#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm s TYR 8 N 0.00 2.92 0.00 1.61 5.04 -1.26 -4.90 117.35 120.76 3bdm s TYR 8 Ca 0.00 0.83 0.14 0.00 -2.44 0.00 0.00 57.07 55.59 3bdm s TYR 8 Cb 0.00 -3.68 0.23 0.00 0.35 0.00 0.00 41.96 38.86 3bdm s TYR 8 CO 0.00 -2.49 1.06 -0.40 -1.34 0.00 0.00 175.55 172.38 3bdm n ASP 9 N 5.06 0.43 -4.70 4.32 5.75 -1.26 -4.36 116.55 121.79 3bdm n ASP 9 Ca 0.13 -1.94 -0.44 0.00 -0.01 0.00 0.00 54.79 52.53 3bdm n ASP 9 Cb 0.43 -0.20 -0.02 0.00 -1.03 0.00 0.00 41.12 40.30 3bdm n ASP 9 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3bdm n ARG 10 N 0.26 2.37 -2.36 0.11 0.00 -1.26 -3.63 116.66 112.15 3bdm n ARG 10 Ca 0.01 0.85 -0.41 0.00 -0.00 0.00 0.00 57.85 58.29 3bdm n ARG 10 Cb 0.93 -2.58 -0.03 0.00 0.00 0.00 0.00 32.46 30.78 3bdm n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3bdm s ALA 11 N 0.22 2.68 -0.06 5.13 0.00 -1.26 -0.44 121.76 128.03 3bdm s ALA 11 Ca 0.69 -0.81 0.14 0.00 0.00 0.00 0.00 51.96 51.97 3bdm s ALA 11 Cb -0.58 -4.17 -0.18 0.00 0.00 0.00 0.00 23.12 18.19 3bdm s ALA 11 CO 0.46 -3.18 0.83 -0.07 0.00 0.00 0.00 175.76 173.80 3bdm h LEU 12 N 13.69 0.00 -8.03 0.00 3.38 -1.87 -3.42 115.31 119.06 3bdm h LEU 12 Ca -0.27 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 56.97 3bdm h LEU 12 Cb 1.10 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.56 3bdm h LEU 12 CO 1.21 0.82 -0.40 -0.44 0.09 0.00 0.00 178.44 179.72 3bdm s SER 13 N -6.07 5.74 0.24 -0.43 0.01 -1.26 -4.67 113.70 107.26 3bdm s SER 13 Ca -0.03 -1.75 0.02 0.00 1.31 0.00 0.00 55.95 55.50 3bdm s SER 13 Cb 0.08 -2.03 -0.05 0.00 0.21 0.00 0.00 66.02 64.24 3bdm s SER 13 CO 0.81 -0.66 0.06 0.27 0.41 0.00 0.00 173.24 174.14 3bdm s ILE 14 N 1.41 0.65 0.40 1.44 -4.36 -1.26 -4.81 121.20 114.68 3bdm s ILE 14 Ca 0.05 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.21 3bdm s ILE 14 Cb -0.25 -2.49 -0.10 0.00 1.25 0.00 0.00 42.46 40.87 3bdm s ILE 14 CO 0.01 -0.15 1.00 -0.36 0.24 0.00 0.00 174.94 175.68 3bdm s PHE 15 N -3.68 3.33 0.36 1.37 0.08 -1.26 -4.18 117.98 114.01 3bdm s PHE 15 Ca 0.34 1.66 0.08 0.00 0.12 0.00 0.00 56.93 59.12 3bdm s PHE 15 Cb 0.07 -2.99 -0.05 0.00 -0.57 0.00 0.00 43.02 39.48 3bdm s PHE 15 CO 0.11 -0.32 0.12 -1.54 -0.10 0.00 0.00 175.22 173.49 3bdm s SER 16 N -1.81 4.49 0.34 1.36 1.04 -0.81 -4.94 113.70 113.36 3bdm s SER 16 Ca 0.59 -0.91 0.13 0.00 0.48 0.00 0.00 55.95 56.23 3bdm s SER 16 Cb -0.17 -0.61 1.06 0.00 0.10 0.00 0.00 66.02 66.41 3bdm s SER 16 CO 0.21 -0.36 1.63 -0.65 0.98 0.00 0.00 173.24 175.06 3bdm h PRO 17 N 1.57 0.20 -0.05 4.02 0.11 -1.98 0.22 132.00 136.08 3bdm h PRO 17 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3bdm h PRO 17 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3bdm h PRO 17 CO 0.66 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 3bdm n ASP 18 N -5.17 0.35 -1.43 -2.05 5.75 -1.26 -4.89 116.55 107.85 3bdm n ASP 18 Ca 0.31 -1.75 -0.07 0.00 -0.01 0.00 0.00 54.79 53.27 3bdm n ASP 18 Cb 0.99 -0.03 0.02 0.00 -1.03 0.00 0.00 41.12 41.07 3bdm n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bdm n GLY 19 N 0.73 0.50 3.33 6.12 0.00 0.76 -5.06 105.19 111.58 3bdm n GLY 19 Ca 0.08 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 3bdm n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bdm s HIS 20 N -3.10 2.11 -0.59 1.61 3.76 -1.25 -4.88 115.29 112.94 3bdm s HIS 20 Ca 0.17 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.57 3bdm s HIS 20 Cb -0.07 -1.18 0.15 0.00 1.11 0.00 0.00 32.58 32.58 3bdm s HIS 20 CO 0.22 0.23 0.50 0.42 -0.85 0.00 0.00 174.74 175.26 3bdm s ILE 21 N -1.00 4.81 0.23 0.60 -1.09 -1.26 -1.92 121.20 121.55 3bdm s ILE 21 Ca 0.11 -1.98 -0.08 0.00 -2.23 0.00 0.00 60.65 56.47 3bdm s ILE 21 Cb -0.10 -4.08 0.18 0.00 -1.58 0.00 0.00 42.46 36.88 3bdm s ILE 21 CO 0.04 -0.88 1.85 -0.26 -1.23 0.00 0.00 174.94 174.46 3bdm h PHE 22 N 8.28 0.90 -0.39 3.97 0.04 -1.95 -1.89 116.94 125.91 3bdm h PHE 22 Ca -0.14 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.71 3bdm h PHE 22 Cb 1.06 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.90 3bdm h PHE 22 CO 0.77 0.48 0.27 1.96 -0.60 0.00 0.00 178.31 181.19 3bdm h GLN 23 N 0.92 0.28 -0.07 1.51 1.08 -1.89 0.21 115.11 117.15 3bdm h GLN 23 Ca 0.33 -0.02 -0.23 0.00 -1.45 0.00 0.00 58.65 57.28 3bdm h GLN 23 Cb 0.10 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3bdm h GLN 23 CO -0.15 0.18 -0.89 0.28 -0.95 0.00 0.00 178.83 177.31 3bdm h VAL 24 N 0.29 1.31 -0.44 -0.54 2.07 -1.75 -2.19 116.25 115.00 3bdm h VAL 24 Ca 0.17 -2.16 -0.04 0.00 0.82 0.00 0.00 66.70 65.50 3bdm h VAL 24 Cb 0.32 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3bdm h VAL 24 CO -0.04 0.67 0.11 -0.33 0.02 0.00 0.00 177.57 178.01 3bdm h GLU 25 N 0.42 0.69 0.00 1.57 5.08 -0.53 -2.11 114.58 119.70 3bdm h GLU 25 Ca -0.08 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 3bdm h GLU 25 Cb 1.52 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 3bdm h GLU 25 CO 0.17 0.69 -0.13 1.88 -1.00 0.00 0.00 179.01 180.63 3bdm h TYR 26 N 0.57 0.00 -0.46 4.33 0.05 -0.64 -0.75 116.97 120.07 3bdm h TYR 26 Ca 0.14 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.78 3bdm h TYR 26 Cb 0.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 3bdm h TYR 26 CO 0.02 0.13 -0.26 0.00 -1.05 0.00 0.00 178.16 177.00 3bdm h ALA 27 N 1.87 0.66 -0.76 3.88 0.00 -0.75 -2.64 119.26 121.52 3bdm h ALA 27 Ca -0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3bdm h ALA 27 Cb 0.40 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3bdm h ALA 27 CO 0.02 0.68 0.31 -0.07 0.00 0.00 0.00 179.25 180.18 3bdm h LEU 28 N 0.84 1.03 -1.53 0.00 3.38 -0.61 -2.14 115.31 116.29 3bdm h LEU 28 Ca 0.10 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3bdm h LEU 28 Cb 0.85 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3bdm h LEU 28 CO 0.07 0.91 0.34 -0.33 0.09 0.00 0.00 178.44 179.52 3bdm h GLU 29 N 1.10 0.62 0.00 1.13 4.39 -1.08 0.11 114.58 120.85 3bdm h GLU 29 Ca 0.25 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 3bdm h GLU 29 Cb 0.19 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3bdm h GLU 29 CO -0.02 0.41 -0.32 0.00 -1.16 0.00 0.00 179.01 177.92 3bdm h ALA 30 N 1.69 1.28 -0.08 3.43 0.00 -1.05 -2.59 119.26 121.94 3bdm h ALA 30 Ca 0.19 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3bdm h ALA 30 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3bdm h ALA 30 CO -0.05 0.40 -0.29 0.28 0.00 0.00 0.00 179.25 179.59 3bdm h VAL 31 N 0.00 1.41 -0.54 0.00 2.07 -0.59 -2.94 116.25 115.66 3bdm h VAL 31 Ca -0.00 -1.66 0.12 0.00 0.82 0.00 0.00 66.70 65.98 3bdm h VAL 31 Cb 0.64 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 3bdm h VAL 31 CO 0.04 0.48 0.37 0.11 0.02 0.00 0.00 177.57 178.59 3bdm h LYS 32 N -0.14 0.17 0.00 1.57 1.57 -0.92 -1.57 116.57 117.25 3bdm h LYS 32 Ca -0.01 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 3bdm h LYS 32 Cb 0.92 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 3bdm h LYS 32 CO 0.06 0.11 -0.88 -0.09 -0.57 0.00 0.00 179.45 178.08 3bdm h ARG 33 N 0.18 0.00 -7.25 3.15 2.43 -1.42 -2.82 114.38 108.64 3bdm h ARG 33 Ca 0.26 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.95 3bdm h ARG 33 Cb 0.77 0.00 0.18 0.00 -0.42 0.00 0.00 29.97 30.50 3bdm h ARG 33 CO -0.04 0.88 0.16 0.20 -1.51 0.00 0.00 179.97 179.67 3bdm s GLY 34 N -4.65 1.62 1.11 2.80 0.00 -0.59 -4.69 107.32 102.92 3bdm s GLY 34 Ca 0.02 0.12 -0.13 0.00 0.00 0.00 0.00 44.72 44.72 3bdm s GLY 34 CO 0.80 0.66 0.85 -1.30 0.00 0.00 0.00 173.10 174.11 3bdm n THR 35 N -4.33 0.00 -3.08 0.90 -2.24 -1.26 -1.58 114.28 102.69 3bdm n THR 35 Ca 0.07 -0.33 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 3bdm n THR 35 Cb 0.54 -0.91 -0.05 0.00 -2.10 0.00 0.00 70.33 67.80 3bdm n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bdm s ALA 37 N -2.06 -0.21 0.01 0.00 0.00 0.57 -1.83 121.76 118.24 3bdm s ALA 37 Ca 0.53 0.03 -0.07 0.00 0.00 0.00 0.00 51.96 52.45 3bdm s ALA 37 Cb -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 3bdm s ALA 37 CO 0.20 -0.11 0.13 0.54 0.00 0.00 0.00 175.76 176.52 3bdm s VAL 38 N -0.60 0.10 -0.08 0.00 0.11 0.11 -0.97 120.40 119.07 3bdm s VAL 38 Ca -0.07 -0.79 -0.04 0.00 -2.93 0.00 0.00 61.98 58.15 3bdm s VAL 38 Cb -0.04 -0.56 0.03 0.00 -1.53 0.00 0.00 36.38 34.28 3bdm s VAL 38 CO 0.00 -0.44 0.18 -0.83 -3.33 0.00 0.00 175.10 170.69 3bdm s GLY 39 N -1.60 -0.09 -0.05 6.54 0.00 -0.06 -0.46 107.32 111.61 3bdm s GLY 39 Ca -0.12 0.71 0.01 0.00 0.00 0.00 0.00 44.72 45.32 3bdm s GLY 39 CO -0.00 0.91 -0.05 -1.34 0.00 0.00 0.00 173.10 172.61 3bdm s VAL 40 N 0.89 0.59 -0.13 1.40 -7.23 -0.80 -0.59 120.40 114.54 3bdm s VAL 40 Ca -0.07 -0.16 -0.13 0.00 -1.81 0.00 0.00 61.98 59.81 3bdm s VAL 40 Cb -0.08 -0.60 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 3bdm s VAL 40 CO -0.05 0.24 0.30 -1.59 -0.31 0.00 0.00 175.10 173.69 3bdm s LYS 41 N 0.87 4.10 0.00 4.82 -2.85 0.18 -1.71 119.74 125.15 3bdm s LYS 41 Ca -0.12 0.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.99 3bdm s LYS 41 Cb -0.14 -3.36 0.00 0.00 -2.06 0.00 0.00 37.83 32.26 3bdm s LYS 41 CO 0.01 0.38 0.00 0.41 0.10 0.00 0.00 175.35 176.25 3bdm n GLY 42 N 2.94 1.32 0.22 0.59 0.00 0.18 -4.62 105.19 105.82 3bdm n GLY 42 Ca -0.13 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.40 3bdm n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3bdm n LYS 43 N 0.00 1.94 -0.42 1.61 4.81 -1.24 -4.57 118.16 120.29 3bdm n LYS 43 Ca 0.00 -0.50 0.00 0.00 -0.87 0.00 0.00 58.31 56.94 3bdm n LYS 43 Cb 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 33.83 3bdm n LYS 43 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3bdm n ASN 44 N -0.57 0.00 -3.57 3.14 6.94 -1.26 -4.85 115.26 115.08 3bdm n ASN 44 Ca 0.05 -1.12 -0.03 0.00 -0.02 0.00 0.00 54.58 53.46 3bdm n ASN 44 Cb 0.28 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 3bdm n ASN 44 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3bdm s VAL 46 N -2.74 0.11 -0.02 0.00 1.01 -0.79 0.52 120.40 118.48 3bdm s VAL 46 Ca 0.16 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.98 3bdm s VAL 46 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.23 3bdm s VAL 46 CO 0.03 -0.07 -0.17 -0.69 0.00 0.00 0.00 175.10 174.21 3bdm s VAL 47 N -0.29 1.34 -0.08 2.92 1.01 -0.70 -1.09 120.40 123.52 3bdm s VAL 47 Ca -0.02 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.30 3bdm s VAL 47 Cb -0.02 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 3bdm s VAL 47 CO -0.00 0.38 -0.24 -0.76 0.00 0.00 0.00 175.10 174.48 3bdm s LEU 48 N -0.24 2.06 -0.01 3.92 1.43 -0.41 -1.91 118.68 123.52 3bdm s LEU 48 Ca 0.03 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 3bdm s LEU 48 Cb -0.08 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 3bdm s LEU 48 CO 0.00 0.19 -0.11 -0.83 0.23 0.00 0.00 176.35 175.83 3bdm s GLY 49 N 0.11 0.56 0.02 -3.19 0.00 0.39 -1.45 107.32 103.77 3bdm s GLY 49 Ca -0.12 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.12 3bdm s GLY 49 CO 0.06 -0.42 -0.06 0.00 0.00 0.00 0.00 173.10 172.68 3bdm s GLU 51 N -1.04 3.36 -0.12 0.00 -1.05 -0.76 -2.06 118.70 117.03 3bdm s GLU 51 Ca -0.07 -0.31 0.03 0.00 -0.15 0.00 0.00 54.97 54.46 3bdm s GLU 51 Cb -0.07 -2.59 0.01 0.00 -0.44 0.00 0.00 34.13 31.03 3bdm s GLU 51 CO 0.00 -0.02 -0.20 1.03 0.95 0.00 0.00 175.26 177.01 3bdm s ARG 52 N -4.44 2.77 1.06 -4.83 0.52 0.85 -4.66 118.95 110.21 3bdm s ARG 52 Ca 0.43 -0.77 -0.16 0.00 -0.52 0.00 0.00 55.73 54.71 3bdm s ARG 52 Cb -0.10 -2.22 0.08 0.00 0.52 0.00 0.00 34.95 33.23 3bdm s ARG 52 CO 0.38 0.03 0.15 0.54 0.02 0.00 0.00 175.30 176.42 3bdm n ARG 53 N 3.94 -1.11 0.00 3.54 1.74 -1.26 -4.82 116.66 118.69 3bdm n ARG 53 Ca -0.20 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.59 3bdm n ARG 53 Cb 0.52 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 3bdm n ARG 53 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3bdm n SER 54 N -1.53 0.32 0.26 0.55 7.64 -1.26 -4.82 113.62 114.77 3bdm n SER 54 Ca 0.03 -1.16 0.17 0.00 1.01 0.00 0.00 58.87 58.92 3bdm n SER 54 Cb 0.59 0.00 0.78 0.00 -1.01 0.00 0.00 64.21 64.57 3bdm n SER 54 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3bdm h THR 55 N 2.50 0.12 -2.64 0.44 2.02 -2.08 -3.39 112.91 109.89 3bdm h THR 55 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3bdm h THR 55 Cb 0.91 0.65 -0.22 0.00 -1.74 0.00 0.00 68.15 67.76 3bdm h THR 55 CO 0.00 0.00 -0.14 -0.76 0.37 0.00 0.00 175.52 174.99 3bdm s LEU 56 N -6.29 0.26 -0.17 2.58 2.01 -1.26 -5.15 118.68 110.65 3bdm s LEU 56 Ca -0.04 0.64 -0.04 0.00 0.01 0.00 0.00 54.13 54.71 3bdm s LEU 56 Cb 0.11 1.66 0.09 0.00 0.01 0.00 0.00 46.19 48.05 3bdm s LEU 56 CO 0.36 -0.32 0.27 -0.75 1.01 0.00 0.00 176.35 176.91 3bdm s LYS 57 N -0.47 0.20 0.00 1.70 2.36 -1.26 -4.84 119.74 117.43 3bdm s LYS 57 Ca -0.06 0.52 0.00 0.00 -2.55 0.00 0.00 55.97 53.88 3bdm s LYS 57 Cb -0.03 -0.52 0.00 0.00 -1.05 0.00 0.00 37.83 36.22 3bdm s LYS 57 CO 0.03 -0.47 0.00 -0.11 1.55 0.00 0.00 175.35 176.35 3bdm n LEU 58 N 5.34 0.00 -4.83 5.43 7.94 -1.26 -5.15 117.00 124.47 3bdm n LEU 58 Ca -0.06 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.54 3bdm n LEU 58 Cb 0.50 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.49 3bdm n LEU 58 CO 0.05 0.00 0.71 -1.10 -1.11 0.00 0.00 177.39 175.94 3bdm s GLN 59 N 0.00 3.04 -0.63 1.96 -0.21 -1.26 -5.03 119.66 117.53 3bdm s GLN 59 Ca 0.00 0.88 -0.03 0.00 0.02 0.00 0.00 55.36 56.23 3bdm s GLN 59 Cb 0.00 -2.01 0.16 0.00 1.00 0.00 0.00 33.01 32.16 3bdm s GLN 59 CO 0.00 -1.00 0.45 0.34 -2.12 0.00 0.00 175.29 172.95 3bdm s ASP 60 N -3.91 5.27 0.63 5.90 3.68 -1.26 -4.94 116.67 122.04 3bdm s ASP 60 Ca 0.57 -2.86 0.35 0.00 2.13 0.00 0.00 52.55 52.75 3bdm s ASP 60 Cb -0.13 -1.86 1.96 0.00 -1.45 0.00 0.00 42.92 41.44 3bdm s ASP 60 CO 0.55 -0.37 2.19 0.71 0.13 0.00 0.00 175.17 178.38 3bdm h THR 61 N 5.26 0.23 0.32 1.71 1.35 -1.96 -1.63 112.91 118.19 3bdm h THR 61 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 3bdm h THR 61 Cb 0.95 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 68.24 3bdm h THR 61 CO 0.71 0.00 -0.38 0.03 -0.25 0.00 0.00 175.52 175.63 3bdm h ARG 62 N 0.00 -0.69 0.00 4.72 3.08 -2.02 -3.33 114.38 116.14 3bdm h ARG 62 Ca 0.03 0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3bdm h ARG 62 Cb 0.27 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3bdm h ARG 62 CO -0.00 -0.46 -0.02 -0.84 -1.07 0.00 0.00 179.97 177.58 3bdm h ILE 62 N -0.71 1.69 -0.92 2.04 3.07 -1.97 -3.47 117.51 117.24 3bdm h ILE 62 Ca -0.04 -2.05 -0.75 0.00 1.55 0.00 0.00 64.86 63.57 3bdm h ILE 62 Cb 0.64 3.07 0.03 0.00 -0.27 0.00 0.00 36.82 40.29 3bdm h ILE 62 CO -0.08 0.53 0.23 0.41 -1.05 0.00 0.00 178.15 178.19 3bdm n THR 63 N -4.66 0.00 -1.66 0.16 -1.04 -0.63 -4.76 114.28 101.70 3bdm n THR 63 Ca -0.10 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.45 3bdm n THR 63 Cb 0.43 -0.14 -0.04 0.00 -1.82 0.00 0.00 70.33 68.76 3bdm n THR 63 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3bdm n PRO 64 N 2.08 1.96 -2.21 -2.82 -0.04 -1.26 -4.90 135.00 127.81 3bdm n PRO 64 Ca 0.21 0.70 -0.29 0.00 -0.04 0.00 0.00 63.50 64.09 3bdm n PRO 64 Cb 0.03 -2.41 0.02 0.00 -0.04 0.00 0.00 33.50 31.11 3bdm n PRO 64 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3bdm s SER 65 N 0.61 5.90 0.36 3.54 1.04 -1.26 -5.02 113.70 118.87 3bdm s SER 65 Ca 0.75 1.04 0.20 0.00 0.48 0.00 0.00 55.95 58.42 3bdm s SER 65 Cb -0.71 -2.09 0.21 0.00 0.10 0.00 0.00 66.02 63.53 3bdm s SER 65 CO 0.43 -0.95 1.51 0.50 0.98 0.00 0.00 173.24 175.71 3bdm h LYS 66 N -0.21 0.00 -4.95 4.02 1.63 -1.96 -3.43 116.57 111.67 3bdm h LYS 66 Ca -0.45 0.00 -0.65 0.00 -0.85 0.00 0.00 60.65 58.70 3bdm h LYS 66 Cb 1.23 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 32.65 3bdm h LYS 66 CO 0.62 0.20 -0.60 0.08 -3.45 0.00 0.00 179.45 176.31 3bdm s VAL 67 N -3.11 4.57 0.21 2.00 1.01 -1.26 -3.97 120.40 119.85 3bdm s VAL 67 Ca 0.05 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.03 3bdm s VAL 67 Cb 0.06 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3bdm s VAL 67 CO 0.71 0.32 0.01 -0.44 0.00 0.00 0.00 175.10 175.69 3bdm s SER 68 N 1.62 4.73 -0.25 3.32 0.01 0.71 -4.89 113.70 118.95 3bdm s SER 68 Ca 0.06 -0.47 -0.10 0.00 1.31 0.00 0.00 55.95 56.75 3bdm s SER 68 Cb -0.15 -0.98 -0.05 0.00 0.21 0.00 0.00 66.02 65.05 3bdm s SER 68 CO 0.05 0.06 0.16 -0.54 0.41 0.00 0.00 173.24 173.38 3bdm s LYS 69 N -3.20 4.03 -0.07 12.44 1.02 -1.26 0.14 119.74 132.83 3bdm s LYS 69 Ca 0.29 -0.29 -0.21 0.00 0.02 0.00 0.00 55.97 55.78 3bdm s LYS 69 Cb -0.08 -3.55 -0.29 0.00 -0.52 0.00 0.00 37.83 33.38 3bdm s LYS 69 CO 0.19 0.01 0.77 0.82 -0.92 0.00 0.00 175.35 176.22 3bdm h ILE 70 N 5.10 1.39 -1.72 2.17 1.08 -1.40 -3.48 117.51 120.66 3bdm h ILE 70 Ca -0.37 -2.48 0.00 0.00 -0.39 0.00 0.00 64.86 61.62 3bdm h ILE 70 Cb 1.17 3.06 0.00 0.00 -3.07 0.00 0.00 36.82 37.98 3bdm h ILE 70 CO 0.63 0.69 0.00 -0.67 -0.69 0.00 0.00 178.15 178.11 3bdm n ASP 71 N -4.12 0.01 0.09 1.72 4.64 -1.15 -4.60 116.55 113.15 3bdm n ASP 71 Ca -0.17 -0.70 0.13 0.00 -1.38 0.00 0.00 54.79 52.66 3bdm n ASP 71 Cb 0.81 0.00 0.45 0.00 -1.04 0.00 0.00 41.12 41.34 3bdm n ASP 71 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3bdm n SER 72 N -2.10 0.65 -0.13 1.67 3.41 -1.26 -3.58 113.62 112.28 3bdm n SER 72 Ca 0.00 0.58 0.02 0.00 -0.26 0.00 0.00 58.87 59.21 3bdm n SER 72 Cb 0.00 -0.75 0.02 0.00 -0.26 0.00 0.00 64.21 63.22 3bdm n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bdm n HIS 73 N -2.13 0.01 -4.26 7.33 1.44 -1.26 -4.23 115.22 112.13 3bdm n HIS 73 Ca 0.05 -0.06 -0.18 0.00 -2.01 0.00 0.00 57.72 55.52 3bdm n HIS 73 Cb 0.37 -0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.33 3bdm n HIS 73 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3bdm s VAL 74 N -0.34 0.58 0.28 0.61 1.01 -1.23 -3.15 120.40 118.16 3bdm s VAL 74 Ca 0.04 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.84 3bdm s VAL 74 Cb 0.03 -0.52 -0.06 0.00 0.00 0.00 0.00 36.38 35.83 3bdm s VAL 74 CO 0.04 0.18 -0.10 0.68 0.00 0.00 0.00 175.10 175.90 3bdm s VAL 75 N 0.13 1.93 -0.14 2.92 -7.23 -0.29 -1.01 120.40 116.72 3bdm s VAL 75 Ca -0.01 -2.20 -0.06 0.00 -1.81 0.00 0.00 61.98 57.89 3bdm s VAL 75 Cb -0.06 -2.40 0.06 0.00 0.56 0.00 0.00 36.38 34.54 3bdm s VAL 75 CO -0.00 -0.34 0.30 -0.22 -0.31 0.00 0.00 175.10 174.52 3bdm s LEU 76 N -3.47 -0.07 0.34 1.32 0.20 0.37 -2.00 118.68 115.36 3bdm s LEU 76 Ca 0.29 0.66 0.09 0.00 0.69 0.00 0.00 54.13 55.87 3bdm s LEU 76 Cb 0.01 0.89 -0.06 0.00 -0.43 0.00 0.00 46.19 46.60 3bdm s LEU 76 CO 0.13 -0.21 -0.03 -0.94 -0.29 0.00 0.00 176.35 175.01 3bdm s SER 77 N 1.90 4.02 0.29 3.68 1.04 -0.37 -0.20 113.70 124.05 3bdm s SER 77 Ca -0.04 -1.05 -0.10 0.00 0.48 0.00 0.00 55.95 55.24 3bdm s SER 77 Cb -0.11 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.54 3bdm s SER 77 CO -0.10 -0.21 0.51 0.72 0.98 0.00 0.00 173.24 175.14 3bdm s PHE 78 N -2.54 0.58 -0.07 5.02 -0.12 -1.25 -0.92 117.98 118.67 3bdm s PHE 78 Ca 0.34 -0.93 -0.03 0.00 -0.05 0.00 0.00 56.93 56.25 3bdm s PHE 78 Cb 0.00 0.16 0.04 0.00 -0.63 0.00 0.00 43.02 42.60 3bdm s PHE 78 CO 0.18 -1.10 0.15 -1.12 -0.05 0.00 0.00 175.22 173.27 3bdm s SER 79 N -3.10 0.14 0.00 1.98 0.01 -0.62 -4.78 113.70 107.33 3bdm s SER 79 Ca 0.25 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.81 3bdm s SER 79 Cb -0.01 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.42 3bdm s SER 79 CO 0.13 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.21 3bdm n GLY 80 N 4.53 0.53 3.73 3.44 0.00 -1.26 -1.54 105.19 114.62 3bdm n GLY 80 Ca -0.20 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 3bdm n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdm s LEU 81 N 0.00 4.43 0.02 0.99 1.43 0.14 -4.69 118.68 120.99 3bdm s LEU 81 Ca 0.00 2.05 -0.26 0.00 -1.03 0.00 0.00 54.13 54.89 3bdm s LEU 81 Cb 0.00 -3.59 -0.16 0.00 0.03 0.00 0.00 46.19 42.46 3bdm s LEU 81 CO 0.00 -0.34 1.26 0.78 0.23 0.00 0.00 176.35 178.27 3bdm h ASN 82 N 5.92 -0.45 -0.75 2.29 -0.26 -1.98 -3.00 115.58 117.36 3bdm h ASN 82 Ca -0.43 -0.12 0.13 0.00 -0.56 0.00 0.00 56.30 55.32 3bdm h ASN 82 Cb 1.21 0.12 -0.13 0.00 -1.06 0.00 0.00 38.32 38.45 3bdm h ASN 82 CO 0.76 -0.10 -0.32 0.00 -1.06 0.00 0.00 177.43 176.71 3bdm h ALA 83 N -0.38 0.14 -0.29 -0.83 0.00 -1.99 0.25 119.26 116.17 3bdm h ALA 83 Ca -0.05 0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3bdm h ALA 83 Cb 0.54 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3bdm h ALA 83 CO 0.09 -0.60 0.22 -0.44 0.00 0.00 0.00 179.25 178.51 3bdm h ASP 84 N -0.08 0.00 -0.49 0.00 3.45 -1.93 -2.20 116.42 115.17 3bdm h ASP 84 Ca 0.30 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.66 3bdm h ASP 84 Cb 0.57 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.33 3bdm h ASP 84 CO -0.79 0.00 -0.07 0.77 -1.57 0.00 0.00 179.24 177.57 3bdm h SER 85 N 0.00 0.91 -0.53 6.45 4.64 -0.35 -3.03 113.55 121.64 3bdm h SER 85 Ca 0.14 -0.34 0.09 0.00 -0.47 0.00 0.00 61.79 61.21 3bdm h SER 85 Cb 0.57 -0.25 -0.07 0.00 -0.31 0.00 0.00 62.40 62.34 3bdm h SER 85 CO -0.00 1.04 0.11 0.03 -0.87 0.00 0.00 176.83 177.14 3bdm h ARG 86 N 0.76 0.24 -0.44 4.77 3.08 -1.21 0.26 114.38 121.85 3bdm h ARG 86 Ca 0.13 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.20 3bdm h ARG 86 Cb 0.62 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 3bdm h ARG 86 CO 0.04 0.16 0.21 0.82 -1.07 0.00 0.00 179.97 180.13 3bdm h ILE 87 N 0.25 0.96 -0.34 2.04 1.08 -1.58 -0.20 117.51 119.71 3bdm h ILE 87 Ca 0.27 -0.14 -0.04 0.00 -0.39 0.00 0.00 64.86 64.55 3bdm h ILE 87 Cb 0.37 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 3bdm h ILE 87 CO -0.34 0.08 0.04 -0.07 -0.69 0.00 0.00 178.15 177.17 3bdm h LEU 88 N 0.42 0.55 0.21 1.44 3.38 -1.13 -2.15 115.31 118.04 3bdm h LEU 88 Ca 0.19 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3bdm h LEU 88 Cb 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3bdm h LEU 88 CO -0.14 0.68 -0.14 0.40 0.09 0.00 0.00 178.44 179.33 3bdm h ILE 89 N 0.40 0.69 -0.26 1.22 2.04 -0.25 -1.50 117.51 119.86 3bdm h ILE 89 Ca 0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.02 3bdm h ILE 89 Cb 0.37 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 3bdm h ILE 89 CO 0.01 0.00 -0.11 -0.08 0.00 0.00 0.00 178.15 177.97 3bdm h GLU 90 N -0.35 -0.07 -0.65 2.37 4.57 -1.03 0.16 114.58 119.59 3bdm h GLU 90 Ca -0.01 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 3bdm h GLU 90 Cb 0.30 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.85 3bdm h GLU 90 CO 0.01 -0.04 0.35 0.87 -1.18 0.00 0.00 179.01 179.01 3bdm h LYS 91 N -0.07 0.63 -0.31 1.92 1.57 -1.21 -1.42 116.57 117.68 3bdm h LYS 91 Ca 0.13 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 3bdm h LYS 91 Cb 0.27 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3bdm h LYS 91 CO -0.30 0.42 -0.31 0.00 -0.57 0.00 0.00 179.45 178.69 3bdm h ALA 92 N 1.35 0.89 -0.65 3.86 0.00 -0.68 -1.88 119.26 122.15 3bdm h ALA 92 Ca 0.30 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3bdm h ALA 92 Cb 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3bdm h ALA 92 CO -0.19 0.63 0.35 0.00 0.00 0.00 0.00 179.25 180.03 3bdm h ARG 93 N 0.56 0.91 -0.49 0.00 3.08 -0.04 -0.62 114.38 117.77 3bdm h ARG 93 Ca 0.07 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 3bdm h ARG 93 Cb 0.80 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 3bdm h ARG 93 CO 0.07 0.69 -0.09 0.28 -1.07 0.00 0.00 179.97 179.85 3bdm h VAL 94 N 0.88 1.27 -0.21 2.04 2.07 -1.16 -2.64 116.25 118.50 3bdm h VAL 94 Ca 0.23 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 3bdm h VAL 94 Cb 0.06 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3bdm h VAL 94 CO -0.03 0.42 -0.01 -0.08 0.02 0.00 0.00 177.57 177.89 3bdm h GLU 95 N 0.78 0.31 -0.02 1.57 4.57 -0.98 -0.30 114.58 120.51 3bdm h GLU 95 Ca 0.13 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3bdm h GLU 95 Cb 0.64 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3bdm h GLU 95 CO 0.04 0.35 0.01 0.00 -1.18 0.00 0.00 179.01 178.23 3bdm h ALA 96 N 1.69 0.03 -0.35 2.92 0.00 -0.77 -0.14 119.26 122.63 3bdm h ALA 96 Ca 0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3bdm h ALA 96 Cb 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3bdm h ALA 96 CO 0.01 -0.42 -0.09 1.96 0.00 0.00 0.00 179.25 180.70 3bdm h GLN 97 N -0.08 0.68 -0.40 0.00 1.08 -1.21 -2.73 115.11 112.46 3bdm h GLN 97 Ca 0.01 -0.26 0.04 0.00 -1.45 0.00 0.00 58.65 56.98 3bdm h GLN 97 Cb 0.11 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.46 3bdm h GLN 97 CO -0.00 0.85 0.17 1.03 -0.95 0.00 0.00 178.83 179.93 3bdm h SER 98 N 0.47 0.23 -0.72 1.46 0.87 -0.98 -1.54 113.55 113.34 3bdm h SER 98 Ca 0.09 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3bdm h SER 98 Cb 0.60 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.52 3bdm h SER 98 CO 0.04 0.17 0.47 -0.74 -0.53 0.00 0.00 176.83 176.24 3bdm h HIS 99 N 0.36 0.90 0.42 2.24 -0.00 -0.96 -0.24 115.15 117.87 3bdm h HIS 99 Ca 0.18 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.55 3bdm h HIS 99 Cb 0.12 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.23 3bdm h HIS 99 CO -0.12 0.56 -0.20 0.00 -0.00 0.00 0.00 177.93 178.17 3bdm h ARG 100 N 0.96 -0.55 -0.22 5.26 3.08 -1.13 0.06 114.38 121.85 3bdm h ARG 100 Ca 0.26 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.41 3bdm h ARG 100 Cb -0.10 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.00 3bdm h ARG 100 CO -0.06 -0.29 -0.26 1.25 -1.07 0.00 0.00 179.97 179.54 3bdm h LEU 101 N -0.71 -0.84 -0.05 3.04 5.85 -0.80 1.50 115.31 123.29 3bdm h LEU 101 Ca -0.06 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3bdm h LEU 101 Cb 0.51 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3bdm h LEU 101 CO 0.10 -0.30 -0.23 0.71 -0.34 0.00 0.00 178.44 178.38 3bdm h THR 102 N -0.28 0.40 -0.00 1.05 1.35 -1.08 -3.34 112.91 111.00 3bdm h THR 102 Ca 0.13 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 3bdm h THR 102 Cb 0.48 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3bdm h THR 102 CO -0.39 0.22 -0.12 0.18 -0.25 0.00 0.00 175.52 175.16 3bdm n LEU 103 N -3.16 0.63 -3.58 3.87 7.99 0.01 -5.02 117.00 117.73 3bdm n LEU 103 Ca 0.03 -0.68 -0.26 0.00 -0.01 0.00 0.00 56.01 55.09 3bdm n LEU 103 Cb 0.61 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.96 3bdm n LEU 103 CO 0.37 0.14 -0.03 -0.62 -1.51 0.00 0.00 177.39 175.73 3bdm n GLU 104 N -0.60 -1.36 0.00 3.23 1.02 0.51 -4.99 120.64 118.46 3bdm n GLU 104 Ca 0.01 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 3bdm n GLU 104 Cb 0.08 -4.32 0.00 0.00 -0.02 0.00 0.00 31.44 27.19 3bdm n GLU 104 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3bdm n ASP 105 N -2.63 0.00 -4.75 1.62 4.64 -1.20 -5.05 116.55 109.18 3bdm n ASP 105 Ca -0.10 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 52.90 3bdm n ASP 105 Cb 0.59 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.68 3bdm n ASP 105 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3bdm n PRO 106 N 0.00 2.40 -1.49 -0.67 -0.04 -1.26 -4.04 135.00 129.89 3bdm n PRO 106 Ca 0.00 0.84 -0.39 0.00 -0.04 0.00 0.00 63.50 63.92 3bdm n PRO 106 Cb 0.00 -2.56 0.03 0.00 -0.04 0.00 0.00 33.50 30.93 3bdm n PRO 106 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3bdm n VAL 107 N 0.21 2.38 -2.52 0.52 0.24 -1.26 -4.69 118.33 113.20 3bdm n VAL 107 Ca 0.03 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.34 61.57 3bdm n VAL 107 Cb 0.39 -0.75 0.02 0.00 -1.47 0.00 0.00 33.84 32.03 3bdm n VAL 107 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3bdm s THR 108 N -1.64 4.03 0.17 3.34 -4.23 -1.26 -4.69 115.64 111.36 3bdm s THR 108 Ca 0.69 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.11 3bdm s THR 108 Cb -0.47 -3.57 0.03 0.00 1.34 0.00 0.00 72.50 69.84 3bdm s THR 108 CO 0.54 -0.56 1.59 0.58 -0.54 0.00 0.00 174.62 176.24 3bdm h VAL 109 N -0.01 1.27 -0.77 2.29 2.07 -1.92 -1.64 116.25 117.54 3bdm h VAL 109 Ca -0.46 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.77 3bdm h VAL 109 Cb 1.24 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 3bdm h VAL 109 CO 0.60 0.45 0.47 -0.08 0.02 0.00 0.00 177.57 179.04 3bdm h GLU 110 N 0.90 1.04 0.22 1.57 4.22 -1.96 -1.85 114.58 118.72 3bdm h GLU 110 Ca 0.14 -0.09 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 3bdm h GLU 110 Cb 0.70 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3bdm h GLU 110 CO 0.05 0.73 -0.11 -0.92 -2.18 0.00 0.00 179.01 176.59 3bdm h TYR 111 N 1.05 -0.28 -0.68 0.92 3.20 -1.91 -1.15 116.97 118.13 3bdm h TYR 111 Ca 0.28 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.28 3bdm h TYR 111 Cb -0.04 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3bdm h TYR 111 CO -0.01 0.07 0.46 1.25 -1.64 0.00 0.00 178.16 178.30 3bdm h LEU 112 N -0.69 0.30 0.10 2.82 7.12 -1.27 -0.26 115.31 123.43 3bdm h LEU 112 Ca -0.03 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 57.99 3bdm h LEU 112 Cb 0.48 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.56 3bdm h LEU 112 CO 0.05 0.16 -0.05 0.74 -0.13 0.00 0.00 178.44 179.21 3bdm h THR 113 N 0.32 1.13 -0.43 1.05 2.02 -1.21 -2.63 112.91 113.16 3bdm h THR 113 Ca 0.33 -1.03 0.09 0.00 0.77 0.00 0.00 66.41 66.58 3bdm h THR 113 Cb 0.84 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 3bdm h THR 113 CO -0.09 0.24 0.30 -0.09 0.37 0.00 0.00 175.52 176.26 3bdm h ARG 114 N -0.63 0.16 0.01 6.66 2.43 -0.08 0.01 114.38 122.93 3bdm h ARG 114 Ca -0.01 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3bdm h ARG 114 Cb 0.50 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3bdm h ARG 114 CO 0.02 0.10 -0.00 -0.92 -1.51 0.00 0.00 179.97 177.66 3bdm h TYR 115 N 0.16 -0.01 -1.00 2.20 3.20 -1.04 -1.80 116.97 118.68 3bdm h TYR 115 Ca 0.20 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.08 3bdm h TYR 115 Cb 0.59 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 3bdm h TYR 115 CO -0.00 0.42 0.66 0.28 -1.64 0.00 0.00 178.16 177.88 3bdm h VAL 116 N -0.44 1.26 -0.58 1.81 2.07 -0.94 -1.79 116.25 117.64 3bdm h VAL 116 Ca -0.00 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3bdm h VAL 116 Cb 0.43 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 3bdm h VAL 116 CO 0.00 0.25 0.28 0.00 0.02 0.00 0.00 177.57 178.12 3bdm h ALA 117 N 1.37 0.75 -0.53 1.67 0.00 -1.00 -2.49 119.26 119.03 3bdm h ALA 117 Ca 0.37 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3bdm h ALA 117 Cb -0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 3bdm h ALA 117 CO -0.08 0.31 0.29 0.78 0.00 0.00 0.00 179.25 180.55 3bdm h GLY 118 N 0.79 0.75 0.58 0.00 0.00 -0.51 0.12 103.07 104.80 3bdm h GLY 118 Ca 0.20 -0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.38 3bdm h GLY 118 CO -0.03 0.15 0.19 -2.08 0.00 0.00 0.00 176.54 174.77 3bdm h VAL 119 N 0.56 0.86 -0.02 4.60 2.07 -1.10 0.14 116.25 123.37 3bdm h VAL 119 Ca 0.23 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 3bdm h VAL 119 Cb 0.10 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3bdm h VAL 119 CO -0.14 0.07 0.01 1.56 0.02 0.00 0.00 177.57 179.09 3bdm h GLN 120 N 0.38 0.02 -0.97 1.57 4.20 -0.93 -1.92 115.11 117.46 3bdm h GLN 120 Ca 0.23 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 59.00 3bdm h GLN 120 Cb 0.22 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 3bdm h GLN 120 CO -0.22 0.13 0.62 0.37 -0.67 0.00 0.00 178.83 179.07 3bdm h GLN 121 N -0.09 1.11 -0.66 1.46 -0.00 -0.27 -1.66 115.11 114.99 3bdm h GLN 121 Ca 0.01 -0.07 0.01 0.00 -0.00 0.00 0.00 58.65 58.60 3bdm h GLN 121 Cb 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 27.48 27.31 3bdm h GLN 121 CO -0.00 0.73 0.43 -0.09 0.00 0.00 0.00 178.83 179.90 3bdm h ARG 122 N 1.14 0.85 0.00 1.69 2.43 -0.41 -1.03 114.38 119.05 3bdm h ARG 122 Ca 0.42 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 3bdm h ARG 122 Cb 0.15 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3bdm h ARG 122 CO -0.17 0.56 0.00 0.66 -1.51 0.00 0.00 179.97 179.51 3bdm n TYR 123 N -4.64 0.00 0.52 2.20 4.02 -0.63 -2.06 117.16 116.57 3bdm n TYR 123 Ca 0.06 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.01 3bdm n TYR 123 Cb 0.03 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.37 3bdm n TYR 123 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3bdm n THR 124 N -0.71 0.00 -2.64 -0.72 -2.24 -0.39 -3.47 114.28 104.10 3bdm n THR 124 Ca 0.05 -0.43 -0.01 0.00 -2.27 0.00 0.00 64.05 61.39 3bdm n THR 124 Cb 0.02 1.19 0.05 0.00 -2.10 0.00 0.00 70.33 69.49 3bdm n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bdm n GLN 125 N 0.17 1.13 -4.38 -0.78 10.64 -0.88 -4.70 117.38 118.59 3bdm n GLN 125 Ca 0.06 -2.36 -0.30 0.00 -1.83 0.00 0.00 57.00 52.57 3bdm n GLN 125 Cb 0.28 -0.55 -0.17 0.00 -0.86 0.00 0.00 30.24 28.94 3bdm n GLN 125 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 3bdm s SER 126 N -2.47 2.66 0.71 2.61 0.01 -1.15 -5.07 113.70 111.00 3bdm s SER 126 Ca 0.21 -0.49 -0.16 0.00 1.31 0.00 0.00 55.95 56.82 3bdm s SER 126 Cb 0.33 -1.20 0.03 0.00 0.21 0.00 0.00 66.02 65.39 3bdm s SER 126 CO -0.08 0.01 1.26 0.61 0.41 0.00 0.00 173.24 175.45 3bdm n GLY 127 N 4.34 0.34 2.80 3.44 0.00 -1.26 -3.54 105.19 111.30 3bdm n GLY 127 Ca -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3bdm n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdm n GLY 128 N 0.78 0.88 3.01 -0.02 0.00 0.42 -4.77 105.19 105.49 3bdm n GLY 128 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 3bdm n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bdm s VAL 129 N -3.55 0.29 0.22 1.61 -7.23 -1.23 -4.91 120.40 105.60 3bdm s VAL 129 Ca 0.00 -0.90 -0.01 0.00 -1.81 0.00 0.00 61.98 59.26 3bdm s VAL 129 Cb 0.00 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 3bdm s VAL 129 CO 0.00 -0.40 0.42 0.00 -0.31 0.00 0.00 175.10 174.81 3bdm s ARG 130 N -1.37 3.54 1.00 4.82 1.70 -1.26 -4.69 118.95 122.68 3bdm s ARG 130 Ca -0.12 -0.28 -0.12 0.00 -0.47 0.00 0.00 55.73 54.74 3bdm s ARG 130 Cb -0.09 -2.80 0.19 0.00 -0.57 0.00 0.00 34.95 31.67 3bdm s ARG 130 CO -0.00 0.37 1.08 -2.14 -1.08 0.00 0.00 175.30 173.53 3bdm s PRO 131 N -3.37 0.40 -0.07 3.89 0.02 -1.23 -4.91 135.00 129.74 3bdm s PRO 131 Ca 0.39 0.99 -0.30 0.00 0.02 0.00 0.00 61.00 62.10 3bdm s PRO 131 Cb -0.11 -1.70 -0.02 0.00 0.02 0.00 0.00 34.50 32.69 3bdm s PRO 131 CO 0.29 -2.87 1.02 -0.06 -0.33 0.00 0.00 177.00 175.05 3bdm s PHE 132 N -2.70 3.52 -1.38 6.54 0.40 -1.26 -4.93 117.98 118.17 3bdm s PHE 132 Ca 0.66 1.58 -0.08 0.00 -0.60 0.00 0.00 56.93 58.49 3bdm s PHE 132 Cb -0.22 -3.20 -0.05 0.00 0.51 0.00 0.00 43.02 40.07 3bdm s PHE 132 CO 0.60 -0.30 2.87 0.41 0.70 0.00 0.00 175.22 179.49 3bdm n GLY 133 N 3.07 4.40 3.24 4.36 0.00 -1.26 -4.50 105.19 114.50 3bdm n GLY 133 Ca 0.08 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 3bdm n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 134 N 1.06 0.05 0.02 1.61 1.01 -1.26 0.24 120.40 123.13 3bdm s VAL 134 Ca 0.65 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.25 3bdm s VAL 134 Cb 0.20 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 3bdm s VAL 134 CO -0.07 -0.23 -0.13 -0.44 0.00 0.00 0.00 175.10 174.23 3bdm s SER 135 N -1.19 1.51 0.16 3.32 0.01 -0.59 -3.25 113.70 113.67 3bdm s SER 135 Ca -0.12 -0.38 0.06 0.00 1.31 0.00 0.00 55.95 56.81 3bdm s SER 135 Cb -0.05 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 3bdm s SER 135 CO 0.04 0.05 -0.12 0.42 0.41 0.00 0.00 173.24 174.04 3bdm s THR 136 N -0.69 1.37 -0.15 1.44 -4.23 -0.11 -1.59 115.64 111.67 3bdm s THR 136 Ca 0.02 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 3bdm s THR 136 Cb -0.07 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 71.95 3bdm s THR 136 CO 0.01 -0.64 -0.17 -0.76 -0.54 0.00 0.00 174.62 172.51 3bdm s LEU 137 N -3.07 1.90 -0.13 4.79 1.43 -0.10 -0.95 118.68 122.55 3bdm s LEU 137 Ca 0.17 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3bdm s LEU 137 Cb 0.00 -1.30 0.01 0.00 0.03 0.00 0.00 46.19 44.93 3bdm s LEU 137 CO 0.03 -0.00 -0.20 -0.63 0.23 0.00 0.00 176.35 175.77 3bdm s ILE 138 N 1.24 1.92 0.08 -0.59 1.01 0.13 -1.24 121.20 123.74 3bdm s ILE 138 Ca 0.01 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.77 3bdm s ILE 138 Cb -0.14 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3bdm s ILE 138 CO -0.08 0.52 -0.05 0.00 0.00 0.00 0.00 174.94 175.32 3bdm s ALA 139 N 0.85 0.77 0.00 9.38 0.00 -0.85 -0.36 121.76 131.56 3bdm s ALA 139 Ca -0.07 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3bdm s ALA 139 Cb -0.15 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3bdm s ALA 139 CO -0.02 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3bdm n GLY 140 N 0.14 -0.91 3.19 0.00 0.00 -0.71 -1.13 105.19 105.77 3bdm n GLY 140 Ca -0.14 -1.31 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 3bdm n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bdm s PHE 141 N -2.88 1.82 1.06 1.61 0.08 -1.19 -1.08 117.98 117.40 3bdm s PHE 141 Ca 0.00 -0.41 -0.12 0.00 0.12 0.00 0.00 56.93 56.52 3bdm s PHE 141 Cb 0.00 -1.19 0.22 0.00 -0.57 0.00 0.00 43.02 41.48 3bdm s PHE 141 CO 0.00 -0.08 1.07 -0.51 -0.10 0.00 0.00 175.22 175.60 3bdm s ASP 142 N -0.32 1.91 0.17 1.36 1.01 -1.26 -4.80 116.67 114.75 3bdm s ASP 142 Ca 0.04 1.62 -0.31 0.00 0.71 0.00 0.00 52.55 54.60 3bdm s ASP 142 Cb -0.09 -2.29 -0.10 0.00 1.01 0.00 0.00 42.92 41.45 3bdm s ASP 142 CO 0.00 -3.64 1.52 -2.84 0.21 0.00 0.00 175.17 170.43 3bdm s PRO 143 N -4.62 4.24 -1.28 8.23 0.02 -1.26 -2.92 135.00 137.41 3bdm s PRO 143 Ca 0.67 2.31 -0.00 0.00 0.02 0.00 0.00 61.00 64.00 3bdm s PRO 143 Cb -0.23 -3.16 -0.00 0.00 0.02 0.00 0.00 34.50 31.13 3bdm s PRO 143 CO 0.61 -0.55 0.78 0.54 -0.33 0.00 0.00 177.00 178.05 3bdm n ARG 14 N 3.69 -5.32 -3.71 5.54 1.74 -1.26 -5.00 116.66 112.34 3bdm n ARG 14 Ca 0.12 0.68 -0.14 0.00 -0.77 0.00 0.00 57.85 57.74 3bdm n ARG 14 Cb 0.39 -5.35 -0.08 0.00 -1.02 0.00 0.00 32.46 26.40 3bdm n ARG 14 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bdm s ASP 144 N -4.36 -0.34 -0.00 0.55 3.68 -1.15 -5.08 116.67 109.98 3bdm s ASP 144 Ca 0.00 0.38 0.10 0.00 2.13 0.00 0.00 52.55 55.16 3bdm s ASP 144 Cb -0.00 0.48 -0.12 0.00 -1.45 0.00 0.00 42.92 41.83 3bdm s ASP 144 CO 0.79 -0.42 0.38 -0.90 0.13 0.00 0.00 175.17 175.16 3bdm n ASP 14 N 1.54 0.88 -4.65 -0.34 3.85 -1.26 -4.48 116.55 112.09 3bdm n ASP 14 Ca -0.19 -0.59 -0.43 0.00 -0.71 0.00 0.00 54.79 52.87 3bdm n ASP 14 Cb 0.56 1.09 -0.02 0.00 -1.35 0.00 0.00 41.12 41.40 3bdm n ASP 14 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 3bdm s GLU 145 N -2.08 4.12 0.60 0.11 2.12 -1.26 -4.76 118.70 117.54 3bdm s GLU 145 Ca 0.02 1.71 -0.20 0.00 0.36 0.00 0.00 54.97 56.86 3bdm s GLU 145 Cb 0.07 -3.86 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 3bdm s GLU 145 CO 0.41 -0.88 1.33 -1.25 -0.54 0.00 0.00 175.26 174.34 3bdm s PRO 146 N 3.87 2.84 -0.07 4.30 0.04 -1.26 -4.63 135.00 140.09 3bdm s PRO 146 Ca 0.61 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.85 3bdm s PRO 146 Cb -0.24 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.26 3bdm s PRO 146 CO 0.21 -1.41 -0.16 0.15 0.04 0.00 0.00 177.00 175.83 3bdm s LYS 147 N -3.14 2.10 -0.05 4.56 -0.14 -0.24 -5.01 119.74 117.82 3bdm s LYS 147 Ca 0.77 -0.58 -0.00 0.00 -1.36 0.00 0.00 55.97 54.80 3bdm s LYS 147 Cb -0.39 -1.69 0.03 0.00 -1.68 0.00 0.00 37.83 34.10 3bdm s LYS 147 CO 0.44 0.11 0.00 -1.17 -0.76 0.00 0.00 175.35 173.97 3bdm s LEU 148 N 0.46 0.85 0.10 3.17 2.96 -1.26 -1.74 118.68 123.22 3bdm s LEU 148 Ca -0.14 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 3bdm s LEU 148 Cb -0.16 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.16 3bdm s LEU 148 CO 0.05 -0.15 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.54 3bdm s TYR 149 N 1.50 1.00 -0.00 5.38 2.02 0.52 -1.78 117.35 125.98 3bdm s TYR 149 Ca -0.03 -0.76 0.02 0.00 -0.37 0.00 0.00 57.07 55.93 3bdm s TYR 149 Cb -0.13 -0.55 -0.00 0.00 -0.40 0.00 0.00 41.96 40.87 3bdm s TYR 149 CO -0.03 -0.05 -0.06 -1.14 -1.57 0.00 0.00 175.55 172.71 3bdm s GLN 150 N -3.26 0.45 0.13 -0.62 0.74 -0.22 -0.69 119.66 116.18 3bdm s GLN 150 Ca 0.09 -0.22 0.05 0.00 0.05 0.00 0.00 55.36 55.33 3bdm s GLN 150 Cb 0.01 -0.43 -0.04 0.00 1.10 0.00 0.00 33.01 33.65 3bdm s GLN 150 CO -0.02 0.12 -0.12 0.95 -0.55 0.00 0.00 175.29 175.67 3bdm s THR 151 N -0.17 1.20 0.14 -0.34 -4.23 -0.12 -2.20 115.64 109.93 3bdm s THR 151 Ca 0.02 -1.82 -0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3bdm s THR 151 Cb -0.02 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 72.17 3bdm s THR 151 CO -0.00 -0.56 0.05 -1.83 -0.54 0.00 0.00 174.62 171.74 3bdm s GLU 152 N -3.07 0.98 0.33 3.99 -1.05 -0.91 -0.93 118.70 118.03 3bdm s GLU 152 Ca 0.11 -1.47 0.12 0.00 -0.15 0.00 0.00 54.97 53.57 3bdm s GLU 152 Cb -0.02 0.14 1.01 0.00 -0.44 0.00 0.00 34.13 34.83 3bdm s GLU 152 CO 0.02 -0.24 1.64 -1.35 0.95 0.00 0.00 175.26 176.27 3bdm h PRO 153 N 2.81 0.21 -0.08 -4.83 0.11 -1.78 0.33 132.00 128.77 3bdm h PRO 153 Ca -0.35 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.77 3bdm h PRO 153 Cb 1.20 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3bdm h PRO 153 CO 0.59 0.14 0.11 0.66 -0.21 0.00 0.00 178.00 179.29 3bdm h SER 154 N 0.21 0.00 0.00 -2.05 4.64 -1.90 -3.38 113.55 111.07 3bdm h SER 154 Ca 0.70 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 3bdm h SER 154 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 3bdm h SER 154 CO -0.67 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.90 3bdm n GLY 155 N -1.32 0.74 3.84 -0.77 0.00 0.11 -4.39 105.19 103.40 3bdm n GLY 155 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3bdm n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdm s ILE 156 N -2.00 4.54 0.12 -0.61 -1.09 -1.25 -4.63 121.20 116.28 3bdm s ILE 156 Ca 0.00 1.20 -0.17 0.00 -2.23 0.00 0.00 60.65 59.45 3bdm s ILE 156 Cb 0.00 -3.62 0.04 0.00 -1.58 0.00 0.00 42.46 37.29 3bdm s ILE 156 CO 0.00 -0.32 0.42 -0.72 -1.23 0.00 0.00 174.94 173.09 3bdm s TYR 157 N -2.16 -0.24 0.08 3.97 1.13 -1.26 -2.15 117.35 116.73 3bdm s TYR 157 Ca 0.58 -0.05 -0.27 0.00 -1.41 0.00 0.00 57.07 55.92 3bdm s TYR 157 Cb -0.10 0.28 0.09 0.00 -1.10 0.00 0.00 41.96 41.13 3bdm s TYR 157 CO 0.18 -0.70 1.10 -1.54 -2.51 0.00 0.00 175.55 172.07 3bdm s SER 158 N -2.73 -0.12 0.07 -0.18 1.04 -0.93 -4.99 113.70 105.85 3bdm s SER 158 Ca 0.02 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.17 3bdm s SER 158 Cb 0.01 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 3bdm s SER 158 CO -0.11 -0.65 0.15 -0.94 0.98 0.00 0.00 173.24 172.66 3bdm s SER 159 N -2.97 5.96 0.12 7.02 1.04 -1.26 -1.06 113.70 122.54 3bdm s SER 159 Ca 0.13 0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.74 3bdm s SER 159 Cb 0.01 -1.73 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 3bdm s SER 159 CO -0.00 0.17 -0.10 0.26 0.98 0.00 0.00 173.24 174.55 3bdm s TRP 160 N -1.45 1.13 0.06 5.02 0.52 -0.73 -4.98 118.94 118.50 3bdm s TRP 160 Ca 0.32 -0.73 0.08 0.00 0.02 0.00 0.00 56.10 55.80 3bdm s TRP 160 Cb -0.13 -0.60 -0.22 0.00 -1.15 0.00 0.00 33.47 31.37 3bdm s TRP 160 CO 0.25 0.02 1.04 0.77 0.02 0.00 0.00 176.95 179.05 3bdm h SER 161 N 3.18 0.03 -4.53 2.95 0.02 -1.92 -3.40 113.55 109.89 3bdm h SER 161 Ca -0.37 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.55 3bdm h SER 161 Cb 1.19 -0.01 -0.21 0.00 0.14 0.00 0.00 62.40 63.50 3bdm h SER 161 CO 0.58 1.04 0.37 0.00 -1.14 0.00 0.00 176.83 177.68 3bdm s ALA 162 N -2.66 -1.85 -0.00 3.77 0.00 -1.26 -0.65 121.76 119.11 3bdm s ALA 162 Ca -0.02 1.47 -0.29 0.00 0.00 0.00 0.00 51.96 53.12 3bdm s ALA 162 Cb 0.09 -0.38 0.10 0.00 0.00 0.00 0.00 23.12 22.93 3bdm s ALA 162 CO 0.82 -0.34 0.90 -1.14 0.00 0.00 0.00 175.76 176.00 3bdm s GLN 163 N -1.12 0.82 0.01 0.00 2.00 0.24 -4.98 119.66 116.64 3bdm s GLN 163 Ca -0.06 -0.31 -0.05 0.00 -2.00 0.00 0.00 55.36 52.94 3bdm s GLN 163 Cb -0.00 0.37 -0.01 0.00 0.80 0.00 0.00 33.01 34.17 3bdm s GLN 163 CO 0.06 -0.36 0.08 -0.08 -0.50 0.00 0.00 175.29 174.49 3bdm s THR 164 N -3.11 0.10 0.04 -0.34 -1.32 -1.26 -0.88 115.64 108.87 3bdm s THR 164 Ca 0.05 -0.83 -0.02 0.00 -1.21 0.00 0.00 61.69 59.69 3bdm s THR 164 Cb -0.01 -0.46 -0.03 0.00 -1.51 0.00 0.00 72.50 70.49 3bdm s THR 164 CO -0.09 -0.45 0.00 0.27 -2.21 0.00 0.00 174.62 172.14 3bdm s ILE 165 N -1.61 0.17 0.00 5.08 -4.36 -0.15 -4.95 121.20 115.39 3bdm s ILE 165 Ca -0.14 -1.43 0.00 0.00 -0.26 0.00 0.00 60.65 58.82 3bdm s ILE 165 Cb -0.07 -1.10 0.00 0.00 1.25 0.00 0.00 42.46 42.54 3bdm s ILE 165 CO -0.00 -0.79 0.00 0.61 0.24 0.00 0.00 174.94 175.00 3bdm n GLY 166 N 0.57 -0.67 3.74 6.27 0.00 -1.26 -0.31 105.19 113.53 3bdm n GLY 166 Ca -0.17 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 3bdm n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bdm s ARG 167 N 0.00 4.37 -1.11 1.61 1.70 -0.61 -2.35 118.95 122.55 3bdm s ARG 167 Ca 0.00 2.10 0.00 0.00 -0.47 0.00 0.00 55.73 57.36 3bdm s ARG 167 Cb 0.00 -3.18 0.00 0.00 -0.57 0.00 0.00 34.95 31.20 3bdm s ARG 167 CO 0.00 -0.28 0.00 0.09 -1.08 0.00 0.00 175.30 174.03 3bdm n ASN 168 N 2.55 -4.80 0.28 -2.89 5.03 -1.26 -4.48 115.26 109.70 3bdm n ASN 168 Ca 0.06 0.26 0.15 0.00 0.87 0.00 0.00 54.58 55.92 3bdm n ASN 168 Cb 0.42 -3.22 0.84 0.00 -1.02 0.00 0.00 39.78 36.81 3bdm n ASN 168 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3bdm h SER 169 N 0.00 0.00 -0.38 6.41 4.64 -1.78 -1.04 113.55 121.40 3bdm h SER 169 Ca -0.21 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.13 3bdm h SER 169 Cb 0.86 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.92 3bdm h SER 169 CO 0.31 0.06 0.21 0.50 -0.87 0.00 0.00 176.83 177.04 3bdm h LYS 170 N 0.00 0.41 0.00 4.77 1.63 -1.88 -0.25 116.57 121.25 3bdm h LYS 170 Ca -0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3bdm h LYS 170 Cb 0.17 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3bdm h LYS 170 CO 0.01 0.27 0.00 2.41 -3.45 0.00 0.00 179.45 178.69 3bdm n THR 171 N -4.90 0.00 -0.29 1.00 -1.04 -0.42 -2.70 114.28 105.93 3bdm n THR 171 Ca 0.01 1.14 0.34 0.00 -2.04 0.00 0.00 64.05 63.51 3bdm n THR 171 Cb 0.07 -2.12 0.67 0.00 -1.82 0.00 0.00 70.33 67.14 3bdm n THR 171 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 3bdm h VAL 172 N 0.00 0.19 -0.25 12.58 3.04 -1.54 0.51 116.25 130.78 3bdm h VAL 172 Ca 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.59 3bdm h VAL 172 Cb 0.00 0.25 -0.00 0.00 -2.01 0.00 0.00 31.29 29.52 3bdm h VAL 172 CO 0.00 0.00 -0.23 -0.09 -1.01 0.00 0.00 177.57 176.24 3bdm h ARG 173 N 0.00 0.60 -0.36 4.17 2.43 -1.03 -1.64 114.38 118.55 3bdm h ARG 173 Ca 0.55 -0.31 0.04 0.00 -0.81 0.00 0.00 59.98 59.45 3bdm h ARG 173 Cb 2.57 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 32.08 3bdm h ARG 173 CO -0.01 0.90 0.12 0.93 -1.51 0.00 0.00 179.97 180.41 3bdm h GLU 174 N 0.32 0.26 -0.16 0.20 3.07 0.22 0.38 114.58 118.87 3bdm h GLU 174 Ca 0.04 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.94 3bdm h GLU 174 Cb 0.78 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.58 3bdm h GLU 174 CO 0.06 0.18 -0.22 0.35 -1.40 0.00 0.00 179.01 177.97 3bdm h PHE 175 N 0.27 -0.59 -0.70 4.33 3.57 -1.24 -2.33 116.94 120.25 3bdm h PHE 175 Ca 0.17 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3bdm h PHE 175 Cb 0.15 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 3bdm h PHE 175 CO -0.15 -0.30 0.17 -0.07 -2.23 0.00 0.00 178.31 175.73 3bdm h LEU 176 N -0.27 1.06 -2.45 0.59 3.38 -0.65 -2.50 115.31 114.46 3bdm h LEU 176 Ca 0.11 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3bdm h LEU 176 Cb 0.43 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3bdm h LEU 176 CO -0.31 1.02 0.08 -0.33 0.09 0.00 0.00 178.44 178.98 3bdm h GLU 177 N 1.05 0.00 -1.02 1.13 5.08 0.24 -1.66 114.58 119.40 3bdm h GLU 177 Ca 0.22 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.04 3bdm h GLU 177 Cb 0.37 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.20 3bdm h GLU 177 CO 0.00 0.00 -0.82 0.36 -1.00 0.00 0.00 179.01 177.55 3bdm n LYS 178 N -3.67 3.34 0.00 2.33 2.85 -0.93 -4.57 118.16 117.50 3bdm n LYS 178 Ca -0.01 -4.22 0.00 0.00 -1.05 0.00 0.00 58.31 53.03 3bdm n LYS 178 Cb 0.17 -2.19 0.00 0.00 -0.65 0.00 0.00 35.03 32.36 3bdm n LYS 178 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3bdm n ASN 179 N -0.60 0.00 -4.05 -5.58 3.02 -0.80 -4.98 115.26 102.28 3bdm n ASN 179 Ca 0.39 -0.78 -0.28 0.00 -0.03 0.00 0.00 54.58 53.88 3bdm n ASN 179 Cb 0.84 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.85 3bdm n ASN 179 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3bdm s TYR 180 N 0.00 1.91 -0.27 3.10 6.14 -0.69 -5.01 117.35 122.54 3bdm s TYR 180 Ca 0.00 -0.89 -0.02 0.00 0.64 0.00 0.00 57.07 56.80 3bdm s TYR 180 Cb 0.00 -1.39 0.03 0.00 0.42 0.00 0.00 41.96 41.02 3bdm s TYR 180 CO 0.00 -0.46 -0.02 0.34 0.64 0.00 0.00 175.55 176.05 3bdm s ASP 18 N 0.98 4.59 0.45 4.32 3.68 -1.26 -4.90 116.67 124.52 3bdm s ASP 18 Ca -0.07 -0.97 0.15 0.00 2.13 0.00 0.00 52.55 53.79 3bdm s ASP 18 Cb -0.15 -1.71 1.08 0.00 -1.45 0.00 0.00 42.92 40.70 3bdm s ASP 18 CO -0.01 -0.18 1.99 0.03 0.13 0.00 0.00 175.17 177.13 3bdm h ARG 18 N 8.04 0.33 -0.21 4.34 3.08 -1.99 -0.98 114.38 126.99 3bdm h ARG 18 Ca -0.29 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.79 3bdm h ARG 18 Cb 1.10 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.02 3bdm h ARG 18 CO 0.57 0.22 -0.11 0.87 -1.07 0.00 0.00 179.97 180.45 3bdm h LYS 18 N 0.34 -0.08 -2.89 0.04 1.79 -2.05 -3.34 116.57 110.38 3bdm h LYS 18 Ca 0.26 0.01 -0.61 0.00 -2.18 0.00 0.00 60.65 58.13 3bdm h LYS 18 Cb 0.56 0.02 -0.40 0.00 -1.58 0.00 0.00 32.23 30.83 3bdm h LYS 18 CO -0.06 -0.06 -0.76 -2.00 -1.08 0.00 0.00 179.45 175.50 3bdm s GLU 18 N -6.18 1.36 0.67 3.15 2.12 -0.40 -5.12 118.70 114.30 3bdm s GLU 18 Ca -0.14 -2.18 -0.14 0.00 0.36 0.00 0.00 54.97 52.88 3bdm s GLU 18 Cb 0.11 -2.30 0.01 0.00 0.26 0.00 0.00 34.13 32.21 3bdm s GLU 18 CO 0.69 -1.21 1.10 -2.14 -0.54 0.00 0.00 175.26 173.15 3bdm s PRO 182 N 0.09 2.77 -0.35 4.30 0.02 -1.00 -4.45 135.00 136.37 3bdm s PRO 182 Ca 0.21 1.31 -0.09 0.00 0.02 0.00 0.00 61.00 62.45 3bdm s PRO 182 Cb -0.17 -1.95 -0.08 0.00 0.02 0.00 0.00 34.50 32.32 3bdm s PRO 182 CO -0.05 -1.27 1.37 -2.30 -0.33 0.00 0.00 177.00 174.42 3bdm n PRO 183 N -2.61 0.03 0.00 5.54 -0.02 -1.26 -4.61 135.00 132.07 3bdm n PRO 183 Ca 0.10 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 3bdm n PRO 183 Cb 0.52 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3bdm n PRO 183 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bdm n ALA 184 N 9.47 0.54 -2.58 3.55 0.00 -1.26 -3.60 120.51 126.63 3bdm n ALA 184 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.35 3bdm n ALA 184 Cb 0.49 -0.46 -0.13 0.00 0.00 0.00 0.00 19.45 19.35 3bdm n ALA 184 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3bdm s THR 185 N -2.13 1.49 0.20 0.00 2.01 -1.26 -4.71 115.64 111.23 3bdm s THR 185 Ca 0.00 -1.34 -0.11 0.00 0.31 0.00 0.00 61.69 60.55 3bdm s THR 185 Cb 0.00 -1.35 0.12 0.00 0.01 0.00 0.00 72.50 71.28 3bdm s THR 185 CO 0.00 -0.03 1.81 0.58 -0.69 0.00 0.00 174.62 176.29 3bdm h VAL 186 N 4.24 0.99 0.70 3.82 2.07 -1.96 -0.30 116.25 125.80 3bdm h VAL 186 Ca -0.43 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3bdm h VAL 186 Cb 1.18 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3bdm h VAL 186 CO 0.41 0.12 -0.43 -0.08 0.02 0.00 0.00 177.57 177.61 3bdm h GLU 187 N 0.65 -1.03 0.00 1.57 4.81 -1.94 -0.86 114.58 117.79 3bdm h GLU 187 Ca 0.27 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3bdm h GLU 187 Cb 0.14 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3bdm h GLU 187 CO -0.16 -0.68 0.00 -0.85 -0.73 0.00 0.00 179.01 176.59 3bdm n GLU 188 N -5.57 0.18 0.07 1.92 0.28 -1.13 -1.64 120.64 114.75 3bdm n GLU 188 Ca -0.14 0.45 -0.13 0.00 -0.16 0.00 0.00 57.16 57.18 3bdm n GLU 188 Cb 0.45 -1.88 -0.14 0.00 1.43 0.00 0.00 31.44 31.31 3bdm n GLU 188 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3bdm h VAL 190 N 0.05 1.41 0.11 0.00 2.07 -0.39 -3.13 116.25 116.37 3bdm h VAL 190 Ca -0.14 -2.16 -0.01 0.00 0.82 0.00 0.00 66.70 65.22 3bdm h VAL 190 Cb 1.93 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.83 3bdm h VAL 190 CO 0.17 0.64 -0.05 0.50 0.02 0.00 0.00 177.57 178.84 3bdm h LYS 191 N 0.19 -0.14 -0.46 1.57 3.64 -1.32 -1.88 116.57 118.18 3bdm h LYS 191 Ca -0.02 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.50 3bdm h LYS 191 Cb 1.25 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 3bdm h LYS 191 CO 0.11 0.19 0.36 1.25 -2.27 0.00 0.00 179.45 179.09 3bdm h LEU 192 N -0.48 0.00 0.06 5.20 5.85 -1.49 0.18 115.31 124.64 3bdm h LEU 192 Ca -0.01 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.43 3bdm h LEU 192 Cb 0.39 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.44 3bdm h LEU 192 CO 0.02 0.00 -1.10 0.74 -0.34 0.00 0.00 178.44 177.76 3bdm h THR 193 N 0.00 1.30 -0.20 1.05 2.02 -1.44 -2.24 112.91 113.40 3bdm h THR 193 Ca 0.22 -2.34 -0.14 0.00 0.77 0.00 0.00 66.41 64.91 3bdm h THR 193 Cb 0.93 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 3bdm h THR 193 CO -0.00 0.71 -0.44 0.58 0.37 0.00 0.00 175.52 176.74 3bdm h VAL 194 N 0.28 1.32 -0.09 3.16 2.07 -0.40 -2.12 116.25 120.47 3bdm h VAL 194 Ca -0.16 -1.67 0.04 0.00 0.82 0.00 0.00 66.70 65.74 3bdm h VAL 194 Cb 1.78 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 33.36 3bdm h VAL 194 CO 0.21 0.52 -0.24 0.03 0.02 0.00 0.00 177.57 178.12 3bdm h ARG 195 N 0.34 -0.31 -0.68 1.57 3.08 -0.76 0.86 114.38 118.46 3bdm h ARG 195 Ca 0.00 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.13 3bdm h ARG 195 Cb 1.05 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.12 3bdm h ARG 195 CO 0.10 -0.21 0.45 0.66 -1.07 0.00 0.00 179.97 179.90 3bdm h SER 196 N -0.32 0.63 0.33 7.04 4.64 -1.35 -2.17 113.55 122.34 3bdm h SER 196 Ca 0.09 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.19 3bdm h SER 196 Cb 0.45 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3bdm h SER 196 CO -0.28 0.41 -0.90 -0.07 -0.87 0.00 0.00 176.83 175.13 3bdm h LEU 197 N 0.72 0.52 -2.39 5.97 3.38 -0.66 -3.15 115.31 119.71 3bdm h LEU 197 Ca 0.29 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3bdm h LEU 197 Cb 0.23 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3bdm h LEU 197 CO -0.09 1.19 -0.03 -0.07 0.09 0.00 0.00 178.44 179.53 3bdm h LEU 198 N 0.24 0.00 -2.77 1.67 3.38 -0.20 0.63 115.31 118.26 3bdm h LEU 198 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3bdm h LEU 198 Cb 1.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 3bdm h LEU 198 CO 0.16 0.03 0.01 -0.33 0.09 0.00 0.00 178.44 178.40 3bdm h GLU 199 N 0.00 0.00 0.00 1.13 4.39 -1.46 -3.27 114.58 115.37 3bdm h GLU 199 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3bdm h GLU 199 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3bdm h GLU 199 CO 0.00 0.00 -0.53 0.28 -1.16 0.00 0.00 179.01 177.60 3bdm n VAL 200 N -3.36 0.00 0.29 3.13 0.31 0.02 -4.79 118.33 113.93 3bdm n VAL 200 Ca -0.03 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.45 3bdm n VAL 200 Cb 0.09 -0.35 0.86 0.00 -0.91 0.00 0.00 33.84 33.53 3bdm n VAL 200 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3bdm h VAL 201 N 0.00 0.48 -5.69 2.52 2.07 0.10 -3.47 116.25 112.26 3bdm h VAL 201 Ca 0.00 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 3bdm h VAL 201 Cb 0.41 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3bdm h VAL 201 CO 0.00 0.05 -0.86 0.00 0.02 0.00 0.00 177.57 176.79 3bdm n GLN 202 N -3.67 -2.27 -2.90 1.57 1.13 -1.23 -4.33 117.38 105.67 3bdm n GLN 202 Ca -0.02 1.95 0.00 0.00 -1.94 0.00 0.00 57.00 56.99 3bdm n GLN 202 Cb 0.15 -4.14 0.00 0.00 0.11 0.00 0.00 30.24 26.36 3bdm n GLN 202 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3bdm n THR 203 N 0.20 -1.51 -2.97 5.09 -1.04 -1.26 -4.99 114.28 107.80 3bdm n THR 203 Ca 0.03 0.30 -0.12 0.00 -2.04 0.00 0.00 64.05 62.21 3bdm n THR 203 Cb 0.40 -2.58 -0.02 0.00 -1.82 0.00 0.00 70.33 66.31 3bdm n THR 203 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bdm n GLY 206 N 1.63 0.43 0.27 3.41 0.00 -1.26 -4.98 105.19 104.70 3bdm n GLY 206 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 3bdm n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm h ALA 207 N 5.09 0.76 -0.00 4.61 0.00 -1.94 -2.10 119.26 125.69 3bdm h ALA 207 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3bdm h ALA 207 Cb 1.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3bdm h ALA 207 CO 0.16 0.45 -0.29 0.36 0.00 0.00 0.00 179.25 179.93 3bdm n LYS 208 N -4.40 0.16 -0.05 0.00 -0.00 -1.26 -3.50 118.16 109.11 3bdm n LYS 208 Ca 0.03 -0.07 0.12 0.00 -0.00 0.00 0.00 58.31 58.39 3bdm n LYS 208 Cb 0.22 -1.50 0.36 0.00 -0.00 0.00 0.00 35.03 34.11 3bdm n LYS 208 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3bdm n ASN 209 N -1.36 2.10 -4.16 -5.58 3.02 -0.83 -4.87 115.26 103.58 3bdm n ASN 209 Ca 0.08 -1.72 -0.28 0.00 -0.03 0.00 0.00 54.58 52.63 3bdm n ASN 209 Cb 0.33 -0.06 -0.16 0.00 -0.61 0.00 0.00 39.78 39.27 3bdm n ASN 209 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bdm s ILE 210 N -1.87 1.59 -0.04 2.41 1.01 -0.93 -0.11 121.20 123.25 3bdm s ILE 210 Ca 0.34 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.22 3bdm s ILE 210 Cb 0.20 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 41.31 3bdm s ILE 210 CO 0.30 0.45 -0.12 -1.83 0.00 0.00 0.00 174.94 173.75 3bdm s GLU 211 N 0.07 1.38 0.23 2.79 -1.05 -0.88 -4.92 118.70 116.32 3bdm s GLU 211 Ca -0.06 -0.39 0.09 0.00 -0.15 0.00 0.00 54.97 54.47 3bdm s GLU 211 Cb -0.13 -1.21 -0.04 0.00 -0.44 0.00 0.00 34.13 32.31 3bdm s GLU 211 CO 0.03 0.10 -0.05 0.42 0.95 0.00 0.00 175.26 176.71 3bdm s ILE 212 N 0.38 3.30 -0.17 1.83 -1.09 -1.26 -2.05 121.20 122.14 3bdm s ILE 212 Ca -0.08 -1.84 -0.07 0.00 -2.23 0.00 0.00 60.65 56.43 3bdm s ILE 212 Cb -0.12 -2.71 0.07 0.00 -1.58 0.00 0.00 42.46 38.12 3bdm s ILE 212 CO 0.02 -0.27 0.37 -0.89 -1.23 0.00 0.00 174.94 172.94 3bdm s THR 213 N -2.10 -0.39 -0.15 2.92 2.01 -0.53 -2.22 115.64 115.19 3bdm s THR 213 Ca 0.29 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.42 3bdm s THR 213 Cb -0.07 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 3bdm s THR 213 CO 0.18 0.07 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.47 3bdm s VAL 214 N 2.15 4.08 -0.17 3.82 1.01 0.27 -1.29 120.40 130.27 3bdm s VAL 214 Ca -0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 3bdm s VAL 214 Cb -0.11 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 3bdm s VAL 214 CO -0.12 0.50 -0.14 0.54 0.00 0.00 0.00 175.10 175.88 3bdm s VAL 215 N 0.23 2.73 0.29 2.92 0.11 -0.25 -1.80 120.40 124.63 3bdm s VAL 215 Ca -0.01 -0.74 0.10 0.00 -2.93 0.00 0.00 61.98 58.40 3bdm s VAL 215 Cb -0.14 -2.17 -0.05 0.00 -1.53 0.00 0.00 36.38 32.50 3bdm s VAL 215 CO 0.02 0.50 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.74 3bdm s LYS 216 N 0.94 2.15 0.65 1.54 1.02 0.73 -1.89 119.74 124.89 3bdm s LYS 216 Ca -0.03 -1.56 -0.17 0.00 0.02 0.00 0.00 55.97 54.23 3bdm s LYS 216 Cb -0.15 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 3bdm s LYS 216 CO -0.02 0.28 0.87 -2.30 -0.92 0.00 0.00 175.35 173.27 3bdm n PRO 217 N -0.89 0.66 -2.83 -1.68 -0.02 -1.26 -2.60 135.00 126.38 3bdm n PRO 217 Ca -0.05 0.27 -0.11 0.00 -2.02 0.00 0.00 63.50 61.58 3bdm n PRO 217 Cb 0.60 -2.10 0.05 0.00 -0.02 0.00 0.00 33.50 32.03 3bdm n PRO 217 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3bdm n ASP 218 N -0.90 -5.14 -4.05 2.55 10.43 -1.26 -3.96 116.55 114.21 3bdm n ASP 218 Ca 0.13 -0.52 -0.28 0.00 2.57 0.00 0.00 54.79 56.69 3bdm n ASP 218 Cb 0.48 -4.01 -0.04 0.00 1.84 0.00 0.00 41.12 39.40 3bdm n ASP 218 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3bdm n SER 219 N -2.77 -0.22 -4.00 -2.24 7.64 -1.25 -4.92 113.62 105.86 3bdm n SER 219 Ca -0.07 -1.09 -0.34 0.00 1.01 0.00 0.00 58.87 58.37 3bdm n SER 219 Cb 0.59 -2.60 -0.07 0.00 -1.01 0.00 0.00 64.21 61.12 3bdm n SER 219 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3bdm n ASP 220 N -2.92 4.12 -4.59 6.43 4.64 -1.07 -4.90 116.55 118.25 3bdm n ASP 220 Ca -0.30 -3.20 -0.34 0.00 -1.38 0.00 0.00 54.79 49.57 3bdm n ASP 220 Cb 0.68 -0.98 -0.11 0.00 -1.04 0.00 0.00 41.12 39.67 3bdm n ASP 220 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3bdm s ILE 221 N -1.61 3.88 -0.13 5.18 1.01 -1.26 -0.19 121.20 128.08 3bdm s ILE 221 Ca 0.29 -0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 3bdm s ILE 221 Cb -0.04 -2.62 0.05 0.00 0.01 0.00 0.00 42.46 39.86 3bdm s ILE 221 CO -0.11 0.58 0.51 0.54 0.00 0.00 0.00 174.94 176.46 3bdm s VAL 222 N -0.58 0.01 -0.28 2.92 0.11 -0.74 -5.02 120.40 116.82 3bdm s VAL 222 Ca 0.09 -0.10 -0.04 0.00 -2.93 0.00 0.00 61.98 59.00 3bdm s VAL 222 Cb -0.12 -0.76 0.02 0.00 -1.53 0.00 0.00 36.38 33.99 3bdm s VAL 222 CO 0.02 -0.05 0.02 0.00 -3.33 0.00 0.00 175.10 171.75 3bdm s ALA 223 N -0.34 2.90 0.60 1.54 0.00 -1.26 -0.57 121.76 124.62 3bdm s ALA 223 Ca -0.05 -1.48 -0.19 0.00 0.00 0.00 0.00 51.96 50.25 3bdm s ALA 223 Cb -0.03 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 3bdm s ALA 223 CO 0.03 -0.90 1.04 1.28 0.00 0.00 0.00 175.76 177.22 3bdm n LEU 224 N 4.77 4.10 -4.97 0.00 4.32 -0.94 -4.97 117.00 119.31 3bdm n LEU 224 Ca -0.15 0.83 -0.21 0.00 -0.02 0.00 0.00 56.01 56.46 3bdm n LEU 224 Cb 0.47 -1.42 0.02 0.00 -1.62 0.00 0.00 43.42 40.87 3bdm n LEU 224 CO 0.29 -1.62 0.28 -0.94 -1.22 0.00 0.00 177.39 174.18 3bdm s SER 225 N -1.21 5.60 0.27 -1.43 1.04 -1.26 -4.51 113.70 112.20 3bdm s SER 225 Ca 0.76 0.05 -0.06 0.00 0.48 0.00 0.00 55.95 57.18 3bdm s SER 225 Cb -0.42 -1.15 0.50 0.00 0.10 0.00 0.00 66.02 65.05 3bdm s SER 225 CO 0.47 -0.86 1.59 0.28 0.98 0.00 0.00 173.24 175.69 3bdm h SER 226 N 0.33 -0.61 0.16 7.02 0.02 -1.91 -1.93 113.55 116.63 3bdm h SER 226 Ca -0.44 0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3bdm h SER 226 Cb 1.27 0.48 -0.01 0.00 0.14 0.00 0.00 62.40 64.29 3bdm h SER 226 CO 0.54 -0.28 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.44 3bdm h GLU 227 N 0.03 -0.33 -1.12 3.45 3.07 -1.95 2.66 114.58 120.40 3bdm h GLU 227 Ca 0.47 0.02 0.34 0.00 -0.50 0.00 0.00 59.36 59.69 3bdm h GLU 227 Cb 0.82 0.07 -0.12 0.00 -0.84 0.00 0.00 28.75 28.68 3bdm h GLU 227 CO -0.85 -0.22 0.69 0.93 -1.40 0.00 0.00 179.01 178.16 3bdm h GLU 228 N -0.34 0.27 0.09 2.33 5.08 -1.85 0.66 114.58 120.82 3bdm h GLU 228 Ca -0.02 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3bdm h GLU 228 Cb 0.30 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3bdm h GLU 228 CO -0.03 0.18 -0.04 0.82 -1.00 0.00 0.00 179.01 178.93 3bdm h ILE 229 N 0.28 0.68 -0.98 3.13 2.04 -0.77 -3.14 117.51 118.76 3bdm h ILE 229 Ca 0.71 -1.31 0.30 0.00 1.00 0.00 0.00 64.86 65.56 3bdm h ILE 229 Cb 1.88 1.23 -0.15 0.00 -0.74 0.00 0.00 36.82 39.05 3bdm h ILE 229 CO -0.43 0.21 0.52 -1.13 0.00 0.00 0.00 178.15 177.32 3bdm h ASN 230 N -0.97 0.46 0.07 1.72 -1.24 0.69 0.43 115.58 116.74 3bdm h ASN 230 Ca -0.01 0.19 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 3bdm h ASN 230 Cb 0.44 0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.63 3bdm h ASN 230 CO 0.02 -0.11 -0.03 1.56 -1.29 0.00 0.00 177.43 177.58 3bdm h GLN 231 N 0.34 -0.09 -0.99 6.67 4.20 0.12 -0.46 115.11 124.91 3bdm h GLN 231 Ca 0.70 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.54 3bdm h GLN 231 Cb 1.54 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 29.25 3bdm h GLN 231 CO -0.60 -0.05 0.62 1.88 -0.67 0.00 0.00 178.83 180.01 3bdm h TYR 232 N -0.09 1.09 -0.09 2.96 -1.99 -0.14 -1.19 116.97 117.52 3bdm h TYR 232 Ca -0.01 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 3bdm h TYR 232 Cb 0.07 -0.35 -0.00 0.00 2.00 0.00 0.00 36.73 38.45 3bdm h TYR 232 CO -0.07 0.42 0.04 0.28 -0.00 0.00 0.00 178.16 178.83 3bdm h VAL 233 N 0.94 1.14 0.07 -2.88 2.07 -0.60 -2.29 116.25 114.70 3bdm h VAL 233 Ca 0.49 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3bdm h VAL 233 Cb 0.54 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 3bdm h VAL 233 CO -0.26 0.12 -0.34 0.74 0.02 0.00 0.00 177.57 177.85 3bdm h THR 234 N -0.01 0.28 -0.68 2.57 2.02 -0.00 -1.47 112.91 115.61 3bdm h THR 234 Ca 0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.30 3bdm h THR 234 Cb 0.16 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 3bdm h THR 234 CO -0.00 0.00 0.45 -0.61 0.37 0.00 0.00 175.52 175.73 3bdm h GLN 235 N -0.54 0.54 -0.14 6.66 4.15 -1.24 -2.23 115.11 122.31 3bdm h GLN 235 Ca 0.04 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.26 3bdm h GLN 235 Cb 0.59 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 3bdm h GLN 235 CO -0.23 0.36 -0.63 0.82 -1.93 0.00 0.00 178.83 177.22 3bdm h ILE 236 N 0.56 1.34 0.00 2.39 2.04 -0.78 -3.07 117.51 119.99 3bdm h ILE 236 Ca 0.31 -1.93 -0.04 0.00 1.00 0.00 0.00 64.86 64.20 3bdm h ILE 236 Cb 0.48 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 3bdm h ILE 236 CO -0.10 0.59 -0.20 -0.33 0.00 0.00 0.00 178.15 178.11 3bdm h GLU 237 N 0.37 0.00 -0.00 2.37 5.08 -0.67 -2.02 114.58 119.71 3bdm h GLU 237 Ca -0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 3bdm h GLU 237 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3bdm h GLU 237 CO 0.11 0.20 -0.86 1.96 -1.00 0.00 0.00 179.01 179.42 3bdm h GLN 238 N 0.00 0.19 -0.80 2.33 4.20 -1.45 -2.78 115.11 116.80 3bdm h GLN 238 Ca -0.00 -0.20 0.09 0.00 0.06 0.00 0.00 58.65 58.60 3bdm h GLN 238 Cb 0.51 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 3bdm h GLN 238 CO 0.03 0.94 0.45 0.93 -0.67 0.00 0.00 178.83 180.50 3bdm h GLU 239 N 0.11 0.73 0.28 1.46 4.39 -1.27 0.33 114.58 120.60 3bdm h GLU 239 Ca -0.04 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3bdm h GLU 239 Cb 1.48 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3bdm h GLU 239 CO 0.13 0.48 -0.13 0.87 -1.16 0.00 0.00 179.01 179.20 3bdm h LYS 240 N 0.75 -0.36 -0.98 2.33 1.57 -1.51 -3.31 116.57 115.08 3bdm h LYS 240 Ca 0.39 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.25 3bdm h LYS 240 Cb 0.36 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.69 3bdm h LYS 240 CO -0.25 -0.01 0.63 1.96 -0.57 0.00 0.00 179.45 181.21 3bdm h GLN 241 N -0.85 1.13 -2.44 3.15 4.20 -1.24 -3.00 115.11 116.05 3bdm h GLN 241 Ca -0.04 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 3bdm h GLN 241 Cb 0.51 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3bdm h GLN 241 CO 0.06 0.75 0.11 0.39 -0.67 0.00 0.00 178.83 179.46 3bdm n GLU 242 N -4.51 0.70 0.00 1.46 1.02 0.11 -5.09 120.64 114.33 3bdm n GLU 242 Ca 0.15 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 3bdm n GLU 242 Cb 0.17 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 3bdm n GLU 242 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25