#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2o n ASN 15 N 0.00 2.38 -0.51 0.55 3.02 -1.26 -5.11 115.26 114.33 3d2o n ASN 15 Ca 0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3d2o n ASN 15 Cb 0.00 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 3d2o n ASN 15 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3d2o n LEU 16 N -3.16 -1.90 -4.81 3.41 4.32 -1.26 -4.95 117.00 108.64 3d2o n LEU 16 Ca -0.35 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.31 3d2o n LEU 16 Cb 0.86 -0.95 -0.04 0.00 -1.62 0.00 0.00 43.42 41.67 3d2o n LEU 16 CO 0.18 0.00 0.69 -2.16 -1.22 0.00 0.00 177.39 174.88 3d2o s PRO 17 N -2.93 3.86 -0.19 3.23 0.04 -1.26 -4.24 135.00 133.51 3d2o s PRO 17 Ca 0.00 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.16 3d2o s PRO 17 Cb 0.00 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 3d2o s PRO 17 CO 0.00 -0.35 0.02 0.42 0.04 0.00 0.00 177.00 177.13 3d2o s ILE 18 N -2.27 4.24 0.14 0.56 1.01 0.10 -4.90 121.20 120.09 3d2o s ILE 18 Ca 0.63 -0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.87 3d2o s ILE 18 Cb -0.13 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.44 3d2o s ILE 18 CO 0.24 0.43 1.68 0.78 0.00 0.00 0.00 174.94 178.07 3d2o h ASN 19 N 7.24 -0.36 -3.41 3.58 2.35 -1.90 -0.71 115.58 122.38 3d2o h ASN 19 Ca -0.35 0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.33 3d2o h ASN 19 Cb 1.18 0.20 -0.28 0.00 0.05 0.00 0.00 38.32 39.48 3d2o h ASN 19 CO 0.63 -0.14 -0.39 -1.10 -1.65 0.00 0.00 177.43 174.78 3d2o s GLN 20 N -6.19 0.30 0.00 0.81 -1.52 -1.26 -3.93 119.66 107.88 3d2o s GLN 20 Ca -0.14 0.59 0.00 0.00 -1.95 0.00 0.00 55.36 53.87 3d2o s GLN 20 Cb 0.12 -0.03 -0.00 0.00 -0.22 0.00 0.00 33.01 32.88 3d2o s GLN 20 CO 0.69 -0.14 -0.01 0.54 -0.25 0.00 0.00 175.29 176.12 3d2o s VAL 21 N 1.08 0.06 0.00 1.09 0.11 0.33 -4.89 120.40 118.17 3d2o s VAL 21 Ca -0.07 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 3d2o s VAL 21 Cb -0.08 -0.08 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 3d2o s VAL 21 CO -0.08 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.25 3d2o n GLY 22 N 2.88 -0.56 3.44 6.54 0.00 -1.26 -0.41 105.19 115.83 3d2o n GLY 22 Ca -0.14 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 3d2o n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3d2o s ILE 23 N -0.57 2.48 0.00 -0.61 -4.36 0.21 -4.99 121.20 113.37 3d2o s ILE 23 Ca 0.00 -1.86 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 3d2o s ILE 23 Cb 0.00 -2.17 -0.01 0.00 1.25 0.00 0.00 42.46 41.54 3d2o s ILE 23 CO 0.00 -0.04 -0.03 -0.75 0.24 0.00 0.00 174.94 174.36 3d2o s LYS 24 N -2.48 0.23 -1.31 0.37 2.20 -1.26 -1.08 119.74 116.41 3d2o s LYS 24 Ca 0.19 -0.19 -0.06 0.00 -0.36 0.00 0.00 55.97 55.55 3d2o s LYS 24 Cb -0.09 -0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.08 3d2o s LYS 24 CO 0.10 0.04 1.09 -0.25 -0.36 0.00 0.00 175.35 175.97 3d2o n ASP 25 N 2.75 -4.56 -4.68 1.43 8.00 -0.47 -4.96 116.55 114.06 3d2o n ASP 25 Ca -0.14 -0.59 -0.43 0.00 0.71 0.00 0.00 54.79 54.34 3d2o n ASP 25 Cb 0.58 -4.97 -0.02 0.00 -0.02 0.00 0.00 41.12 36.69 3d2o n ASP 25 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3d2o s LEU 26 N -6.95 4.22 -0.01 0.64 2.96 -0.89 -4.82 118.68 113.83 3d2o s LEU 26 Ca 0.36 1.58 -0.13 0.00 -0.22 0.00 0.00 54.13 55.72 3d2o s LEU 26 Cb -0.16 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 3d2o s LEU 26 CO 0.74 -0.55 0.37 -0.60 -1.32 0.00 0.00 176.35 174.99 3d2o s ARG 27 N 2.42 3.84 -0.27 1.98 3.52 -1.26 -0.15 118.95 129.03 3d2o s ARG 27 Ca 0.50 0.32 -0.20 0.00 -0.13 0.00 0.00 55.73 56.21 3d2o s ARG 27 Cb -0.19 -3.20 0.07 0.00 -1.56 0.00 0.00 34.95 30.07 3d2o s ARG 27 CO 0.16 0.70 0.69 0.12 -0.81 0.00 0.00 175.30 176.16 3d2o s PHE 28 N -1.09 -0.90 0.30 5.12 5.36 -0.55 -4.98 117.98 121.24 3d2o s PHE 28 Ca 0.23 1.99 -0.27 0.00 -0.96 0.00 0.00 56.93 57.92 3d2o s PHE 28 Cb -0.16 0.43 -0.10 0.00 -0.34 0.00 0.00 43.02 42.86 3d2o s PHE 28 CO 0.12 -0.44 0.96 -1.25 -1.46 0.00 0.00 175.22 173.15 3d2o s PRO 29 N 0.96 4.63 0.07 10.12 0.04 -1.26 -0.95 135.00 148.61 3d2o s PRO 29 Ca -0.05 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.44 3d2o s PRO 29 Cb -0.05 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.52 3d2o s PRO 29 CO -0.09 0.31 -0.10 0.96 0.04 0.00 0.00 177.00 178.12 3d2o s ILE 30 N -1.47 0.87 -0.16 0.56 -4.36 -0.43 -4.88 121.20 111.32 3d2o s ILE 30 Ca 0.48 -1.40 -0.04 0.00 -0.26 0.00 0.00 60.65 59.43 3d2o s ILE 30 Cb -0.22 -1.08 -0.03 0.00 1.25 0.00 0.00 42.46 42.39 3d2o s ILE 30 CO 0.27 -0.43 -0.04 -0.89 0.24 0.00 0.00 174.94 174.09 3d2o s THR 31 N -1.87 3.81 -0.09 8.37 2.01 -1.26 0.19 115.64 126.80 3d2o s THR 31 Ca -0.01 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.63 3d2o s THR 31 Cb -0.07 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 3d2o s THR 31 CO 0.01 0.48 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.05 3d2o s LEU 32 N 0.49 2.62 -0.20 4.42 2.96 0.18 -1.19 118.68 127.97 3d2o s LEU 32 Ca -0.04 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 3d2o s LEU 32 Cb -0.14 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 3d2o s LEU 32 CO 0.03 0.23 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.49 3d2o s LYS 33 N -0.06 3.44 0.31 1.98 2.20 0.58 -1.31 119.74 126.89 3d2o s LYS 33 Ca -0.03 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 54.99 3d2o s LYS 33 Cb -0.14 -2.95 -0.01 0.00 -1.51 0.00 0.00 37.83 33.22 3d2o s LYS 33 CO 0.04 -0.06 0.06 0.25 -0.36 0.00 0.00 175.35 175.29 3d2o n THR 34 N 4.38 0.00 -0.06 3.43 -2.24 -0.43 -4.54 114.28 114.82 3d2o n THR 34 Ca -0.18 -1.65 0.20 0.00 -2.27 0.00 0.00 64.05 60.15 3d2o n THR 34 Cb 0.51 0.50 0.64 0.00 -2.10 0.00 0.00 70.33 69.88 3d2o n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d2o h ALA 35 N 1.36 2.43 -0.02 6.98 0.00 -2.01 -2.61 119.26 125.39 3d2o h ALA 35 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3d2o h ALA 35 Cb 0.85 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3d2o h ALA 35 CO 0.40 -0.60 -0.19 0.39 0.00 0.00 0.00 179.25 179.24 3d2o n GLU 36 N -4.40 1.55 -0.40 0.00 1.02 -1.26 -5.04 120.64 112.12 3d2o n GLU 36 Ca 0.12 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.11 3d2o n GLU 36 Cb 0.62 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 3d2o n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d2o n GLY 37 N 1.33 0.69 3.71 0.62 0.00 -0.99 -5.12 105.19 105.44 3d2o n GLY 37 Ca 0.13 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 3d2o n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d2o s THR 38 N -1.57 4.38 0.03 2.61 2.01 -1.26 -1.31 115.64 120.53 3d2o s THR 38 Ca 0.00 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.46 3d2o s THR 38 Cb 0.00 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.58 3d2o s THR 38 CO 0.00 0.44 0.21 0.00 -0.69 0.00 0.00 174.62 174.57 3d2o s GLN 39 N -1.42 0.69 -0.21 4.92 -2.07 -0.42 -4.96 119.66 116.18 3d2o s GLN 39 Ca 0.19 -0.58 -0.12 0.00 -1.82 0.00 0.00 55.36 53.03 3d2o s GLN 39 Cb -0.12 0.29 -0.05 0.00 -1.09 0.00 0.00 33.01 32.04 3d2o s GLN 39 CO 0.09 -0.20 0.22 -1.12 -1.32 0.00 0.00 175.29 172.96 3d2o s SER 40 N -1.99 6.25 0.10 12.60 0.01 -1.26 0.48 113.70 129.89 3d2o s SER 40 Ca -0.06 0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.50 3d2o s SER 40 Cb -0.02 -2.14 -0.01 0.00 0.21 0.00 0.00 66.02 64.07 3d2o s SER 40 CO -0.03 0.07 0.06 1.07 0.41 0.00 0.00 173.24 174.82 3d2o n THR 41 N 4.01 0.00 -4.52 1.44 5.66 0.13 -4.99 114.28 116.00 3d2o n THR 41 Ca -0.13 -0.64 -0.28 0.00 -3.05 0.00 0.00 64.05 59.94 3d2o n THR 41 Cb 0.52 0.29 -0.17 0.00 -1.55 0.00 0.00 70.33 69.42 3d2o n THR 41 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3d2o s VAL 42 N -2.20 1.50 0.30 1.08 1.01 -1.26 -1.32 120.40 119.50 3d2o s VAL 42 Ca 0.09 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3d2o s VAL 42 Cb 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3d2o s VAL 42 CO 0.06 0.44 0.22 0.00 0.00 0.00 0.00 175.10 175.82 3d2o s ALA 43 N 0.91 3.66 -0.12 5.51 0.00 -0.13 -4.17 121.76 127.43 3d2o s ALA 43 Ca -0.08 -1.57 -0.01 0.00 0.00 0.00 0.00 51.96 50.30 3d2o s ALA 43 Cb -0.15 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 3d2o s ALA 43 CO -0.00 0.13 -0.08 1.03 0.00 0.00 0.00 175.76 176.84 3d2o s ARG 44 N -3.90 3.24 -0.10 0.00 1.81 0.70 -1.47 118.95 119.22 3d2o s ARG 44 Ca 0.37 -0.58 0.00 0.00 -1.72 0.00 0.00 55.73 53.80 3d2o s ARG 44 Cb -0.06 -2.71 -0.02 0.00 -0.45 0.00 0.00 34.95 31.70 3d2o s ARG 44 CO 0.25 0.39 -0.10 -0.51 -0.68 0.00 0.00 175.30 174.65 3d2o s LEU 45 N -0.07 2.93 -0.17 2.53 1.02 0.79 -1.41 118.68 124.30 3d2o s LEU 45 Ca 0.00 -0.19 -0.01 0.00 0.02 0.00 0.00 54.13 53.95 3d2o s LEU 45 Cb -0.13 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.42 3d2o s LEU 45 CO 0.03 0.25 -0.11 -0.89 0.02 0.00 0.00 176.35 175.65 3d2o s THR 46 N -0.13 3.03 -0.14 5.49 2.01 -0.55 -1.37 115.64 123.99 3d2o s THR 46 Ca 0.00 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 3d2o s THR 46 Cb -0.13 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.10 3d2o s THR 46 CO 0.03 0.49 -0.03 -0.04 -0.69 0.00 0.00 174.62 174.38 3d2o s MET 47 N 0.90 1.13 0.03 4.92 -1.94 -0.24 -0.89 119.30 123.21 3d2o s MET 47 Ca -0.03 -0.29 -0.00 0.00 -1.71 0.00 0.00 55.69 53.66 3d2o s MET 47 Cb -0.15 -1.68 -0.03 0.00 2.01 0.00 0.00 34.83 34.98 3d2o s MET 47 CO -0.00 -0.40 -0.03 0.95 -0.01 0.00 0.00 175.02 175.53 3d2o s THR 48 N 1.77 0.15 0.30 2.05 -4.23 -0.65 -0.62 115.64 114.41 3d2o s THR 48 Ca 0.02 -1.24 0.04 0.00 -1.18 0.00 0.00 61.69 59.33 3d2o s THR 48 Cb -0.14 -0.73 -0.06 0.00 1.34 0.00 0.00 72.50 72.91 3d2o s THR 48 CO -0.07 -0.68 0.04 0.68 -0.54 0.00 0.00 174.62 174.04 3d2o s VAL 49 N -2.37 1.20 0.21 2.29 -7.23 0.46 -0.90 120.40 114.06 3d2o s VAL 49 Ca -0.07 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 57.78 3d2o s VAL 49 Cb -0.03 -2.69 -0.08 0.00 0.56 0.00 0.00 36.38 34.13 3d2o s VAL 49 CO -0.04 -0.08 0.93 -0.47 -0.31 0.00 0.00 175.10 175.13 3d2o s TYR 50 N -3.30 3.96 -0.25 2.82 5.04 -0.21 -0.51 117.35 124.89 3d2o s TYR 50 Ca 0.35 1.88 -0.02 0.00 -2.44 0.00 0.00 57.07 56.83 3d2o s TYR 50 Cb 0.08 -2.98 0.02 0.00 0.35 0.00 0.00 41.96 39.43 3d2o s TYR 50 CO 0.14 0.42 -0.05 -1.17 -1.34 0.00 0.00 175.55 173.56 3d2o s LEU 51 N -0.98 3.19 0.70 6.97 2.96 -0.27 -4.69 118.68 126.55 3d2o s LEU 51 Ca 0.42 -0.78 -0.13 0.00 -0.22 0.00 0.00 54.13 53.41 3d2o s LEU 51 Cb -0.25 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.76 3d2o s LEU 51 CO 0.31 -0.12 1.10 -2.16 -1.32 0.00 0.00 176.35 174.17 3d2o s PRO 52 N 1.36 2.61 0.31 0.98 0.04 -1.26 0.01 135.00 139.05 3d2o s PRO 52 Ca 0.01 1.31 0.05 0.00 0.04 0.00 0.00 61.00 62.41 3d2o s PRO 52 Cb -0.16 -1.93 0.84 0.00 0.04 0.00 0.00 34.50 33.28 3d2o s PRO 52 CO -0.04 -1.38 1.62 0.00 0.04 0.00 0.00 177.00 177.23 3d2o h ALA 53 N -0.38 1.41 0.00 8.56 0.00 -1.91 -2.01 119.26 124.92 3d2o h ALA 53 Ca -0.46 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3d2o h ALA 53 Cb 1.24 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3d2o h ALA 53 CO 0.53 -0.58 0.00 -0.85 0.00 0.00 0.00 179.25 178.36 3d2o n GLU 54 N -5.30 0.02 -3.68 0.00 0.28 -1.26 -4.45 120.64 106.24 3d2o n GLU 54 Ca 0.25 0.08 -0.36 0.00 -0.16 0.00 0.00 57.16 56.97 3d2o n GLU 54 Cb 0.81 -1.52 -0.07 0.00 1.43 0.00 0.00 31.44 32.09 3d2o n GLU 54 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 3d2o s GLN 55 N -3.01 4.08 0.05 3.44 0.74 -0.76 -5.00 119.66 119.20 3d2o s GLN 55 Ca 0.12 -0.07 -0.19 0.00 0.05 0.00 0.00 55.36 55.27 3d2o s GLN 55 Cb 0.16 -3.38 -0.14 0.00 1.10 0.00 0.00 33.01 30.75 3d2o s GLN 55 CO 0.47 0.37 1.32 -0.22 -0.55 0.00 0.00 175.29 176.68 3d2o h LYS 56 N 6.31 0.43 -3.53 1.67 3.64 -1.87 -3.45 116.57 119.77 3d2o h LYS 56 Ca -0.44 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 58.64 3d2o h LYS 56 Cb 1.17 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.92 3d2o h LYS 56 CO 0.72 0.84 -0.08 0.20 -2.27 0.00 0.00 179.45 178.87 3d2o s GLY 57 N -3.58 0.30 0.00 5.01 0.00 -1.26 -5.16 107.32 102.63 3d2o s GLY 57 Ca -0.14 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 43.94 3d2o s GLY 57 CO 0.78 -0.51 0.00 -0.37 0.00 0.00 0.00 173.10 173.00 3d2o n THR 58 N -0.35 0.00 -3.89 0.90 5.66 -1.26 -5.09 114.28 110.25 3d2o n THR 58 Ca -0.05 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.66 3d2o n THR 58 Cb 0.62 -1.38 -0.13 0.00 -1.55 0.00 0.00 70.33 67.89 3d2o n THR 58 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3d2o s HIS 59 N 0.38 3.06 0.33 1.09 0.09 -1.26 -5.00 115.29 113.97 3d2o s HIS 59 Ca 0.00 -3.10 0.06 0.00 -0.00 0.00 0.00 55.06 52.02 3d2o s HIS 59 Cb 0.00 -2.63 0.57 0.00 -0.00 0.00 0.00 32.58 30.52 3d2o s HIS 59 CO 0.00 -0.70 1.81 0.52 -0.00 0.00 0.00 174.74 176.37 3d2o h MET 60 N 6.26 0.39 0.00 1.40 2.86 -1.98 -2.22 114.93 121.64 3d2o h MET 60 Ca -0.01 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3d2o h MET 60 Cb 0.86 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3d2o h MET 60 CO 0.66 0.56 0.00 0.66 1.06 0.00 0.00 176.91 179.85 3d2o h SER 61 N 0.36 0.00 1.04 1.22 4.64 -2.01 -3.07 113.55 115.72 3d2o h SER 61 Ca 0.06 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 3d2o h SER 61 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3d2o h SER 61 CO 0.03 0.00 -0.48 0.03 -0.87 0.00 0.00 176.83 175.54 3d2o h ARG 62 N 0.00 0.00 -0.39 4.77 3.08 -1.82 -0.68 114.38 119.34 3d2o h ARG 62 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3d2o h ARG 62 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3d2o h ARG 62 CO 0.00 0.48 0.08 0.74 -1.07 0.00 0.00 179.97 180.20 3d2o h PHE 63 N 0.00 0.67 -0.29 3.04 0.04 -1.67 -1.78 116.94 116.95 3d2o h PHE 63 Ca -0.00 -0.09 -0.18 0.00 2.80 0.00 0.00 57.97 60.50 3d2o h PHE 63 Cb 1.13 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 39.10 3d2o h PHE 63 CO 0.00 0.66 -0.53 0.28 -0.60 0.00 0.00 178.31 178.12 3d2o h VAL 64 N 0.49 1.28 -0.67 -0.55 2.07 -1.63 -3.05 116.25 114.17 3d2o h VAL 64 Ca 0.12 -1.71 0.12 0.00 0.82 0.00 0.00 66.70 66.04 3d2o h VAL 64 Cb 0.34 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.63 3d2o h VAL 64 CO 0.00 0.56 0.25 0.00 0.02 0.00 0.00 177.57 178.40 3d2o h ALA 65 N 0.73 0.90 -0.16 1.67 0.00 -1.02 -1.62 119.26 119.75 3d2o h ALA 65 Ca 0.02 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3d2o h ALA 65 Cb 1.13 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3d2o h ALA 65 CO 0.12 -0.20 -0.04 1.25 0.00 0.00 0.00 179.25 180.37 3d2o h LEU 66 N 0.42 -0.16 -0.59 0.00 5.85 -1.22 0.32 115.31 119.92 3d2o h LEU 66 Ca 0.35 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.10 3d2o h LEU 66 Cb 0.49 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3d2o h LEU 66 CO -0.36 -0.06 0.27 0.24 -0.34 0.00 0.00 178.44 178.20 3d2o h MET 67 N -0.00 0.86 -0.82 1.25 2.86 -1.36 -1.80 114.93 115.92 3d2o h MET 67 Ca 0.08 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3d2o h MET 67 Cb 0.12 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 3d2o h MET 67 CO -0.17 0.71 0.44 0.93 1.06 0.00 0.00 176.91 179.88 3d2o h GLU 68 N 0.81 1.15 -0.19 1.72 4.39 -1.04 -3.09 114.58 118.33 3d2o h GLU 68 Ca 0.20 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.63 3d2o h GLU 68 Cb 0.14 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3d2o h GLU 68 CO -0.02 0.85 -0.43 1.96 -1.16 0.00 0.00 179.01 180.21 3d2o h GLN 69 N 1.14 0.46 -5.94 2.33 4.20 -0.59 -3.44 115.11 113.28 3d2o h GLN 69 Ca 0.29 -0.24 -0.58 0.00 0.06 0.00 0.00 58.65 58.18 3d2o h GLN 69 Cb 0.05 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.77 3d2o h GLN 69 CO -0.04 0.81 -0.09 -1.01 -0.67 0.00 0.00 178.83 177.82 3d2o s HIS 70 N -4.16 3.62 0.00 2.96 3.76 -0.71 -4.92 115.29 115.84 3d2o s HIS 70 Ca -0.06 1.05 0.00 0.00 -0.15 0.00 0.00 55.06 55.89 3d2o s HIS 70 Cb 0.12 -2.53 0.00 0.00 1.11 0.00 0.00 32.58 31.28 3d2o s HIS 70 CO 0.81 0.33 0.04 0.25 -0.85 0.00 0.00 174.74 175.32 3d2o n THR 71 N 2.95 0.00 -1.87 1.30 -2.24 -1.26 -4.94 114.28 108.22 3d2o n THR 71 Ca -0.08 -0.40 -0.31 0.00 -2.27 0.00 0.00 64.05 60.99 3d2o n THR 71 Cb 0.51 1.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.78 3d2o n THR 71 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3d2o s GLU 72 N -0.72 3.46 0.29 -0.78 2.02 -1.26 -4.99 118.70 116.73 3d2o s GLU 72 Ca 0.00 0.85 -0.29 0.00 0.02 0.00 0.00 54.97 55.55 3d2o s GLU 72 Cb 0.00 -2.06 -0.10 0.00 0.10 0.00 0.00 34.13 32.07 3d2o s GLU 72 CO 0.00 -0.68 1.19 0.08 0.02 0.00 0.00 175.26 175.87 3d2o s VAL 73 N -3.04 3.20 0.11 2.63 1.01 -1.26 -4.87 120.40 118.18 3d2o s VAL 73 Ca 0.57 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 3d2o s VAL 73 Cb -0.12 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 3d2o s VAL 73 CO 0.51 0.28 1.05 -0.22 0.00 0.00 0.00 175.10 176.71 3d2o s LEU 74 N -1.46 4.46 0.00 3.92 2.96 -0.33 -4.77 118.68 123.46 3d2o s LEU 74 Ca 0.47 1.92 -0.10 0.00 -0.22 0.00 0.00 54.13 56.20 3d2o s LEU 74 Cb -0.35 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 42.79 3d2o s LEU 74 CO 0.45 -0.21 0.61 -0.90 -1.32 0.00 0.00 176.35 174.98 3d2o n ASP 75 N 2.93 -1.76 -0.24 3.68 5.68 -1.26 -0.30 116.55 125.27 3d2o n ASP 75 Ca 0.04 -2.36 -0.01 0.00 -0.50 0.00 0.00 54.79 51.96 3d2o n ASP 75 Cb 0.48 2.98 0.11 0.00 -1.14 0.00 0.00 41.12 43.55 3d2o n ASP 75 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3d2o h PHE 76 N 1.82 0.72 -0.48 2.11 3.57 -1.96 -0.01 116.94 122.72 3d2o h PHE 76 Ca -0.27 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.14 3d2o h PHE 76 Cb 1.01 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3d2o h PHE 76 CO 0.00 0.33 -0.17 0.00 -2.23 0.00 0.00 178.31 176.25 3d2o h ALA 77 N 1.37 0.66 -0.03 2.41 0.00 -1.97 -2.87 119.26 118.84 3d2o h ALA 77 Ca 0.32 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3d2o h ALA 77 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3d2o h ALA 77 CO -0.19 0.61 -0.63 0.37 0.00 0.00 0.00 179.25 179.41 3d2o h GLN 78 N 0.81 0.10 -0.72 0.00 5.75 -1.76 -1.39 115.11 117.90 3d2o h GLN 78 Ca 0.11 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 3d2o h GLN 78 Cb 0.74 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.27 3d2o h GLN 78 CO 0.06 0.70 0.25 1.25 -2.65 0.00 0.00 178.83 178.43 3d2o h LEU 79 N 0.07 1.03 0.47 -2.39 5.85 -0.96 0.96 115.31 120.35 3d2o h LEU 79 Ca -0.01 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3d2o h LEU 79 Cb 1.13 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3d2o h LEU 79 CO 0.09 0.95 -0.33 -0.74 -0.34 0.00 0.00 178.44 178.07 3d2o h HIS 80 N 1.06 -0.88 -0.81 1.25 2.76 -1.24 -1.59 115.15 115.68 3d2o h HIS 80 Ca 0.24 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.52 3d2o h HIS 80 Cb 0.28 0.33 -0.06 0.00 1.55 0.00 0.00 27.41 29.50 3d2o h HIS 80 CO 0.02 -0.49 0.53 -0.09 -1.30 0.00 0.00 177.93 176.60 3d2o h ARG 81 N -0.78 0.63 -0.14 5.26 2.43 -1.02 -1.21 114.38 119.56 3d2o h ARG 81 Ca -0.05 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3d2o h ARG 81 Cb 0.66 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3d2o h ARG 81 CO 0.02 0.42 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.79 3d2o h LEU 82 N 0.65 0.27 -0.81 3.80 3.38 -0.59 0.23 115.31 122.23 3d2o h LEU 82 Ca 0.39 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3d2o h LEU 82 Cb 0.61 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3d2o h LEU 82 CO -0.16 0.58 0.43 0.74 0.09 0.00 0.00 178.44 180.12 3d2o h THR 83 N -0.05 1.24 -0.20 0.22 2.02 -0.94 0.20 112.91 115.40 3d2o h THR 83 Ca 0.03 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 3d2o h THR 83 Cb 0.46 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3d2o h THR 83 CO 0.01 0.28 -0.19 0.00 0.37 0.00 0.00 175.52 175.99 3d2o h ALA 84 N 1.22 0.29 -0.98 6.16 0.00 -1.20 -2.21 119.26 122.55 3d2o h ALA 84 Ca 0.28 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3d2o h ALA 84 Cb 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3d2o h ALA 84 CO -0.04 0.21 0.64 1.49 0.00 0.00 0.00 179.25 181.55 3d2o h GLU 85 N 0.15 1.30 0.18 0.00 4.81 -0.79 -2.70 114.58 117.52 3d2o h GLU 85 Ca 0.03 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3d2o h GLU 85 Cb 0.73 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 3d2o h GLU 85 CO 0.05 0.87 -0.24 1.98 -0.73 0.00 0.00 179.01 180.94 3d2o h MET 86 N 1.33 -0.46 -0.18 1.92 4.05 -0.45 0.04 114.93 121.20 3d2o h MET 86 Ca 0.36 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.80 3d2o h MET 86 Cb -0.14 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 3d2o h MET 86 CO -0.08 -0.30 0.07 -0.39 0.23 0.00 0.00 176.91 176.44 3d2o h VAL 87 N -0.47 1.07 -0.11 -5.77 -1.51 -1.24 -1.06 116.25 107.15 3d2o h VAL 87 Ca 0.01 -0.22 -0.10 0.00 -1.23 0.00 0.00 66.70 65.17 3d2o h VAL 87 Cb 0.47 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 3d2o h VAL 87 CO -0.10 0.08 -0.30 0.00 -1.23 0.00 0.00 177.57 176.02 3d2o h ALA 88 N 1.84 0.18 -0.70 5.19 0.00 -1.26 0.80 119.26 125.32 3d2o h ALA 88 Ca 0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3d2o h ALA 88 Cb 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3d2o h ALA 88 CO -0.01 0.21 0.41 1.25 0.00 0.00 0.00 179.25 181.11 3d2o h LEU 89 N -0.04 0.84 -1.24 0.00 5.85 -0.55 -2.38 115.31 117.80 3d2o h LEU 89 Ca -0.01 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3d2o h LEU 89 Cb 0.92 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3d2o h LEU 89 CO 0.07 0.66 0.00 0.18 -0.34 0.00 0.00 178.44 179.00 3d2o n LEU 90 N -4.39 1.90 -3.55 2.25 4.32 -0.44 -4.96 117.00 112.13 3d2o n LEU 90 Ca 0.07 -0.71 -0.22 0.00 -0.02 0.00 0.00 56.01 55.14 3d2o n LEU 90 Cb 0.08 -0.06 0.05 0.00 -1.62 0.00 0.00 43.42 41.87 3d2o n LEU 90 CO 0.37 0.35 -0.02 0.47 -1.22 0.00 0.00 177.39 177.34 3d2o n ASP 91 N 0.47 -3.61 -4.25 -1.43 8.00 -0.83 -4.84 116.55 110.07 3d2o n ASP 91 Ca 0.17 -0.81 -0.14 0.00 0.71 0.00 0.00 54.79 54.72 3d2o n ASP 91 Cb 0.40 -4.32 -0.10 0.00 -0.02 0.00 0.00 41.12 37.07 3d2o n ASP 91 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3d2o s SER 92 N -3.91 1.09 0.07 -2.24 0.15 0.22 -5.04 113.70 104.03 3d2o s SER 92 Ca 0.23 -1.23 0.24 0.00 0.70 0.00 0.00 55.95 55.89 3d2o s SER 92 Cb -0.05 0.15 0.22 0.00 -1.71 0.00 0.00 66.02 64.63 3d2o s SER 92 CO 0.80 -0.62 1.19 -2.11 1.20 0.00 0.00 173.24 173.69 3d2o n ARG 93 N -0.27 0.25 -3.50 5.44 1.85 -1.26 -4.53 116.66 114.63 3d2o n ARG 93 Ca -0.05 0.03 -0.15 0.00 -1.00 0.00 0.00 57.85 56.68 3d2o n ARG 93 Cb 0.64 -1.62 -0.05 0.00 -1.05 0.00 0.00 32.46 30.38 3d2o n ARG 93 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3d2o s ALA 94 N -3.16 -1.75 -0.06 2.89 0.00 -1.26 -1.28 121.76 117.13 3d2o s ALA 94 Ca 0.06 1.16 -0.31 0.00 0.00 0.00 0.00 51.96 52.86 3d2o s ALA 94 Cb 0.14 0.13 0.12 0.00 0.00 0.00 0.00 23.12 23.52 3d2o s ALA 94 CO 0.76 -0.46 1.37 0.20 0.00 0.00 0.00 175.76 177.62 3d2o s GLY 95 N -1.58 -0.36 0.01 0.00 0.00 -0.45 -1.05 107.32 103.89 3d2o s GLY 95 Ca -0.07 0.59 0.02 0.00 0.00 0.00 0.00 44.72 45.26 3d2o s GLY 95 CO 0.03 2.47 -0.07 0.54 0.00 0.00 0.00 173.10 176.06 3d2o s LYS 96 N -2.10 0.55 -0.13 2.90 1.02 -0.08 -0.24 119.74 121.66 3d2o s LYS 96 Ca 0.21 -0.44 0.03 0.00 0.02 0.00 0.00 55.97 55.78 3d2o s LYS 96 Cb 0.04 -0.47 0.01 0.00 -0.52 0.00 0.00 37.83 36.90 3d2o s LYS 96 CO -0.04 0.12 -0.20 0.42 -0.92 0.00 0.00 175.35 174.72 3d2o s ILE 97 N -0.60 1.91 -0.11 2.17 1.01 -0.28 -1.64 121.20 123.65 3d2o s ILE 97 Ca -0.02 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.77 3d2o s ILE 97 Cb -0.05 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.73 3d2o s ILE 97 CO 0.00 0.52 -0.21 -0.94 0.00 0.00 0.00 174.94 174.31 3d2o s SER 98 N 0.79 2.89 -0.17 3.58 1.04 -0.07 -0.70 113.70 121.07 3d2o s SER 98 Ca -0.09 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 55.82 3d2o s SER 98 Cb -0.16 -1.33 0.02 0.00 0.10 0.00 0.00 66.02 64.66 3d2o s SER 98 CO -0.00 0.11 -0.15 0.54 0.98 0.00 0.00 173.24 174.71 3d2o s VAL 99 N 0.59 1.75 -0.11 5.02 0.11 0.07 -1.47 120.40 126.36 3d2o s VAL 99 Ca -0.14 -0.80 0.01 0.00 -2.93 0.00 0.00 61.98 58.13 3d2o s VAL 99 Cb -0.17 -1.64 -0.02 0.00 -1.53 0.00 0.00 36.38 33.02 3d2o s VAL 99 CO 0.04 0.44 -0.15 -0.44 -3.33 0.00 0.00 175.10 171.66 3d2o s SER 100 N 1.40 3.92 0.04 3.54 0.01 -0.50 -0.76 113.70 121.36 3d2o s SER 100 Ca 0.04 -0.32 -0.27 0.00 1.31 0.00 0.00 55.95 56.71 3d2o s SER 100 Cb -0.13 -1.39 0.08 0.00 0.21 0.00 0.00 66.02 64.79 3d2o s SER 100 CO -0.11 0.21 0.72 0.72 0.41 0.00 0.00 173.24 175.19 3d2o s PHE 101 N 0.07 -0.52 0.45 2.43 -0.12 -0.07 -0.22 117.98 120.00 3d2o s PHE 101 Ca -0.06 0.56 -0.23 0.00 -0.05 0.00 0.00 56.93 57.15 3d2o s PHE 101 Cb -0.15 0.50 -0.08 0.00 -0.63 0.00 0.00 43.02 42.67 3d2o s PHE 101 CO 0.05 -0.68 1.10 -1.25 -0.05 0.00 0.00 175.22 174.39 3d2o s PRO 102 N -2.67 3.88 -0.07 1.99 0.04 -1.26 -1.46 135.00 135.46 3d2o s PRO 102 Ca -0.02 1.60 0.02 0.00 0.04 0.00 0.00 61.00 62.64 3d2o s PRO 102 Cb -0.01 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.17 3d2o s PRO 102 CO -0.04 -0.40 -0.10 0.12 0.04 0.00 0.00 177.00 176.61 3d2o s PHE 103 N -1.67 1.32 0.05 0.56 5.36 0.34 -4.78 117.98 119.16 3d2o s PHE 103 Ca 0.63 -0.51 0.02 0.00 -0.96 0.00 0.00 56.93 56.11 3d2o s PHE 103 Cb -0.24 -1.02 -0.04 0.00 -0.34 0.00 0.00 43.02 41.38 3d2o s PHE 103 CO 0.29 -0.30 0.06 -0.06 -1.46 0.00 0.00 175.22 173.75 3d2o s PHE 104 N 0.90 3.18 -0.01 10.12 0.08 -1.26 0.12 117.98 131.11 3d2o s PHE 104 Ca -0.10 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.04 3d2o s PHE 104 Cb -0.15 -1.64 0.01 0.00 -0.57 0.00 0.00 43.02 40.66 3d2o s PHE 104 CO 0.01 0.52 0.00 0.50 -0.10 0.00 0.00 175.22 176.15 3d2o s ARG 105 N -2.13 0.02 -0.26 0.44 3.52 -0.58 -4.98 118.95 114.97 3d2o s ARG 105 Ca 0.26 0.04 -0.29 0.00 -0.13 0.00 0.00 55.73 55.61 3d2o s ARG 105 Cb -0.12 -0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.17 3d2o s ARG 105 CO 0.18 -0.04 1.39 0.21 -0.81 0.00 0.00 175.30 176.24 3d2o s LYS 106 N 0.27 3.91 0.33 5.12 2.47 -1.26 -1.15 119.74 129.42 3d2o s LYS 106 Ca -0.02 1.41 0.07 0.00 -1.56 0.00 0.00 55.97 55.87 3d2o s LYS 106 Cb -0.03 -3.92 -0.03 0.00 -1.46 0.00 0.00 37.83 32.39 3d2o s LYS 106 CO -0.01 -1.13 0.28 0.15 0.16 0.00 0.00 175.35 174.80 3d2o s LYS 107 N 4.25 2.74 -0.06 4.03 1.02 0.22 -4.96 119.74 126.99 3d2o s LYS 107 Ca 0.61 -1.27 0.03 0.00 0.02 0.00 0.00 55.97 55.35 3d2o s LYS 107 Cb -0.20 -2.48 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 3d2o s LYS 107 CO 0.24 0.12 -0.14 0.99 -0.92 0.00 0.00 175.35 175.65 3d2o s THR 108 N -2.29 1.22 0.37 2.17 2.01 -1.26 -1.42 115.64 116.43 3d2o s THR 108 Ca 0.40 -0.55 -0.28 0.00 0.31 0.00 0.00 61.69 61.57 3d2o s THR 108 Cb -0.06 -1.09 -0.10 0.00 0.01 0.00 0.00 72.50 71.27 3d2o s THR 108 CO 0.26 0.37 1.38 0.00 -0.69 0.00 0.00 174.62 175.94 3d2o s ALA 109 N 0.44 3.45 0.43 7.40 0.00 0.71 -4.93 121.76 129.27 3d2o s ALA 109 Ca -0.11 1.38 0.18 0.00 0.00 0.00 0.00 51.96 53.42 3d2o s ALA 109 Cb -0.14 -3.54 1.13 0.00 0.00 0.00 0.00 23.12 20.57 3d2o s ALA 109 CO 0.03 -0.88 2.01 -1.00 0.00 0.00 0.00 175.76 175.92 3d2o h PRO 110 N 3.00 0.00 0.00 0.00 0.13 -1.91 -2.64 132.00 130.58 3d2o h PRO 110 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 3d2o h PRO 110 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3d2o h PRO 110 CO 0.64 0.18 -1.07 0.28 -0.23 0.00 0.00 178.00 177.80 3d2o n VAL 111 N -4.08 1.34 0.01 1.56 0.31 -1.26 -4.69 118.33 111.51 3d2o n VAL 111 Ca -0.02 0.09 0.03 0.00 -0.01 0.00 0.00 64.34 64.43 3d2o n VAL 111 Cb 0.25 -2.04 0.39 0.00 -0.91 0.00 0.00 33.84 31.53 3d2o n VAL 111 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3d2o h SER 112 N -0.71 0.46 0.00 4.52 4.64 -1.94 -3.47 113.55 117.04 3d2o h SER 112 Ca -0.13 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3d2o h SER 112 Cb 0.90 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3d2o h SER 112 CO -0.08 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 3d2o n GLY 113 N -1.29 0.50 3.76 -0.77 0.00 -0.99 -5.01 105.19 101.39 3d2o n GLY 113 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3d2o n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d2o s ILE 114 N -2.24 2.43 0.01 -0.61 1.01 -1.26 -4.51 121.20 116.03 3d2o s ILE 114 Ca 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 60.65 61.03 3d2o s ILE 114 Cb 0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3d2o s ILE 114 CO 0.00 0.08 0.16 -0.13 0.00 0.00 0.00 174.94 175.05 3d2o s ARG 115 N -1.17 3.34 0.17 2.79 0.52 -1.26 -0.21 118.95 123.13 3d2o s ARG 115 Ca 0.56 -0.39 -0.17 0.00 -0.52 0.00 0.00 55.73 55.21 3d2o s ARG 115 Cb -0.43 -3.02 0.03 0.00 0.52 0.00 0.00 34.95 32.04 3d2o s ARG 115 CO 0.51 0.66 0.49 -1.54 0.02 0.00 0.00 175.30 175.43 3d2o s SER 116 N -2.00 -0.27 0.36 0.23 1.04 -0.51 -4.93 113.70 107.63 3d2o s SER 116 Ca 0.28 -0.41 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 3d2o s SER 116 Cb -0.13 0.55 -0.10 0.00 0.10 0.00 0.00 66.02 66.44 3d2o s SER 116 CO 0.19 -0.98 0.82 -0.76 0.98 0.00 0.00 173.24 173.49 3d2o s LEU 117 N -2.85 4.02 0.12 2.42 1.43 -1.26 0.73 118.68 123.29 3d2o s LEU 117 Ca 0.07 1.45 0.11 0.00 -1.03 0.00 0.00 54.13 54.72 3d2o s LEU 117 Cb -0.00 -4.25 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 3d2o s LEU 117 CO -0.06 -0.26 -0.26 -0.22 0.23 0.00 0.00 176.35 175.78 3d2o s LEU 118 N -3.03 2.31 -0.12 1.79 2.96 -0.30 -4.16 118.68 118.13 3d2o s LEU 118 Ca 0.57 -0.73 -0.03 0.00 -0.22 0.00 0.00 54.13 53.71 3d2o s LEU 118 Cb -0.10 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 3d2o s LEU 118 CO 0.16 0.17 0.01 1.51 -1.32 0.00 0.00 176.35 176.88 3d2o s ASP 119 N -2.00 5.30 0.14 3.68 -4.77 -1.26 -1.53 116.67 116.24 3d2o s ASP 119 Ca 0.13 0.11 0.08 0.00 -3.30 0.00 0.00 52.55 49.57 3d2o s ASP 119 Cb -0.10 -1.65 -0.04 0.00 -1.09 0.00 0.00 42.92 40.04 3d2o s ASP 119 CO 0.06 0.31 -0.18 -0.31 0.70 0.00 0.00 175.17 175.74 3d2o s TYR 120 N -0.45 1.74 -0.19 2.11 2.02 0.33 -4.82 117.35 118.09 3d2o s TYR 120 Ca 0.08 -0.46 -0.06 0.00 -0.37 0.00 0.00 57.07 56.26 3d2o s TYR 120 Cb -0.12 -0.90 -0.03 0.00 -0.40 0.00 0.00 41.96 40.50 3d2o s TYR 120 CO 0.02 0.26 0.03 -0.51 -1.57 0.00 0.00 175.55 173.78 3d2o s ASP 121 N -2.38 5.26 0.01 2.29 1.01 -1.14 0.13 116.67 121.86 3d2o s ASP 121 Ca 0.11 -0.04 0.05 0.00 0.71 0.00 0.00 52.55 53.38 3d2o s ASP 121 Cb -0.07 -1.90 -0.02 0.00 1.01 0.00 0.00 42.92 41.95 3d2o s ASP 121 CO 0.05 0.14 -0.15 -0.69 0.21 0.00 0.00 175.17 174.72 3d2o s VAL 122 N 0.59 1.22 -0.02 -1.27 1.01 -0.53 -0.63 120.40 120.76 3d2o s VAL 122 Ca 0.01 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.23 3d2o s VAL 122 Cb -0.13 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 3d2o s VAL 122 CO 0.02 0.22 -0.17 -0.44 0.00 0.00 0.00 175.10 174.72 3d2o s SER 123 N -0.69 2.09 -0.07 3.32 0.01 0.21 -0.89 113.70 117.68 3d2o s SER 123 Ca 0.05 -0.33 0.05 0.00 1.31 0.00 0.00 55.95 57.03 3d2o s SER 123 Cb -0.07 -0.37 -0.00 0.00 0.21 0.00 0.00 66.02 65.79 3d2o s SER 123 CO 0.00 0.19 -0.23 -0.76 0.41 0.00 0.00 173.24 172.86 3d2o s LEU 124 N -0.24 2.02 -0.06 2.44 1.43 0.06 -0.45 118.68 123.89 3d2o s LEU 124 Ca 0.03 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 3d2o s LEU 124 Cb -0.09 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.86 3d2o s LEU 124 CO 0.00 0.19 -0.18 -0.89 0.23 0.00 0.00 176.35 175.71 3d2o s THR 125 N 0.08 1.52 0.03 5.49 2.01 -0.74 -0.75 115.64 123.27 3d2o s THR 125 Ca -0.09 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.22 3d2o s THR 125 Cb -0.15 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 3d2o s THR 125 CO 0.05 0.44 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.47 3d2o s GLY 126 N 0.24 1.68 -0.06 4.40 0.00 0.13 -1.60 107.32 112.10 3d2o s GLY 126 Ca -0.09 -1.10 -0.02 0.00 0.00 0.00 0.00 44.72 43.50 3d2o s GLY 126 CO 0.04 -0.99 0.13 1.85 0.00 0.00 0.00 173.10 174.13 3d2o s GLU 127 N -1.48 0.07 -0.11 2.90 2.12 0.02 -1.13 118.70 121.08 3d2o s GLU 127 Ca 0.16 0.36 -0.02 0.00 0.36 0.00 0.00 54.97 55.83 3d2o s GLU 127 Cb -0.11 -0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.05 3d2o s GLU 127 CO 0.07 -0.18 -0.03 1.41 -0.54 0.00 0.00 175.26 176.00 3d2o s MET 128 N 1.23 3.25 -0.31 4.30 -2.45 0.66 -1.39 119.30 124.60 3d2o s MET 128 Ca -0.08 -0.48 -0.03 0.00 -1.25 0.00 0.00 55.69 53.85 3d2o s MET 128 Cb -0.12 -2.82 0.11 0.00 1.25 0.00 0.00 34.83 33.26 3d2o s MET 128 CO -0.06 0.50 0.16 0.15 1.05 0.00 0.00 175.02 176.82 3d2o s LYS 129 N -0.32 0.29 -1.13 4.11 1.02 -0.14 -1.35 119.74 122.22 3d2o s LYS 129 Ca 0.06 -0.75 -0.00 0.00 0.02 0.00 0.00 55.97 55.29 3d2o s LYS 129 Cb -0.12 -1.19 0.00 0.00 -0.52 0.00 0.00 37.83 36.00 3d2o s LYS 129 CO 0.02 -1.07 0.07 -0.25 -0.92 0.00 0.00 175.35 173.19 3d2o n ASP 130 N 4.91 -4.24 0.00 2.83 10.43 -0.41 -1.90 116.55 128.17 3d2o n ASP 130 Ca -0.01 -0.04 0.00 0.00 2.57 0.00 0.00 54.79 57.31 3d2o n ASP 130 Cb 0.41 -3.37 0.00 0.00 1.84 0.00 0.00 41.12 40.00 3d2o n ASP 130 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3d2o n GLY 131 N -1.05 1.65 3.67 0.44 0.00 -1.26 -5.03 105.19 103.61 3d2o n GLY 131 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3d2o n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2o s ALA 132 N -2.36 3.51 -0.13 4.61 0.00 -0.80 -5.07 121.76 121.52 3d2o s ALA 132 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.83 3d2o s ALA 132 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 3d2o s ALA 132 CO 0.00 -0.57 0.13 -0.47 0.00 0.00 0.00 175.76 174.85 3d2o s TYR 133 N 1.95 3.54 0.08 0.00 5.04 -1.26 -0.97 117.35 125.73 3d2o s TYR 133 Ca 0.35 0.47 -0.02 0.00 -2.44 0.00 0.00 57.07 55.43 3d2o s TYR 133 Cb -0.16 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.15 3d2o s TYR 133 CO 0.12 0.66 0.03 0.20 -1.34 0.00 0.00 175.55 175.22 3d2o s GLY 134 N -0.83 0.57 -0.05 8.97 0.00 -0.49 -5.01 107.32 110.49 3d2o s GLY 134 Ca 0.14 -1.21 -0.19 0.00 0.00 0.00 0.00 44.72 43.46 3d2o s GLY 134 CO 0.03 -1.26 0.43 -2.38 0.00 0.00 0.00 173.10 169.92 3d2o s HIS 135 N -3.95 -0.36 0.29 1.90 -3.43 -1.26 -0.80 115.29 107.68 3d2o s HIS 135 Ca 0.12 0.64 0.02 0.00 -0.80 0.00 0.00 55.06 55.04 3d2o s HIS 135 Cb 0.07 0.19 -0.03 0.00 -1.43 0.00 0.00 32.58 31.39 3d2o s HIS 135 CO -0.06 -0.43 0.29 -1.54 -2.00 0.00 0.00 174.74 170.99 3d2o s SER 136 N -1.06 1.04 0.06 7.38 1.04 -0.63 -3.59 113.70 117.94 3d2o s SER 136 Ca -0.11 -1.57 -0.22 0.00 0.48 0.00 0.00 55.95 54.54 3d2o s SER 136 Cb -0.04 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.67 3d2o s SER 136 CO 0.05 -1.05 0.51 0.00 0.98 0.00 0.00 173.24 173.73 3d2o s MET 137 N -3.59 1.05 -0.00 4.02 0.23 -0.49 -1.80 119.30 118.71 3d2o s MET 137 Ca 0.37 -0.30 0.00 0.00 -1.03 0.00 0.00 55.69 54.74 3d2o s MET 137 Cb 0.03 0.48 0.00 0.00 -1.53 0.00 0.00 34.83 33.81 3d2o s MET 137 CO 0.21 -0.39 -0.01 0.21 -2.03 0.00 0.00 175.02 173.01 3d2o s LYS 138 N -2.66 0.11 -0.04 3.16 2.20 0.41 -1.29 119.74 121.64 3d2o s LYS 138 Ca -0.04 -0.02 -0.01 0.00 -0.36 0.00 0.00 55.97 55.54 3d2o s LYS 138 Cb -0.00 -0.15 0.03 0.00 -1.51 0.00 0.00 37.83 36.20 3d2o s LYS 138 CO -0.03 0.00 0.03 0.08 -0.36 0.00 0.00 175.35 175.06 3d2o s VAL 139 N 0.14 0.05 -0.25 4.02 1.01 0.08 -0.62 120.40 124.83 3d2o s VAL 139 Ca -0.01 0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 3d2o s VAL 139 Cb -0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 3d2o s VAL 139 CO -0.00 0.16 0.21 -0.32 0.00 0.00 0.00 175.10 175.14 3d2o s MET 140 N 1.55 4.04 -0.25 2.72 1.75 0.20 -1.26 119.30 128.05 3d2o s MET 140 Ca -0.03 -0.22 -0.02 0.00 -1.25 0.00 0.00 55.69 54.18 3d2o s MET 140 Cb -0.13 -3.59 0.03 0.00 2.84 0.00 0.00 34.83 33.98 3d2o s MET 140 CO -0.03 -0.05 -0.06 0.42 -0.65 0.00 0.00 175.02 174.65 3d2o s ILE 141 N 1.39 2.90 -0.00 10.11 1.09 0.11 -2.87 121.20 133.93 3d2o s ILE 141 Ca 0.09 -1.03 -0.28 0.00 -1.10 0.00 0.00 60.65 58.33 3d2o s ILE 141 Cb -0.15 -2.48 -0.04 0.00 -1.06 0.00 0.00 42.46 38.74 3d2o s ILE 141 CO 0.07 0.19 0.89 -2.16 -0.10 0.00 0.00 174.94 173.83 3d2o s PRO 142 N 1.33 4.53 0.32 2.79 0.04 -1.26 -1.14 135.00 141.61 3d2o s PRO 142 Ca 0.00 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.32 3d2o s PRO 142 Cb -0.17 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 30.88 3d2o s PRO 142 CO -0.04 0.03 0.08 0.14 0.04 0.00 0.00 177.00 177.25 3d2o s VAL 143 N 0.78 0.91 -0.11 -0.36 -7.23 0.17 -4.42 120.40 110.15 3d2o s VAL 143 Ca 0.47 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.47 3d2o s VAL 143 Cb -0.20 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 3d2o s VAL 143 CO 0.25 0.00 0.41 -0.89 -0.31 0.00 0.00 175.10 174.56 3d2o s THR 144 N -3.42 5.19 -0.05 5.32 2.01 0.06 -0.93 115.64 123.83 3d2o s THR 144 Ca 0.35 0.81 0.05 0.00 0.31 0.00 0.00 61.69 63.21 3d2o s THR 144 Cb 0.08 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 3d2o s THR 144 CO 0.15 0.40 -0.18 -0.94 -0.69 0.00 0.00 174.62 173.35 3d2o s SER 145 N 0.24 3.69 -0.06 3.53 1.04 -0.52 -3.14 113.70 118.47 3d2o s SER 145 Ca 0.23 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.38 3d2o s SER 145 Cb -0.15 -0.75 0.01 0.00 0.10 0.00 0.00 66.02 65.24 3d2o s SER 145 CO 0.09 0.32 -0.11 -0.22 0.98 0.00 0.00 173.24 174.30 3d2o s LEU 146 N -0.60 1.64 -0.19 2.42 0.20 -1.26 -1.70 118.68 119.20 3d2o s LEU 146 Ca 0.09 -0.27 -0.29 0.00 0.69 0.00 0.00 54.13 54.34 3d2o s LEU 146 Cb -0.11 -0.77 0.00 0.00 -0.43 0.00 0.00 46.19 44.88 3d2o s LEU 146 CO 0.01 0.03 1.04 0.00 -0.29 0.00 0.00 176.35 177.14 3d2o h PRO 148 N 7.39 0.82 -0.37 0.00 0.13 -1.84 -2.79 132.00 135.34 3d2o h PRO 148 Ca -0.23 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 3d2o h PRO 148 Cb 1.09 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 3d2o h PRO 148 CO 0.94 0.95 0.24 0.00 -0.23 0.00 0.00 178.00 179.90 3d2o h SER 150 N 0.50 -1.01 -0.55 0.00 0.87 -1.90 -1.43 113.55 110.03 3d2o h SER 150 Ca 0.14 0.12 0.11 0.00 -1.23 0.00 0.00 61.79 60.92 3d2o h SER 150 Cb -0.05 0.39 -0.10 0.00 -0.44 0.00 0.00 62.40 62.20 3d2o h SER 150 CO -0.03 -0.30 -0.09 0.50 -0.53 0.00 0.00 176.83 176.38 3d2o h LYS 151 N -0.38 0.04 -0.94 2.24 3.64 -1.39 -1.48 116.57 118.29 3d2o h LYS 151 Ca 0.01 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3d2o h LYS 151 Cb 0.42 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 3d2o h LYS 151 CO -0.24 0.02 0.56 1.49 -2.27 0.00 0.00 179.45 179.02 3d2o h GLU 152 N 0.04 1.29 0.00 1.90 4.81 -0.94 -2.92 114.58 118.76 3d2o h GLU 152 Ca 0.27 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3d2o h GLU 152 Cb 0.42 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3d2o h GLU 152 CO -0.53 0.91 -1.27 0.44 -0.73 0.00 0.00 179.01 177.83 3d2o n ILE 153 N -4.35 0.40 -3.56 2.32 -5.35 -0.56 -4.94 119.36 103.32 3d2o n ILE 153 Ca 0.11 -0.50 -0.38 0.00 -0.27 0.00 0.00 62.75 61.71 3d2o n ILE 153 Cb 0.07 -0.18 -0.06 0.00 -1.74 0.00 0.00 39.64 37.72 3d2o n ILE 153 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3d2o s SER 154 N -4.95 6.74 0.52 7.28 0.01 -0.57 -4.99 113.70 117.73 3d2o s SER 154 Ca -0.02 0.88 0.29 0.00 1.31 0.00 0.00 55.95 58.41 3d2o s SER 154 Cb 0.11 -2.22 1.36 0.00 0.21 0.00 0.00 66.02 65.49 3d2o s SER 154 CO 0.82 0.33 2.01 0.06 0.41 0.00 0.00 173.24 176.87 3d2o h GLN 155 N 4.69 0.00 -2.65 12.44 3.07 -1.90 -3.44 115.11 127.32 3d2o h GLN 155 Ca -0.52 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.15 3d2o h GLN 155 Cb 1.22 0.00 -0.18 0.00 0.08 0.00 0.00 27.48 28.60 3d2o h GLN 155 CO 0.61 0.12 0.00 1.52 0.09 0.00 0.00 178.83 181.17 3d2o s TYR 156 N -3.91 -0.42 0.09 0.06 -0.85 -1.26 -5.17 117.35 105.90 3d2o s TYR 156 Ca -0.01 0.57 0.00 0.00 -0.52 0.00 0.00 57.07 57.11 3d2o s TYR 156 Cb 0.11 0.30 0.00 0.00 0.38 0.00 0.00 41.96 42.75 3d2o s TYR 156 CO 0.58 -0.58 0.00 0.41 -1.52 0.00 0.00 175.55 174.44 3d2o n GLY 157 N 0.71 -1.76 3.63 5.49 0.00 -1.26 -5.00 105.19 107.00 3d2o n GLY 157 Ca -0.19 -1.43 -0.02 0.00 0.00 0.00 0.00 46.02 44.37 3d2o n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2o s ALA 158 N -1.79 -2.27 0.38 4.61 0.00 -1.26 -4.04 121.76 117.39 3d2o s ALA 158 Ca 0.00 2.22 -0.26 0.00 0.00 0.00 0.00 51.96 53.92 3d2o s ALA 158 Cb 0.00 -1.71 -0.09 0.00 0.00 0.00 0.00 23.12 21.32 3d2o s ALA 158 CO 0.00 -0.40 1.17 -3.38 0.00 0.00 0.00 175.76 173.15 3d2o s HIS 159 N 1.47 3.14 0.24 0.00 -3.43 -1.26 -4.83 115.29 110.61 3d2o s HIS 159 Ca -0.09 1.56 -0.02 0.00 -0.80 0.00 0.00 55.06 55.72 3d2o s HIS 159 Cb -0.04 -3.40 -0.03 0.00 -1.43 0.00 0.00 32.58 27.69 3d2o s HIS 159 CO -0.16 -1.25 0.24 0.54 -2.00 0.00 0.00 174.74 172.12 3d2o s ASN 160 N -1.06 0.44 -0.11 7.38 4.22 -1.26 -1.46 114.94 123.08 3d2o s ASN 160 Ca 0.55 -1.39 -0.32 0.00 -2.14 0.00 0.00 52.86 49.56 3d2o s ASN 160 Cb -0.31 0.47 0.12 0.00 1.28 0.00 0.00 41.25 42.81 3d2o s ASN 160 CO 0.40 -0.96 1.06 0.00 -2.04 0.00 0.00 177.10 175.56 3d2o s GLN 161 N -3.92 0.53 0.50 3.55 0.00 -0.69 -4.33 119.66 115.31 3d2o s GLN 161 Ca 0.36 -0.17 -0.23 0.00 -0.00 0.00 0.00 55.36 55.32 3d2o s GLN 161 Cb 0.04 0.25 -0.06 0.00 0.00 0.00 0.00 33.01 33.24 3d2o s GLN 161 CO 0.15 -0.23 1.29 0.50 0.00 0.00 0.00 175.29 177.00 3d2o s ARG 162 N -2.60 3.45 -0.00 9.60 3.52 -1.26 -1.44 118.95 130.21 3d2o s ARG 162 Ca 0.07 2.07 -0.02 0.00 -0.13 0.00 0.00 55.73 57.71 3d2o s ARG 162 Cb -0.01 -2.37 -0.00 0.00 -1.56 0.00 0.00 34.95 31.01 3d2o s ARG 162 CO -0.06 -0.89 0.04 -1.54 -0.81 0.00 0.00 175.30 172.04 3d2o s SER 163 N -1.07 0.05 -0.29 -2.12 1.04 -0.11 -1.74 113.70 109.46 3d2o s SER 163 Ca 0.67 -0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.87 3d2o s SER 163 Cb -0.36 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 3d2o s SER 163 CO 0.43 -0.16 0.18 -1.00 0.98 0.00 0.00 173.24 173.68 3d2o s HIS 164 N -0.64 3.20 -0.27 5.02 3.76 -0.19 -0.65 115.29 125.52 3d2o s HIS 164 Ca -0.07 -0.11 -0.09 0.00 -0.15 0.00 0.00 55.06 54.64 3d2o s HIS 164 Cb -0.04 -2.38 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 3d2o s HIS 164 CO -0.00 -0.27 0.13 0.08 -0.85 0.00 0.00 174.74 173.83 3d2o s VAL 165 N 1.71 4.78 -0.17 -0.90 1.01 -0.29 -0.81 120.40 125.73 3d2o s VAL 165 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 3d2o s VAL 165 Cb -0.16 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 3d2o s VAL 165 CO 0.09 0.28 -0.10 -0.89 0.00 0.00 0.00 175.10 174.48 3d2o s THR 166 N 1.68 3.07 -0.19 3.92 2.01 0.11 0.07 115.64 126.32 3d2o s THR 166 Ca 0.07 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 3d2o s THR 166 Cb -0.16 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.02 3d2o s THR 166 CO 0.07 0.48 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.67 3d2o s VAL 167 N 0.92 2.69 -0.13 3.82 1.01 -0.39 -0.88 120.40 127.45 3d2o s VAL 167 Ca -0.02 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3d2o s VAL 167 Cb -0.15 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3d2o s VAL 167 CO -0.00 0.49 -0.06 -0.44 0.00 0.00 0.00 175.10 175.09 3d2o s SER 168 N 1.23 4.63 0.04 3.32 0.01 -0.02 -0.74 113.70 122.17 3d2o s SER 168 Ca 0.03 -0.13 -0.07 0.00 1.31 0.00 0.00 55.95 57.08 3d2o s SER 168 Cb -0.14 -1.59 -0.00 0.00 0.21 0.00 0.00 66.02 64.49 3d2o s SER 168 CO -0.06 0.22 0.14 -1.48 0.41 0.00 0.00 173.24 172.47 3d2o s LEU 169 N 0.04 1.60 0.02 2.44 0.05 -0.41 -0.25 118.68 122.17 3d2o s LEU 169 Ca -0.01 -0.46 0.07 0.00 0.05 0.00 0.00 54.13 53.78 3d2o s LEU 169 Cb -0.14 0.77 -0.02 0.00 -2.05 0.00 0.00 46.19 44.75 3d2o s LEU 169 CO 0.03 -0.53 -0.22 0.42 -0.55 0.00 0.00 176.35 175.49 3d2o s THR 170 N -2.62 1.77 0.05 5.48 -4.23 -0.46 -1.40 115.64 114.23 3d2o s THR 170 Ca -0.05 -1.13 -0.03 0.00 -1.18 0.00 0.00 61.69 59.31 3d2o s THR 170 Cb -0.01 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.29 3d2o s THR 170 CO -0.04 0.34 0.02 -0.94 -0.54 0.00 0.00 174.62 173.46 3d2o s SER 171 N -0.93 0.39 -0.02 3.99 1.04 -1.24 -1.29 113.70 115.65 3d2o s SER 171 Ca 0.09 -0.89 0.03 0.00 0.48 0.00 0.00 55.95 55.66 3d2o s SER 171 Cb -0.09 0.22 -0.25 0.00 0.10 0.00 0.00 66.02 66.00 3d2o s SER 171 CO 0.01 -0.60 0.77 -2.24 0.98 0.00 0.00 173.24 172.15 3d2o h ASP 172 N 3.17 0.21 -2.12 7.02 3.04 -1.83 -3.41 116.42 122.51 3d2o h ASP 172 Ca -0.34 -0.35 -0.56 0.00 -3.24 0.00 0.00 57.03 52.55 3d2o h ASP 172 Cb 1.16 -0.07 -0.09 0.00 -1.04 0.00 0.00 39.33 39.29 3d2o h ASP 172 CO 0.62 1.30 -0.62 0.00 -2.04 0.00 0.00 179.24 178.50 3d2o s ALA 173 N -2.61 3.23 0.16 4.15 0.00 -1.26 -5.05 121.76 120.38 3d2o s ALA 173 Ca -0.08 -1.71 -0.34 0.00 0.00 0.00 0.00 51.96 49.83 3d2o s ALA 173 Cb 0.08 -0.73 -0.14 0.00 0.00 0.00 0.00 23.12 22.32 3d2o s ALA 173 CO 0.83 0.20 1.59 -1.91 0.00 0.00 0.00 175.76 176.47 3d2o n GLU 174 N -0.95 2.18 -4.28 0.00 2.13 -1.26 -4.96 120.64 113.50 3d2o n GLU 174 Ca -0.06 0.79 -0.33 0.00 0.66 0.00 0.00 57.16 58.22 3d2o n GLU 174 Cb 0.60 -2.56 -0.15 0.00 0.27 0.00 0.00 31.44 29.59 3d2o n GLU 174 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3d2o s VAL 175 N 0.94 2.57 0.48 6.31 1.01 -1.26 -5.09 120.40 125.36 3d2o s VAL 175 Ca 0.79 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.76 3d2o s VAL 175 Cb -0.67 -2.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 3d2o s VAL 175 CO 0.38 0.51 1.19 -0.83 0.00 0.00 0.00 175.10 176.35 3d2o s GLY 176 N 1.10 2.79 0.15 4.51 0.00 -1.26 -4.97 107.32 109.65 3d2o s GLY 176 Ca 0.00 0.99 -0.21 0.00 0.00 0.00 0.00 44.72 45.50 3d2o s GLY 176 CO -0.05 1.45 1.64 -2.22 0.00 0.00 0.00 173.10 173.92 3d2o h ILE 177 N 1.75 0.45 -0.02 0.90 2.04 -2.00 -2.21 117.51 118.41 3d2o h ILE 177 Ca -0.50 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.37 3d2o h ILE 177 Cb 1.26 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3d2o h ILE 177 CO 0.59 0.00 0.02 1.05 0.00 0.00 0.00 178.15 179.81 3d2o h GLU 178 N -0.18 0.00 -0.50 2.37 9.09 -1.99 -1.39 114.58 121.98 3d2o h GLU 178 Ca 0.15 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.45 3d2o h GLU 178 Cb 0.41 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.50 3d2o h GLU 178 CO -0.39 0.00 -0.11 0.93 0.05 0.00 0.00 179.01 179.49 3d2o h GLU 179 N 0.00 0.96 -0.32 1.06 5.08 -1.78 0.12 114.58 119.70 3d2o h GLU 179 Ca 0.01 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 3d2o h GLU 179 Cb 0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3d2o h GLU 179 CO -0.00 1.03 0.08 0.28 -1.00 0.00 0.00 179.01 179.40 3d2o h VAL 180 N 0.82 1.22 -0.37 3.13 2.07 -1.24 -0.54 116.25 121.34 3d2o h VAL 180 Ca 0.13 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 66.97 3d2o h VAL 180 Cb 0.67 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3d2o h VAL 180 CO 0.05 0.25 0.07 0.40 0.02 0.00 0.00 177.57 178.35 3d2o h ILE 181 N 0.35 0.81 -0.57 4.57 2.04 -1.05 -2.48 117.51 121.19 3d2o h ILE 181 Ca 0.10 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 3d2o h ILE 181 Cb 0.30 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3d2o h ILE 181 CO 0.00 0.03 0.14 0.44 0.00 0.00 0.00 178.15 178.76 3d2o h ASP 182 N 0.19 0.86 -0.89 1.72 3.32 -0.61 -0.02 116.42 121.00 3d2o h ASP 182 Ca 0.18 -0.23 0.18 0.00 0.02 0.00 0.00 57.03 57.18 3d2o h ASP 182 Cb 0.21 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.46 3d2o h ASP 182 CO -0.24 0.87 0.58 1.88 -1.72 0.00 0.00 179.24 180.62 3d2o h TYR 183 N 0.81 0.64 0.00 4.55 0.05 -0.85 -1.64 116.97 120.53 3d2o h TYR 183 Ca 0.18 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.96 3d2o h TYR 183 Cb 0.35 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 37.89 3d2o h TYR 183 CO 0.02 0.19 -0.12 0.28 -1.05 0.00 0.00 178.16 177.48 3d2o h VAL 184 N 0.50 1.35 -0.15 -2.88 2.07 -0.98 -3.36 116.25 112.79 3d2o h VAL 184 Ca 0.46 -2.06 -0.03 0.00 0.82 0.00 0.00 66.70 65.90 3d2o h VAL 184 Cb 1.01 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 3d2o h VAL 184 CO -0.19 0.46 -0.03 -0.33 0.02 0.00 0.00 177.57 177.49 3d2o h GLU 185 N -1.00 0.22 -0.84 1.57 5.08 -0.90 0.49 114.58 119.21 3d2o h GLU 185 Ca -0.03 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.40 3d2o h GLU 185 Cb 0.83 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 3d2o h GLU 185 CO -0.02 0.27 0.54 1.15 -1.00 0.00 0.00 179.01 179.96 3d2o h THR 186 N 0.22 0.93 0.00 1.13 2.02 -1.47 -2.65 112.91 113.08 3d2o h THR 186 Ca 0.05 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3d2o h THR 186 Cb 0.20 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3d2o h THR 186 CO 0.01 0.14 -0.78 0.00 0.37 0.00 0.00 175.52 175.26 3d2o n GLN 187 N -4.52 0.23 -1.93 6.66 1.13 0.12 -4.96 117.38 114.11 3d2o n GLN 187 Ca 0.15 0.03 -0.38 0.00 -1.94 0.00 0.00 57.00 54.85 3d2o n GLN 187 Cb 0.35 -1.61 0.02 0.00 0.11 0.00 0.00 30.24 29.11 3d2o n GLN 187 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3d2o s ALA 188 N -3.14 2.95 0.25 -1.58 0.00 -0.95 -4.89 121.76 114.39 3d2o s ALA 188 Ca 0.06 1.23 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 3d2o s ALA 188 Cb 0.15 -3.51 0.36 0.00 0.00 0.00 0.00 23.12 20.11 3d2o s ALA 188 CO 0.75 -1.11 1.59 0.77 0.00 0.00 0.00 175.76 177.76 3d2o h SER 189 N 1.82 -0.80 -4.69 0.00 0.02 -1.74 -3.43 113.55 104.73 3d2o h SER 189 Ca -0.50 0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 3d2o h SER 189 Cb 1.28 0.53 -0.20 0.00 0.14 0.00 0.00 62.40 64.15 3d2o h SER 189 CO 0.59 -0.28 0.23 0.00 -1.14 0.00 0.00 176.83 176.23 3d2o s GLN 191 N -0.89 2.34 0.13 0.00 -2.07 -1.26 -0.76 119.66 117.15 3d2o s GLN 191 Ca -0.08 -0.31 -0.01 0.00 -1.82 0.00 0.00 55.36 53.14 3d2o s GLN 191 Cb -0.01 -2.23 -0.04 0.00 -1.09 0.00 0.00 33.01 29.63 3d2o s GLN 191 CO 0.07 -1.09 0.31 -0.51 -1.32 0.00 0.00 175.29 172.76 3d2o s LEU 192 N -5.14 4.30 -0.00 2.60 1.43 -1.26 -4.75 118.68 115.85 3d2o s LEU 192 Ca 0.59 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 3d2o s LEU 192 Cb -0.11 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.01 3d2o s LEU 192 CO 0.44 0.06 -0.02 -0.31 0.23 0.00 0.00 176.35 176.75 3d2o s TYR 193 N -1.68 0.23 0.08 0.29 2.02 -1.26 -4.99 117.35 112.04 3d2o s TYR 193 Ca 0.38 -0.04 -0.29 0.00 -0.37 0.00 0.00 57.07 56.75 3d2o s TYR 193 Cb -0.12 -0.17 -0.17 0.00 -0.40 0.00 0.00 41.96 41.11 3d2o s TYR 193 CO 0.27 -0.01 1.67 0.78 -1.57 0.00 0.00 175.55 176.69 3d2o h GLY 194 N 6.19 -0.55 -6.52 0.71 0.00 -1.89 -3.43 103.07 97.57 3d2o h GLY 194 Ca -0.27 0.21 -0.66 0.00 0.00 0.00 0.00 47.33 46.61 3d2o h GLY 194 CO 0.50 -0.20 -0.77 -2.27 0.00 0.00 0.00 176.54 173.80 3d2o s LEU 195 N -10.13 2.63 -0.06 3.11 0.20 -1.26 -5.09 118.68 108.07 3d2o s LEU 195 Ca -0.16 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.21 3d2o s LEU 195 Cb 0.05 -1.65 0.01 0.00 -0.43 0.00 0.00 46.19 44.17 3d2o s LEU 195 CO 0.64 -0.01 -0.12 -0.76 -0.29 0.00 0.00 176.35 175.80 3d2o s LEU 196 N 1.39 1.67 0.77 -0.68 1.43 -1.26 -4.71 118.68 117.30 3d2o s LEU 196 Ca 0.05 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.78 3d2o s LEU 196 Cb -0.14 -0.82 0.10 0.00 0.03 0.00 0.00 46.19 45.37 3d2o s LEU 196 CO -0.06 0.04 1.09 -0.54 0.23 0.00 0.00 176.35 177.11 3d2o s LYS 197 N 0.59 1.75 0.15 1.70 3.01 -1.26 -4.83 119.74 120.85 3d2o s LYS 197 Ca -0.13 -0.41 -0.26 0.00 -1.01 0.00 0.00 55.97 54.16 3d2o s LYS 197 Cb -0.15 -2.11 0.00 0.00 -1.01 0.00 0.00 37.83 34.56 3d2o s LYS 197 CO 0.03 -1.56 1.58 0.00 0.51 0.00 0.00 175.35 175.92 3d2o h ARG 198 N -0.85 -0.32 -0.96 1.68 3.08 -2.01 0.58 114.38 115.58 3d2o h ARG 198 Ca -0.43 0.02 0.04 0.00 0.07 0.00 0.00 59.98 59.68 3d2o h ARG 198 Cb 1.29 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.36 3d2o h ARG 198 CO 0.52 -0.22 0.62 -1.00 -1.07 0.00 0.00 179.97 178.83 3d2o h PRO 199 N -0.34 1.17 -0.14 0.04 0.13 -1.99 -1.32 132.00 129.55 3d2o h PRO 199 Ca 0.14 -0.07 0.03 0.00 -0.87 0.00 0.00 66.00 65.22 3d2o h PRO 199 Cb 0.58 -0.26 -0.03 0.00 0.13 0.00 0.00 31.00 31.42 3d2o h PRO 199 CO -0.54 0.78 -0.02 -0.44 -0.23 0.00 0.00 178.00 177.55 3d2o h ASP 200 N 1.21 -0.10 -0.86 1.44 3.32 -1.78 -0.46 116.42 119.20 3d2o h ASP 200 Ca 0.38 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.57 3d2o h ASP 200 Cb -0.00 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 3d2o h ASP 200 CO -0.12 -0.03 0.56 -0.08 -1.72 0.00 0.00 179.24 177.85 3d2o h GLU 201 N 0.02 0.80 -0.14 3.56 4.81 -0.63 0.21 114.58 123.22 3d2o h GLU 201 Ca 0.07 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3d2o h GLU 201 Cb 0.09 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3d2o h GLU 201 CO -0.13 0.53 0.07 -0.22 -0.73 0.00 0.00 179.01 178.53 3d2o h LYS 202 N 0.83 0.20 0.05 1.92 3.64 -0.51 -0.54 116.57 122.16 3d2o h LYS 202 Ca 0.40 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 3d2o h LYS 202 Cb 0.43 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3d2o h LYS 202 CO -0.16 0.24 -0.04 -0.92 -2.27 0.00 0.00 179.45 176.30 3d2o h TYR 203 N 0.11 -0.09 -0.76 1.91 3.20 -0.40 -2.34 116.97 118.60 3d2o h TYR 203 Ca 0.05 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3d2o h TYR 203 Cb 0.11 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3d2o h TYR 203 CO -0.03 -0.06 0.36 0.28 -1.64 0.00 0.00 178.16 177.07 3d2o h VAL 204 N -0.09 1.24 -0.52 1.81 2.07 -0.58 -0.49 116.25 119.70 3d2o h VAL 204 Ca -0.00 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.86 3d2o h VAL 204 Cb 0.08 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3d2o h VAL 204 CO -0.00 0.29 0.31 0.74 0.02 0.00 0.00 177.57 178.93 3d2o h THR 205 N 1.07 1.05 -0.01 2.57 2.02 -0.95 -2.39 112.91 116.28 3d2o h THR 205 Ca 0.26 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3d2o h THR 205 Cb 0.12 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3d2o h THR 205 CO -0.03 0.11 -0.02 -0.33 0.37 0.00 0.00 175.52 175.62 3d2o h GLU 206 N 0.62 0.02 -0.53 6.66 5.08 -1.17 -2.33 114.58 122.94 3d2o h GLU 206 Ca 0.21 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.64 3d2o h GLU 206 Cb 0.02 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 3d2o h GLU 206 CO -0.10 0.68 -0.37 -0.22 -1.00 0.00 0.00 179.01 178.01 3d2o h LYS 207 N -0.63 -0.21 -0.33 2.33 3.64 -1.11 0.16 116.57 120.42 3d2o h LYS 207 Ca -0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3d2o h LYS 207 Cb 0.69 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 3d2o h LYS 207 CO 0.00 -0.14 0.17 0.00 -2.27 0.00 0.00 179.45 177.21 3d2o h ALA 208 N 0.78 0.41 -0.60 5.00 0.00 -1.47 -1.69 119.26 121.69 3d2o h ALA 208 Ca 0.20 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3d2o h ALA 208 Cb 0.56 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3d2o h ALA 208 CO -0.64 -0.20 0.30 -0.92 0.00 0.00 0.00 179.25 177.79 3d2o h TYR 209 N 0.35 0.55 0.00 0.00 3.20 -0.71 -2.71 116.97 117.64 3d2o h TYR 209 Ca 0.14 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3d2o h TYR 209 Cb 0.04 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.15 3d2o h TYR 209 CO -0.09 0.25 0.00 0.93 -1.64 0.00 0.00 178.16 177.60 3d2o h GLU 210 N 0.56 0.00 -1.34 1.82 5.08 -0.21 -3.33 114.58 117.16 3d2o h GLU 210 Ca 0.27 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 58.13 3d2o h GLU 210 Cb 0.20 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.04 3d2o h GLU 210 CO -0.19 0.00 -0.90 -1.71 -1.00 0.00 0.00 179.01 175.20 3d2o n ASN 211 N -2.81 3.51 -4.77 1.42 5.15 -0.68 -5.09 115.26 111.99 3d2o n ASN 211 Ca 0.02 -3.35 -0.40 0.00 -0.60 0.00 0.00 54.58 50.25 3d2o n ASN 211 Cb 0.34 -0.49 -0.02 0.00 -0.53 0.00 0.00 39.78 39.08 3d2o n ASN 211 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3d2o s PRO 212 N -3.38 4.29 -0.06 1.20 0.04 -1.20 -4.30 135.00 131.59 3d2o s PRO 212 Ca 0.40 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 3d2o s PRO 212 Cb 0.42 -2.95 0.04 0.00 0.04 0.00 0.00 34.50 32.05 3d2o s PRO 212 CO -0.11 -0.16 0.13 0.15 0.04 0.00 0.00 177.00 177.05 3d2o s LYS 213 N -1.91 0.08 0.84 4.56 1.02 -0.29 -4.70 119.74 119.34 3d2o s LYS 213 Ca 0.51 0.34 -0.11 0.00 0.02 0.00 0.00 55.97 56.73 3d2o s LYS 213 Cb -0.35 -0.17 0.10 0.00 -0.52 0.00 0.00 37.83 36.88 3d2o s LYS 213 CO 0.46 -0.16 1.10 -0.06 -0.92 0.00 0.00 175.35 175.77 3d2o s PHE 214 N 1.09 2.32 0.31 3.18 0.08 -1.26 -4.25 117.98 119.45 3d2o s PHE 214 Ca -0.09 1.51 0.06 0.00 0.12 0.00 0.00 56.93 58.53 3d2o s PHE 214 Cb -0.11 -3.13 0.75 0.00 -0.57 0.00 0.00 43.02 39.96 3d2o s PHE 214 CO -0.05 -2.18 1.79 -0.24 -0.10 0.00 0.00 175.22 174.44 3d2o h VAL 215 N -1.41 0.73 -0.22 -0.44 3.04 -1.95 -1.54 116.25 114.46 3d2o h VAL 215 Ca -0.46 -0.26 0.03 0.00 -1.01 0.00 0.00 66.70 65.00 3d2o h VAL 215 Cb 1.25 -0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 30.40 3d2o h VAL 215 CO 0.51 0.14 0.03 -0.33 -1.01 0.00 0.00 177.57 176.90 3d2o h GLU 216 N 0.76 0.11 -0.69 4.17 3.07 -1.93 -0.79 114.58 119.29 3d2o h GLU 216 Ca 0.56 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.44 3d2o h GLU 216 Cb 0.87 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.72 3d2o h GLU 216 CO -0.35 0.07 0.44 -0.44 -1.40 0.00 0.00 179.01 177.33 3d2o h ASP 217 N 0.11 0.73 -0.12 1.42 3.32 -1.82 -2.29 116.42 117.77 3d2o h ASP 217 Ca 0.10 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3d2o h ASP 217 Cb 0.11 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3d2o h ASP 217 CO -0.15 0.51 -0.02 -0.03 -1.72 0.00 0.00 179.24 177.83 3d2o h MET 218 N 0.86 0.23 -0.86 3.56 4.05 -1.02 -1.07 114.93 120.68 3d2o h MET 218 Ca 0.27 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 3d2o h MET 218 Cb -0.02 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.73 3d2o h MET 218 CO -0.09 0.52 0.50 -0.39 0.23 0.00 0.00 176.91 177.68 3d2o h VAL 219 N -0.07 1.24 -0.00 -5.77 -1.51 -1.06 -2.50 116.25 106.58 3d2o h VAL 219 Ca 0.03 -0.56 -0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3d2o h VAL 219 Cb 0.43 0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.63 3d2o h VAL 219 CO 0.01 0.26 0.00 0.03 -1.23 0.00 0.00 177.57 176.64 3d2o h ARG 220 N 1.20 0.00 -0.88 5.19 3.08 -1.34 0.20 114.38 121.83 3d2o h ARG 220 Ca 0.31 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.44 3d2o h ARG 220 Cb -0.02 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 3d2o h ARG 220 CO -0.05 0.16 0.54 -0.44 -1.07 0.00 0.00 179.97 179.10 3d2o h ASP 221 N -0.16 0.82 -0.25 7.04 3.32 -1.17 -1.06 116.42 124.96 3d2o h ASP 221 Ca 0.00 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 3d2o h ASP 221 Cb 0.16 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3d2o h ASP 221 CO -0.00 0.50 -0.32 0.58 -1.72 0.00 0.00 179.24 178.28 3d2o h VAL 222 N 0.94 1.31 -0.92 -1.35 2.07 -1.40 -3.17 116.25 113.73 3d2o h VAL 222 Ca 0.40 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3d2o h VAL 222 Cb 0.26 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 3d2o h VAL 222 CO -0.20 0.48 0.59 0.00 0.02 0.00 0.00 177.57 178.45 3d2o h ALA 223 N 0.66 1.17 -0.64 1.67 0.00 -0.61 -1.63 119.26 119.88 3d2o h ALA 223 Ca 0.03 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.98 3d2o h ALA 223 Cb 0.90 -0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 3d2o h ALA 223 CO 0.08 0.59 0.19 1.15 0.00 0.00 0.00 179.25 181.26 3d2o h THR 224 N 1.26 0.67 -0.68 0.00 2.02 -1.24 0.35 112.91 115.29 3d2o h THR 224 Ca 0.33 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.33 3d2o h THR 224 Cb -0.11 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 3d2o h THR 224 CO -0.07 0.06 0.14 0.28 0.37 0.00 0.00 175.52 176.30 3d2o h SER 225 N 0.34 1.06 0.52 4.18 0.02 -1.31 -2.87 113.55 115.49 3d2o h SER 225 Ca 0.34 -0.25 -0.19 0.00 -0.84 0.00 0.00 61.79 60.85 3d2o h SER 225 Cb 0.49 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3d2o h SER 225 CO -0.38 1.04 -0.84 -0.07 -1.14 0.00 0.00 176.83 175.43 3d2o h LEU 226 N 1.04 0.29 -1.44 5.07 3.38 -0.39 -2.75 115.31 120.51 3d2o h LEU 226 Ca 0.21 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3d2o h LEU 226 Cb 0.41 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3d2o h LEU 226 CO 0.01 1.01 0.17 0.40 0.09 0.00 0.00 178.44 180.11 3d2o h ILE 227 N 0.13 1.15 0.00 1.22 2.04 -0.25 -2.98 117.51 118.82 3d2o h ILE 227 Ca -0.04 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 3d2o h ILE 227 Cb 1.45 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3d2o h ILE 227 CO 0.13 0.17 -0.38 0.00 0.00 0.00 0.00 178.15 178.07 3d2o h ALA 228 N 1.64 0.87 -2.16 1.87 0.00 -1.33 -3.43 119.26 116.72 3d2o h ALA 228 Ca 0.14 -0.35 -0.57 0.00 0.00 0.00 0.00 54.91 54.13 3d2o h ALA 228 Cb 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3d2o h ALA 228 CO -0.02 0.48 0.86 0.34 0.00 0.00 0.00 179.25 180.92 3d2o s ASP 229 N -6.38 6.98 0.10 0.00 -1.08 -1.05 -4.90 116.67 110.34 3d2o s ASP 229 Ca 0.02 1.66 0.25 0.00 -0.52 0.00 0.00 52.55 53.96 3d2o s ASP 229 Cb 0.09 -2.54 0.96 0.00 -1.46 0.00 0.00 42.92 39.97 3d2o s ASP 229 CO 0.70 -0.72 1.77 0.29 0.52 0.00 0.00 175.17 177.72 3d2o n LYS 230 N 6.38 0.11 0.25 4.34 4.76 -1.26 -2.74 118.16 130.00 3d2o n LYS 230 Ca 0.13 0.17 0.16 0.00 -2.87 0.00 0.00 58.31 55.90 3d2o n LYS 230 Cb 0.45 -1.65 0.55 0.00 -1.84 0.00 0.00 35.03 32.54 3d2o n LYS 230 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d2o h ARG 231 N 0.00 0.00 -5.24 1.97 3.08 -1.94 -3.45 114.38 108.81 3d2o h ARG 231 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3d2o h ARG 231 Cb 0.51 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.40 3d2o h ARG 231 CO 0.00 0.00 -0.02 0.42 -1.07 0.00 0.00 179.97 179.30 3d2o s ILE 232 N -3.53 4.97 -0.05 2.04 -1.09 -1.11 -2.43 121.20 120.00 3d2o s ILE 232 Ca 0.03 0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.64 3d2o s ILE 232 Cb 0.08 -4.05 -0.26 0.00 -1.58 0.00 0.00 42.46 36.66 3d2o s ILE 232 CO 0.57 -0.35 0.63 0.11 -1.23 0.00 0.00 174.94 174.66 3d2o h LYS 233 N 8.61 0.17 -3.63 2.79 1.79 -1.50 -3.48 116.57 121.33 3d2o h LYS 233 Ca -0.27 -0.29 -0.07 0.00 -2.18 0.00 0.00 60.65 57.84 3d2o h LYS 233 Cb 1.11 0.11 -0.13 0.00 -1.58 0.00 0.00 32.23 31.74 3d2o h LYS 233 CO 0.81 0.95 -0.23 -1.54 -1.08 0.00 0.00 179.45 178.35 3d2o s SER 234 N -6.71 -0.04 0.14 0.86 1.04 -1.17 -4.46 113.70 103.36 3d2o s SER 234 Ca -0.12 -0.53 -0.21 0.00 0.48 0.00 0.00 55.95 55.57 3d2o s SER 234 Cb 0.07 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.66 3d2o s SER 234 CO 0.81 -0.80 0.55 0.72 0.98 0.00 0.00 173.24 175.50 3d2o s PHE 235 N -3.85 -0.45 -0.05 5.02 -0.12 0.52 -1.35 117.98 117.70 3d2o s PHE 235 Ca 0.05 0.24 0.04 0.00 -0.05 0.00 0.00 56.93 57.21 3d2o s PHE 235 Cb 0.03 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 3d2o s PHE 235 CO -0.10 -0.79 -0.17 0.08 -0.05 0.00 0.00 175.22 174.18 3d2o s VAL 236 N -3.64 1.45 -0.20 -2.49 1.01 0.66 -1.06 120.40 116.12 3d2o s VAL 236 Ca 0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 3d2o s VAL 236 Cb -0.00 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 3d2o s VAL 236 CO -0.12 0.42 -0.08 -0.69 0.00 0.00 0.00 175.10 174.64 3d2o s VAL 237 N 0.19 3.12 0.04 2.92 1.01 -0.47 -0.84 120.40 126.38 3d2o s VAL 237 Ca -0.08 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.37 3d2o s VAL 237 Cb -0.13 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3d2o s VAL 237 CO 0.03 0.45 -0.08 -1.61 0.00 0.00 0.00 175.10 173.90 3d2o s GLU 238 N 1.32 2.40 -0.04 2.72 2.02 -0.06 -0.62 118.70 126.45 3d2o s GLU 238 Ca 0.04 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.22 3d2o s GLU 238 Cb -0.14 -2.43 0.01 0.00 0.10 0.00 0.00 34.13 31.67 3d2o s GLU 238 CO -0.04 0.57 -0.09 0.45 0.02 0.00 0.00 175.26 176.17 3d2o s SER 239 N -1.70 1.32 -0.19 -0.19 0.15 -0.61 -0.71 113.70 111.77 3d2o s SER 239 Ca 0.19 -0.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.62 3d2o s SER 239 Cb -0.11 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 3d2o s SER 239 CO 0.10 0.04 -0.13 -0.70 1.20 0.00 0.00 173.24 173.75 3d2o s GLU 240 N 0.45 3.20 -0.32 5.44 2.12 0.01 -2.08 118.70 127.53 3d2o s GLU 240 Ca -0.08 -0.73 -0.08 0.00 0.36 0.00 0.00 54.97 54.44 3d2o s GLU 240 Cb -0.12 -2.74 0.01 0.00 0.26 0.00 0.00 34.13 31.54 3d2o s GLU 240 CO 0.01 -0.13 0.12 -0.80 -0.54 0.00 0.00 175.26 173.92 3d2o s ASN 241 N 1.19 5.32 -1.28 -1.70 0.02 0.03 -1.02 114.94 117.50 3d2o s ASN 241 Ca 0.02 -0.77 -0.16 0.00 -1.02 0.00 0.00 52.86 50.92 3d2o s ASN 241 Cb -0.14 -1.92 -0.01 0.00 0.02 0.00 0.00 41.25 39.20 3d2o s ASN 241 CO -0.05 -0.24 2.11 0.49 0.02 0.00 0.00 177.10 179.43 3d2o n PHE 242 N 4.90 3.23 -1.67 2.20 3.72 -0.71 -2.16 117.46 126.97 3d2o n PHE 242 Ca -0.14 -2.65 -0.64 0.00 -0.05 0.00 0.00 57.45 53.97 3d2o n PHE 242 Cb 0.47 -2.37 -0.09 0.00 -0.94 0.00 0.00 39.48 36.55 3d2o n PHE 242 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3d2o n GLU 243 N 6.58 0.06 0.00 -1.08 -0.58 -1.25 -4.67 120.64 119.70 3d2o n GLU 243 Ca 0.51 0.02 0.12 0.00 -0.42 0.00 0.00 57.16 57.39 3d2o n GLU 243 Cb 0.40 -1.53 0.60 0.00 -0.57 0.00 0.00 31.44 30.34 3d2o n GLU 243 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3d2o n SER 244 N 3.22 0.00 -0.00 1.62 3.41 -1.26 -3.34 113.62 117.26 3d2o n SER 244 Ca 0.27 -0.02 0.07 0.00 -0.26 0.00 0.00 58.87 58.93 3d2o n SER 244 Cb -0.00 -0.30 -0.09 0.00 -0.26 0.00 0.00 64.21 63.55 3d2o n SER 244 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3d2o n ILE 245 N -1.30 0.00 -4.67 -1.33 -5.35 -1.26 -5.01 119.36 100.44 3d2o n ILE 245 Ca 0.11 -0.24 -0.30 0.00 -0.27 0.00 0.00 62.75 62.05 3d2o n ILE 245 Cb 0.20 0.63 -0.08 0.00 -1.74 0.00 0.00 39.64 38.65 3d2o n ILE 245 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3d2o s HIS 246 N -2.61 1.92 -0.26 4.28 3.76 -1.21 -5.06 115.29 116.12 3d2o s HIS 246 Ca 0.01 -1.01 0.12 0.00 -0.15 0.00 0.00 55.06 54.02 3d2o s HIS 246 Cb 0.10 -1.49 0.56 0.00 1.11 0.00 0.00 32.58 32.85 3d2o s HIS 246 CO 0.57 0.10 1.52 -1.71 -0.85 0.00 0.00 174.74 174.37 3d2o n ASN 247 N -1.22 3.43 -4.17 1.40 5.15 -1.26 -4.76 115.26 113.83 3d2o n ASN 247 Ca -0.13 -3.38 -0.21 0.00 -0.60 0.00 0.00 54.58 50.26 3d2o n ASN 247 Cb 0.66 -0.62 -0.09 0.00 -0.53 0.00 0.00 39.78 39.20 3d2o n ASN 247 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 3d2o s HIS 248 N -3.04 1.71 0.13 1.20 -3.43 -1.26 -5.10 115.29 105.49 3d2o s HIS 248 Ca 0.46 -1.23 0.04 0.00 -0.80 0.00 0.00 55.06 53.52 3d2o s HIS 248 Cb 0.39 -1.02 -0.04 0.00 -1.43 0.00 0.00 32.58 30.47 3d2o s HIS 248 CO 0.06 -0.33 0.13 -1.12 -2.00 0.00 0.00 174.74 171.48 3d2o s SER 249 N -3.44 5.62 -0.01 7.38 0.01 -1.26 -3.82 113.70 118.17 3d2o s SER 249 Ca 0.33 -0.05 -0.19 0.00 1.31 0.00 0.00 55.95 57.36 3d2o s SER 249 Cb 0.06 -1.51 -0.05 0.00 0.21 0.00 0.00 66.02 64.72 3d2o s SER 249 CO 0.16 0.11 0.53 0.00 0.41 0.00 0.00 173.24 174.44 3d2o s ALA 250 N -1.61 3.55 0.01 1.44 0.00 -0.92 -4.92 121.76 119.30 3d2o s ALA 250 Ca 0.31 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.21 3d2o s ALA 250 Cb -0.11 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 3d2o s ALA 250 CO 0.23 0.25 -0.03 -0.47 0.00 0.00 0.00 175.76 175.74 3d2o s TYR 251 N -0.41 0.27 0.11 0.00 5.04 -1.26 -0.79 117.35 120.30 3d2o s TYR 251 Ca 0.28 -0.19 -0.17 0.00 -2.44 0.00 0.00 57.07 54.54 3d2o s TYR 251 Cb -0.18 -0.17 0.04 0.00 0.35 0.00 0.00 41.96 42.00 3d2o s TYR 251 CO 0.15 -0.05 0.43 0.00 -1.34 0.00 0.00 175.55 174.74 3d2o s ALA 252 N -0.50 -1.03 0.01 3.97 0.00 -0.88 -4.97 121.76 118.35 3d2o s ALA 252 Ca -0.04 0.12 -0.22 0.00 0.00 0.00 0.00 51.96 51.82 3d2o s ALA 252 Cb -0.04 0.61 0.05 0.00 0.00 0.00 0.00 23.12 23.74 3d2o s ALA 252 CO -0.00 -0.60 0.50 1.52 0.00 0.00 0.00 175.76 177.17 3d2o s TYR 253 N -3.42 -0.40 -0.08 0.00 1.13 -1.26 -1.57 117.35 111.74 3d2o s TYR 253 Ca 0.00 0.56 0.03 0.00 -1.41 0.00 0.00 57.07 56.26 3d2o s TYR 253 Cb 0.01 0.28 0.01 0.00 -1.10 0.00 0.00 41.96 41.16 3d2o s TYR 253 CO -0.09 -0.56 -0.19 0.42 -2.51 0.00 0.00 175.55 172.61 3d2o s ILE 254 N -1.84 1.66 -0.08 -3.49 1.01 0.21 -4.97 121.20 113.70 3d2o s ILE 254 Ca -0.09 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.78 3d2o s ILE 254 Cb -0.02 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 3d2o s ILE 254 CO 0.03 0.47 -0.08 0.00 0.00 0.00 0.00 174.94 175.36 3d2o s ALA 255 N 0.46 2.93 -0.10 9.38 0.00 -1.26 -1.37 121.76 131.80 3d2o s ALA 255 Ca -0.17 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 3d2o s ALA 255 Cb -0.17 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.75 3d2o s ALA 255 CO 0.07 0.51 0.25 -0.47 0.00 0.00 0.00 175.76 176.12 3d2o s TYR 256 N -0.61 -0.29 -2.00 0.00 5.04 -0.23 -5.01 117.35 114.25 3d2o s TYR 256 Ca 0.09 0.70 0.32 0.00 -2.44 0.00 0.00 57.07 55.74 3d2o s TYR 256 Cb -0.12 0.08 1.91 0.00 0.35 0.00 0.00 41.96 44.19 3d2o s TYR 256 CO 0.02 -0.16 2.23 -0.35 -1.34 0.00 0.00 175.55 175.95