00 0.00 46.19 41.78 3i2b s LEU 122 CO 0.00 -0.61 1.16 -2.84 0.23 0.00 0.00 176.35 174.29 3i2b s PRO 123 N -4.11 1.91 0.34 1.29 0.02 -1.26 -4.89 135.00 128.31 3i2b s PRO 123 Ca 0.59 1.57 -0.29 0.00 0.02 0.00 0.00 61.00 62.89 3i2b s PRO 123 Cb -0.10 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.48 3i2b s PRO 123 CO 0.32 -1.97 1.53 0.08 -0.33 0.00 0.00 177.00 176.64 3i2b s VAL 124 N -2.35 2.05 0.00 3.83 1.01 -1.26 -3.71 120.40 119.98 3i2b s VAL 124 Ca 0.69 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3i2b s VAL 124 Cb -0.25 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3i2b s VAL 124 CO 0.50 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3i2b n GLY 125 N 1.15 0.56 0.07 4.51 0.00 -1.26 -4.92 105.19 105.30 3i2b n GLY 125 Ca 0.04 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.80 0.86 -2.29 1.61 0.31 -1.24 -4.80 118.33 109.99 3i2b n VAL 126 Ca 0.00 -0.39 -0.42 0.00 -0.01 0.00 0.00 64.34 63.51 3i2b n VAL 126 Cb 0.00 -0.92 -0.03 0.00 -0.91 0.00 0.00 33.84 31.98 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 -5.55 4.29 -0.13 7.52 2.96 -1.26 0.01 118.68 126.52 3i2b s LEU 127 Ca -0.16 2.00 -0.02 0.00 -0.22 0.00 0.00 54.13 55.73 3i2b s LEU 127 Cb 0.05 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.11 3i2b s LEU 127 CO 0.40 -0.71 -0.13 0.00 -1.32 0.00 0.00 176.35 174.58 3i2b n TYR 128 N 5.66 0.00 -3.67 5.38 9.36 -0.12 -4.85 117.16 128.92 3i2b n TYR 128 Ca 0.13 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.22 3i2b n TYR 128 Cb 0.44 -0.48 -0.08 0.00 -0.63 0.00 0.00 39.34 38.59 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 -2.25 0.69 -0.15 2.98 2.20 -0.78 -4.66 119.74 117.77 3i2b s LYS 129 Ca -0.18 0.87 0.02 0.00 -0.36 0.00 0.00 55.97 56.33 3i2b s LYS 129 Cb 0.05 0.30 0.01 0.00 -1.51 0.00 0.00 37.83 36.69 3i2b s LYS 129 CO 0.27 -0.09 -0.21 0.08 -0.36 0.00 0.00 175.35 175.03 3i2b s VAL 130 N 0.51 2.04 -0.13 4.02 1.01 -0.42 -0.90 120.40 126.53 3i2b s VAL 130 Ca -0.01 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.03 3i2b s VAL 130 Cb -0.05 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 3i2b s VAL 130 CO -0.02 0.54 -0.20 -0.75 0.00 0.00 0.00 175.10 174.68 3i2b s LYS 131 N 0.96 3.13 -0.14 2.72 2.20 0.22 -0.96 119.74 127.87 3i2b s LYS 131 Ca -0.03 -0.81 0.01 0.00 -0.36 0.00 0.00 55.97 54.77 3i2b s LYS 131 Cb -0.15 -2.45 0.02 0.00 -1.51 0.00 0.00 37.83 33.74 3i2b s LYS 131 CO -0.05 0.11 -0.17 0.08 -0.36 0.00 0.00 175.35 174.95 3i2b s VAL 132 N 0.55 1.75 -0.38 4.02 1.01 0.24 -0.81 120.40 126.79 3i2b s VAL 132 Ca -0.12 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 3i2b s VAL 132 Cb -0.17 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3i2b s VAL 132 CO 0.04 0.49 0.32 -0.31 0.00 0.00 0.00 175.10 175.64 3i2b s TYR 133 N 1.17 3.22 0.14 5.22 1.51 0.26 -0.92 117.35 127.94 3i2b s TYR 133 Ca -0.01 -0.32 -0.06 0.00 -1.01 0.00 0.00 57.07 55.67 3i2b s TYR 133 Cb -0.14 -2.63 -0.06 0.00 -0.11 0.00 0.00 41.96 39.02 3i2b s TYR 133 CO -0.07 -0.51 1.35 1.49 -1.11 0.00 0.00 175.55 176.70 3i2b h GLU 134 N 8.57 0.55 -4.83 -0.62 4.81 -1.58 -1.67 114.58 119.82 3i2b h GLU 134 Ca -0.29 -0.49 -0.46 0.00 -0.13 0.00 0.00 59.36 57.99 3i2b h GLU 134 Cb 1.13 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 30.50 3i2b h GLU 134 CO 0.71 1.12 -0.44 0.95 -0.73 0.00 0.00 179.01 180.61 3i2b s THR 135 N -3.57 0.00 0.53 0.32 -4.23 -1.20 -4.55 115.64 102.93 3i2b s THR 135 Ca -0.07 -1.95 0.23 0.00 -1.18 0.00 0.00 61.69 58.72 3i2b s THR 135 Cb 0.09 -2.53 0.37 0.00 1.34 0.00 0.00 72.50 71.78 3i2b s THR 135 CO 0.87 0.00 2.03 0.44 -0.54 0.00 0.00 174.62 177.42 3i2b h ASP 136 N 2.10 0.01 -0.01 3.99 3.32 -1.92 -3.15 116.42 120.75 3i2b h ASP 136 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3i2b h ASP 136 Cb 1.23 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3i2b h ASP 136 CO 0.36 0.01 -0.23 0.59 -1.72 0.00 0.00 179.24 178.24 3i2b n ASN 137 N -4.41 1.57 -3.93 6.45 3.02 -1.26 -4.92 115.26 111.78 3i2b n ASN 137 Ca 0.07 -1.29 -0.29 0.00 -0.03 0.00 0.00 54.58 53.04 3i2b n ASN 137 Cb 0.50 0.39 -0.16 0.00 -0.61 0.00 0.00 39.78 39.90 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 -1.59 3.16 0.02 6.41 0.01 -1.19 -5.11 114.94 116.65 3i2b s ASN 138 Ca 0.12 -0.81 0.05 0.00 -0.71 0.00 0.00 52.86 51.51 3i2b s ASN 138 Cb 0.11 -1.06 -0.02 0.00 0.41 0.00 0.00 41.25 40.70 3i2b s ASN 138 CO 0.31 -0.18 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.96 3i2b s ILE 139 N 1.52 1.09 -0.02 0.60 1.01 -1.26 -1.56 121.20 122.57 3i2b s ILE 139 Ca -0.01 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.86 3i2b s ILE 139 Cb -0.16 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 3i2b s ILE 139 CO -0.08 0.11 -0.19 -0.69 0.00 0.00 0.00 174.94 174.09 3i2b s VAL 140 N -0.65 1.54 -0.10 2.92 1.01 -0.10 -4.99 120.40 120.04 3i2b s VAL 140 Ca 0.03 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3i2b s VAL 140 Cb -0.07 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3i2b s VAL 140 CO 0.01 0.44 -0.22 -0.69 0.00 0.00 0.00 175.10 174.64 3i2b s VAL 141 N -0.36 1.91 -0.05 2.92 1.01 -1.26 -0.59 120.40 123.98 3i2b s VAL 141 Ca 0.05 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.16 3i2b s VAL 141 Cb -0.08 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 3i2b s VAL 141 CO -0.00 0.53 -0.20 -0.47 0.00 0.00 0.00 175.10 174.95 3i2b s TYR 142 N 0.49 1.99 -0.09 5.22 5.04 -0.13 -5.01 117.35 124.85 3i2b s TYR 142 Ca -0.16 -0.58 0.13 0.00 -2.44 0.00 0.00 57.07 54.02 3i2b s TYR 142 Cb -0.17 -1.32 0.21 0.00 0.35 0.00 0.00 41.96 41.03 3i2b s TYR 142 CO 0.06 -0.18 1.11 1.63 -1.34 0.00 0.00 175.55 176.83 3i2b n LYS 143 N 3.06 0.89 -1.10 4.97 5.02 -1.26 -1.31 118.16 128.45 3i2b n LYS 143 Ca -0.18 -2.13 -0.03 0.00 -2.02 0.00 0.00 58.31 53.95 3i2b n LYS 143 Cb 0.53 -1.19 -0.01 0.00 -0.02 0.00 0.00 35.03 34.33 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 -0.98 0.62 0.67 0.72 0.00 -1.26 -4.93 105.19 100.03 3i2b n GLY 144 Ca 0.11 -0.94 0.13 0.00 0.00 0.00 0.00 46.02 45.33 3i2b n GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50