#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm n GLY 7 N 0.00 -0.77 0.57 0.00 0.00 -1.26 -3.03 105.19 100.70 3bdm n GLY 7 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3bdm n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3bdm n TYR 8 N -0.58 0.32 1.57 1.61 4.01 -1.26 -3.63 117.16 119.20 3bdm n TYR 8 Ca 0.03 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 3bdm n TYR 8 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3bdm n TYR 8 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3bdm n ASP 9 N 0.36 0.08 0.00 7.72 5.75 -1.17 -1.61 116.55 127.68 3bdm n ASP 9 Ca 0.14 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 3bdm n ASP 9 Cb 0.30 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 3bdm n ASP 9 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3bdm n ARG 10 N -0.45 1.87 -0.02 0.11 1.74 -1.24 -4.45 116.66 114.22 3bdm n ARG 10 Ca 0.00 -1.19 -0.02 0.00 -0.77 0.00 0.00 57.85 55.86 3bdm n ARG 10 Cb 0.02 -0.97 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 3bdm n ARG 10 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3bdm n HIS 11 N -0.35 0.00 -4.60 -1.55 8.25 -0.63 -4.64 115.22 111.70 3bdm n HIS 11 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 3bdm n HIS 11 Cb 0.20 -0.21 -0.10 0.00 1.12 0.00 0.00 29.99 31.00 3bdm n HIS 11 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3bdm s ILE 12 N -2.11 1.68 -1.39 1.59 -4.36 -1.19 -4.97 121.20 110.45 3bdm s ILE 12 Ca -0.03 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.26 3bdm s ILE 12 Cb 0.01 -2.82 0.09 0.00 1.25 0.00 0.00 42.46 40.99 3bdm s ILE 12 CO 0.17 0.00 2.23 0.35 0.24 0.00 0.00 174.94 177.92 3bdm n THR 13 N -0.95 4.25 -4.50 8.37 -2.24 -1.26 -4.66 114.28 113.28 3bdm n THR 13 Ca -0.06 -3.73 -0.24 0.00 -2.27 0.00 0.00 64.05 57.75 3bdm n THR 13 Cb 0.67 -2.42 -0.11 0.00 -2.10 0.00 0.00 70.33 66.38 3bdm n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3bdm s ILE 14 N 1.16 1.83 0.42 2.28 -4.36 -1.26 -4.66 121.20 116.61 3bdm s ILE 14 Ca 0.49 -2.11 -0.25 0.00 -0.26 0.00 0.00 60.65 58.52 3bdm s ILE 14 Cb 0.14 -2.67 -0.08 0.00 1.25 0.00 0.00 42.46 41.10 3bdm s ILE 14 CO -0.05 -0.17 1.20 -0.36 0.24 0.00 0.00 174.94 175.80 3bdm s PHE 15 N -2.87 2.95 0.30 1.37 0.08 -1.26 -4.64 117.98 113.90 3bdm s PHE 15 Ca 0.32 1.52 0.06 0.00 0.12 0.00 0.00 56.93 58.95 3bdm s PHE 15 Cb 0.05 -3.45 -0.02 0.00 -0.57 0.00 0.00 43.02 39.04 3bdm s PHE 15 CO 0.15 -1.54 0.43 -1.54 -0.10 0.00 0.00 175.22 172.61 3bdm s SER 16 N -1.13 6.11 0.54 1.36 1.04 -0.43 -4.89 113.70 116.30 3bdm s SER 16 Ca 0.59 -0.09 0.33 0.00 0.48 0.00 0.00 55.95 57.27 3bdm s SER 16 Cb -0.32 -1.48 1.50 0.00 0.10 0.00 0.00 66.02 65.83 3bdm s SER 16 CO 0.39 -0.29 1.86 -0.65 0.98 0.00 0.00 173.24 175.53 3bdm h PRO 17 N 1.00 0.00 -0.00 4.02 0.11 -1.97 0.58 132.00 135.74 3bdm h PRO 17 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3bdm h PRO 17 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3bdm h PRO 17 CO 0.56 0.00 -0.02 0.39 -0.21 0.00 0.00 178.00 178.72 3bdm n GLU 18 N -4.20 0.33 -1.49 1.05 4.71 -1.26 -4.88 120.64 114.89 3bdm n GLU 18 Ca 0.20 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.33 3bdm n GLU 18 Cb 1.03 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.97 3bdm n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3bdm n GLY 19 N 1.34 0.83 3.58 0.62 0.00 0.20 -5.07 105.19 106.70 3bdm n GLY 19 Ca 0.12 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 3bdm n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bdm s ARG 20 N -3.23 2.09 -0.52 1.61 0.52 -1.25 -4.83 118.95 113.33 3bdm s ARG 20 Ca 0.00 -1.47 0.04 0.00 -0.52 0.00 0.00 55.73 53.78 3bdm s ARG 20 Cb 0.00 -2.06 0.13 0.00 0.52 0.00 0.00 34.95 33.54 3bdm s ARG 20 CO 0.00 0.37 0.27 -0.51 0.02 0.00 0.00 175.30 175.45 3bdm s LEU 21 N -3.43 4.34 0.24 2.53 1.43 -1.26 -1.31 118.68 121.21 3bdm s LEU 21 Ca 0.29 -3.02 -0.05 0.00 -1.03 0.00 0.00 54.13 50.32 3bdm s LEU 21 Cb -0.07 -1.65 0.44 0.00 0.03 0.00 0.00 46.19 44.95 3bdm s LEU 21 CO 0.18 -0.23 1.71 1.88 0.23 0.00 0.00 176.35 180.11 3bdm h TYR 22 N 6.49 0.39 -0.65 0.29 0.05 -1.84 -1.20 116.97 120.49 3bdm h TYR 22 Ca -0.08 0.04 0.11 0.00 0.05 0.00 0.00 58.73 58.85 3bdm h TYR 22 Cb 0.89 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 38.53 3bdm h TYR 22 CO 0.53 -0.01 0.44 1.96 -1.05 0.00 0.00 178.16 180.03 3bdm h GLN 23 N 0.35 0.42 -0.43 4.88 1.08 -1.83 0.31 115.11 119.90 3bdm h GLN 23 Ca 0.40 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.46 3bdm h GLN 23 Cb 0.65 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 3bdm h GLN 23 CO -0.44 0.28 -0.20 0.28 -0.95 0.00 0.00 178.83 177.79 3bdm h VAL 24 N 0.43 1.28 -0.26 -0.54 2.07 -1.60 -1.81 116.25 115.82 3bdm h VAL 24 Ca 0.31 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 3bdm h VAL 24 Cb 0.62 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3bdm h VAL 24 CO -0.09 0.46 0.04 -0.33 0.02 0.00 0.00 177.57 177.67 3bdm h GLU 25 N 0.73 0.44 0.00 1.57 5.08 -0.66 -1.99 114.58 119.75 3bdm h GLU 25 Ca 0.10 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3bdm h GLU 25 Cb 0.77 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3bdm h GLU 25 CO 0.06 0.56 -0.15 1.88 -1.00 0.00 0.00 179.01 180.36 3bdm h TYR 26 N 0.25 0.00 -0.25 4.33 0.05 -0.45 -1.68 116.97 119.22 3bdm h TYR 26 Ca 0.08 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.78 3bdm h TYR 26 Cb 0.33 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 3bdm h TYR 26 CO 0.02 0.15 -0.15 0.00 -1.05 0.00 0.00 178.16 177.12 3bdm h ALA 27 N 1.85 0.35 -0.99 3.88 0.00 -0.87 -2.48 119.26 121.00 3bdm h ALA 27 Ca -0.00 -0.33 0.14 0.00 0.00 0.00 0.00 54.91 54.72 3bdm h ALA 27 Cb 0.32 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 3bdm h ALA 27 CO 0.02 0.24 0.62 0.74 0.00 0.00 0.00 179.25 180.88 3bdm h PHE 28 N 0.25 1.09 -0.97 0.00 0.04 -0.60 -0.16 116.94 116.60 3bdm h PHE 28 Ca 0.05 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.88 3bdm h PHE 28 Cb 0.68 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 3bdm h PHE 28 CO 0.07 0.39 0.64 -0.22 -0.60 0.00 0.00 178.31 178.59 3bdm h LYS 29 N 0.91 1.22 0.00 1.51 1.63 -0.96 -1.88 116.57 119.00 3bdm h LYS 29 Ca 0.51 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 3bdm h LYS 29 Cb 0.60 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 3bdm h LYS 29 CO -0.28 0.80 0.00 0.00 -3.45 0.00 0.00 179.45 176.53 3bdm h ALA 30 N 1.42 1.00 -0.31 5.00 0.00 -0.71 -3.05 119.26 122.62 3bdm h ALA 30 Ca 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 3bdm h ALA 30 Cb -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3bdm h ALA 30 CO -0.10 0.00 0.00 1.79 0.00 0.00 0.00 179.25 180.94 3bdm h THR 31 N 0.00 1.18 -0.01 0.00 1.35 -1.17 -1.74 112.91 112.52 3bdm h THR 31 Ca 0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3bdm h THR 31 Cb 0.40 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3bdm h THR 31 CO 0.00 0.25 0.00 0.59 -0.25 0.00 0.00 175.52 176.11 3bdm n ASN 32 N -4.30 0.21 -0.17 5.36 3.02 -1.15 -3.15 115.26 115.07 3bdm n ASN 32 Ca 0.01 -1.18 0.20 0.00 -0.03 0.00 0.00 54.58 53.58 3bdm n ASN 32 Cb 0.23 -0.00 0.57 0.00 -0.61 0.00 0.00 39.78 39.97 3bdm n ASN 32 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3bdm h GLN 33 N 0.31 0.27 0.00 3.52 4.15 -1.46 -1.22 115.11 120.69 3bdm h GLN 33 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3bdm h GLN 33 Cb 0.07 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3bdm h GLN 33 CO 0.00 0.18 0.00 1.79 -1.93 0.00 0.00 178.83 178.87 3bdm h THR 34 N 0.28 0.00 -5.89 2.39 1.35 -1.81 -3.48 112.91 105.76 3bdm h THR 34 Ca 0.40 -0.50 -0.39 0.00 -0.55 0.00 0.00 66.41 65.38 3bdm h THR 34 Cb 1.15 1.46 0.11 0.00 -1.73 0.00 0.00 68.15 69.14 3bdm h THR 34 CO -0.11 0.00 -0.77 -3.20 -0.25 0.00 0.00 175.52 171.19 3bdm n ASN 34 N -2.36 -2.84 -4.09 5.36 4.05 -0.46 -4.99 115.26 109.93 3bdm n ASN 34 Ca 0.05 -0.68 -0.22 0.00 0.45 0.00 0.00 54.58 54.18 3bdm n ASN 34 Cb 0.41 -4.65 -0.15 0.00 1.23 0.00 0.00 39.78 36.62 3bdm n ASN 34 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3bdm s ILE 35 N -3.44 1.04 0.21 -1.44 -1.09 -1.26 -4.99 121.20 110.23 3bdm s ILE 35 Ca 0.18 -0.56 0.07 0.00 -2.23 0.00 0.00 60.65 58.11 3bdm s ILE 35 Cb -0.08 -0.87 -0.04 0.00 -1.58 0.00 0.00 42.46 39.89 3bdm s ILE 35 CO 0.77 0.30 0.09 0.20 -1.23 0.00 0.00 174.94 175.06 3bdm s ASN 36 N -0.26 5.13 0.07 3.58 0.01 -1.26 -4.35 114.94 117.86 3bdm s ASN 36 Ca 0.04 -0.34 -0.11 0.00 -0.71 0.00 0.00 52.86 51.74 3bdm s ASN 36 Cb -0.06 -1.20 0.01 0.00 0.41 0.00 0.00 41.25 40.42 3bdm s ASN 36 CO -0.00 0.03 0.25 -0.94 -1.51 0.00 0.00 177.10 174.93 3bdm s SER 37 N -3.39 -0.01 0.02 -1.22 1.04 0.26 -1.49 113.70 108.91 3bdm s SER 37 Ca 0.31 -0.43 -0.22 0.00 0.48 0.00 0.00 55.95 56.09 3bdm s SER 37 Cb -0.08 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.44 3bdm s SER 37 CO 0.22 -0.69 0.49 -1.48 0.98 0.00 0.00 173.24 172.76 3bdm s LEU 38 N -2.50 0.07 0.02 2.42 0.05 0.51 -0.69 118.68 118.56 3bdm s LEU 38 Ca 0.00 0.22 0.02 0.00 0.05 0.00 0.00 54.13 54.43 3bdm s LEU 38 Cb 0.02 1.98 -0.01 0.00 -2.05 0.00 0.00 46.19 46.12 3bdm s LEU 38 CO -0.08 -0.64 -0.07 0.00 -0.55 0.00 0.00 176.35 175.01 3bdm s ALA 39 N -2.03 0.56 0.07 1.48 0.00 0.51 0.32 121.76 122.67 3bdm s ALA 39 Ca -0.08 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3bdm s ALA 39 Cb -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3bdm s ALA 39 CO 0.01 0.06 -0.05 0.14 0.00 0.00 0.00 175.76 175.92 3bdm s VAL 40 N -0.72 0.47 -0.17 0.00 -7.23 -0.43 -1.32 120.40 111.01 3bdm s VAL 40 Ca -0.03 -1.63 -0.07 0.00 -1.81 0.00 0.00 61.98 58.44 3bdm s VAL 40 Cb -0.06 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 3bdm s VAL 40 CO 0.00 -0.77 0.06 -0.13 -0.31 0.00 0.00 175.10 173.94 3bdm s ARG 41 N -3.17 3.87 0.00 4.82 0.52 -1.23 -1.77 118.95 122.00 3bdm s ARG 41 Ca 0.03 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 3bdm s ARG 41 Cb 0.01 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.32 3bdm s ARG 41 CO -0.05 0.33 0.00 0.41 0.02 0.00 0.00 175.30 176.01 3bdm n GLY 42 N 3.36 0.16 0.09 -3.53 0.00 0.21 0.05 105.19 105.53 3bdm n GLY 42 Ca -0.17 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 3bdm n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3bdm h LYS 43 N 0.00 0.15 -0.08 1.61 3.64 -1.88 -3.39 116.57 116.61 3bdm h LYS 43 Ca 0.00 -0.25 -0.20 0.00 -1.27 0.00 0.00 60.65 58.93 3bdm h LYS 43 Cb 0.00 0.09 -0.18 0.00 -0.41 0.00 0.00 32.23 31.73 3bdm h LYS 43 CO 0.00 1.08 -0.41 -0.40 -2.27 0.00 0.00 179.45 177.46 3bdm n ASP 44 N -3.42 -1.26 -3.50 4.20 3.85 -1.26 -4.86 116.55 110.29 3bdm n ASP 44 Ca -0.06 -2.31 -0.11 0.00 -0.71 0.00 0.00 54.79 51.59 3bdm n ASP 44 Cb 0.99 0.66 -0.03 0.00 -1.35 0.00 0.00 41.12 41.39 3bdm n ASP 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3bdm s THR 46 N -2.62 1.21 0.00 0.00 2.01 0.23 0.67 115.64 117.14 3bdm s THR 46 Ca 0.00 -0.59 0.08 0.00 0.31 0.00 0.00 61.69 61.49 3bdm s THR 46 Cb -0.01 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 3bdm s THR 46 CO -0.05 0.36 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.30 3bdm s VAL 47 N 0.11 1.94 -0.09 3.82 1.01 -0.73 -0.22 120.40 126.25 3bdm s VAL 47 Ca -0.04 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.82 3bdm s VAL 47 Cb -0.11 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.66 3bdm s VAL 47 CO 0.02 0.47 -0.13 0.68 0.00 0.00 0.00 175.10 176.14 3bdm s VAL 48 N -0.64 1.25 -0.04 2.92 -7.23 -0.48 -1.31 120.40 114.87 3bdm s VAL 48 Ca 0.10 -0.51 0.02 0.00 -1.81 0.00 0.00 61.98 59.78 3bdm s VAL 48 Cb -0.09 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 3bdm s VAL 48 CO 0.00 0.39 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.47 3bdm s ILE 49 N 0.97 3.55 -0.12 -0.62 -1.09 0.15 -1.42 121.20 122.62 3bdm s ILE 49 Ca -0.08 -0.63 -0.13 0.00 -2.23 0.00 0.00 60.65 57.58 3bdm s ILE 49 Cb -0.15 -2.47 0.03 0.00 -1.58 0.00 0.00 42.46 38.30 3bdm s ILE 49 CO -0.00 0.53 0.37 -0.55 -1.23 0.00 0.00 174.94 174.05 3bdm s SER 50 N -0.99 -0.37 0.63 3.58 0.15 -0.67 -0.36 113.70 115.67 3bdm s SER 50 Ca 0.14 0.67 -0.16 0.00 0.70 0.00 0.00 55.95 57.30 3bdm s SER 50 Cb -0.11 0.70 -0.01 0.00 -1.71 0.00 0.00 66.02 64.89 3bdm s SER 50 CO 0.03 -0.17 1.10 -1.10 1.20 0.00 0.00 173.24 174.30 3bdm s GLN 51 N 0.01 2.97 -0.11 5.44 -0.21 -0.55 -1.31 119.66 125.90 3bdm s GLN 51 Ca -0.02 1.37 -0.02 0.00 0.02 0.00 0.00 55.36 56.72 3bdm s GLN 51 Cb -0.03 -1.97 0.04 0.00 1.00 0.00 0.00 33.01 32.05 3bdm s GLN 51 CO 0.01 -1.12 0.02 0.21 -2.12 0.00 0.00 175.29 172.29 3bdm s LYS 52 N -4.01 0.57 -0.48 2.91 2.20 -0.73 -4.77 119.74 115.43 3bdm s LYS 52 Ca 0.67 -0.04 0.04 0.00 -0.36 0.00 0.00 55.97 56.28 3bdm s LYS 52 Cb -0.20 -1.31 0.12 0.00 -1.51 0.00 0.00 37.83 34.93 3bdm s LYS 52 CO 0.39 -0.41 0.22 0.15 -0.36 0.00 0.00 175.35 175.34 3bdm s LYS 53 N 1.96 1.84 -0.77 4.03 1.02 -1.26 -4.37 119.74 122.19 3bdm s LYS 53 Ca 0.03 -2.45 -0.15 0.00 0.02 0.00 0.00 55.97 53.42 3bdm s LYS 53 Cb -0.14 -3.23 0.18 0.00 -0.52 0.00 0.00 37.83 34.13 3bdm s LYS 53 CO -0.06 -1.08 0.75 0.08 -0.92 0.00 0.00 175.35 174.12 3bdm s VAL 54 N -0.04 5.39 -0.07 3.17 1.01 -1.26 -4.91 120.40 123.70 3bdm s VAL 54 Ca 0.16 -2.09 -0.24 0.00 0.00 0.00 0.00 61.98 59.81 3bdm s VAL 54 Cb -0.25 -4.48 -0.20 0.00 0.00 0.00 0.00 36.38 31.46 3bdm s VAL 54 CO -0.02 -1.06 0.97 1.55 0.00 0.00 0.00 175.10 176.55 3bdm h PRO 55 N 8.20 -0.07 -7.06 2.72 0.13 -2.01 -3.46 132.00 130.44 3bdm h PRO 55 Ca 0.01 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.59 3bdm h PRO 55 Cb 1.05 0.02 0.15 0.00 0.13 0.00 0.00 31.00 32.35 3bdm h PRO 55 CO 0.87 0.52 0.59 -3.47 -0.23 0.00 0.00 178.00 176.28 3bdm n ASP 56 N -4.81 2.58 0.05 1.44 -0.08 -1.26 -4.91 116.55 109.55 3bdm n ASP 56 Ca -0.08 0.94 0.11 0.00 -1.51 0.00 0.00 54.79 54.25 3bdm n ASP 56 Cb 0.31 -1.58 0.05 0.00 2.34 0.00 0.00 41.12 42.24 3bdm n ASP 56 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3bdm n LYS 57 N -1.27 0.37 0.00 -0.67 5.02 -1.26 -3.84 118.16 116.51 3bdm n LYS 57 Ca 0.12 0.04 0.14 0.00 -2.02 0.00 0.00 58.31 56.58 3bdm n LYS 57 Cb 0.46 -1.66 0.52 0.00 -0.02 0.00 0.00 35.03 34.32 3bdm n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3bdm n LEU 58 N -2.16 0.34 -4.82 -0.35 4.77 -1.26 -4.87 117.00 108.65 3bdm n LEU 58 Ca 0.02 0.15 -0.33 0.00 -0.03 0.00 0.00 56.01 55.81 3bdm n LEU 58 Cb 0.47 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3bdm n LEU 58 CO 0.39 0.07 0.69 -0.76 -1.33 0.00 0.00 177.39 176.45 3bdm s LEU 59 N -2.77 3.77 -0.75 2.23 1.43 -1.25 -5.00 118.68 116.34 3bdm s LEU 59 Ca 0.20 1.74 -0.14 0.00 -1.03 0.00 0.00 54.13 54.90 3bdm s LEU 59 Cb 0.19 -4.54 0.20 0.00 0.03 0.00 0.00 46.19 42.07 3bdm s LEU 59 CO 0.55 -0.65 0.69 -0.62 0.23 0.00 0.00 176.35 176.55 3bdm s ASP 60 N -2.44 6.55 0.45 2.29 3.68 -1.26 -4.94 116.67 121.00 3bdm s ASP 60 Ca 0.63 -2.50 0.36 0.00 2.13 0.00 0.00 52.55 53.18 3bdm s ASP 60 Cb -0.12 -2.19 1.48 0.00 -1.45 0.00 0.00 42.92 40.63 3bdm s ASP 60 CO 0.23 -0.63 1.46 -2.65 0.13 0.00 0.00 175.17 173.71 3bdm n PRO 61 N 4.23 -0.02 0.28 4.34 -0.02 -1.26 -0.57 135.00 141.98 3bdm n PRO 61 Ca 0.07 1.11 0.15 0.00 -2.02 0.00 0.00 63.50 62.81 3bdm n PRO 61 Cb 0.45 -2.32 0.80 0.00 -0.02 0.00 0.00 33.50 32.41 3bdm n PRO 61 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3bdm h THR 62 N 0.00 0.39 -0.01 3.45 1.35 -2.05 -2.77 112.91 113.27 3bdm h THR 62 Ca 0.84 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 66.25 3bdm h THR 62 Cb 2.97 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 70.71 3bdm h THR 62 CO -0.28 0.08 -0.16 0.35 -0.25 0.00 0.00 175.52 175.26 3bdm n THR 63 N -3.47 0.00 -3.38 6.82 -2.24 0.26 -4.85 114.28 107.41 3bdm n THR 63 Ca -0.02 -0.20 -0.38 0.00 -2.27 0.00 0.00 64.05 61.19 3bdm n THR 63 Cb 0.22 0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 68.91 3bdm n THR 63 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3bdm s VAL 64 N -2.29 5.20 -0.18 2.28 1.01 -1.05 -5.05 120.40 120.33 3bdm s VAL 64 Ca 0.29 0.73 -0.29 0.00 0.00 0.00 0.00 61.98 62.71 3bdm s VAL 64 Cb 0.20 -3.74 0.12 0.00 0.00 0.00 0.00 36.38 32.97 3bdm s VAL 64 CO 0.44 0.26 0.99 -0.55 0.00 0.00 0.00 175.10 176.24 3bdm s SER 65 N 0.98 -0.40 -0.04 3.32 0.15 -1.26 -5.00 113.70 111.44 3bdm s SER 65 Ca 0.20 0.50 0.06 0.00 0.70 0.00 0.00 55.95 57.41 3bdm s SER 65 Cb -0.15 0.42 0.10 0.00 -1.71 0.00 0.00 66.02 64.68 3bdm s SER 65 CO 0.08 -0.32 1.00 -1.22 1.20 0.00 0.00 173.24 173.98 3bdm n TYR 66 N 1.01 0.00 -4.60 3.44 4.02 -1.26 -4.97 117.16 114.79 3bdm n TYR 66 Ca -0.11 -0.58 -0.33 0.00 -0.01 0.00 0.00 57.90 56.86 3bdm n TYR 66 Cb 0.57 -0.08 -0.13 0.00 -0.02 0.00 0.00 39.34 39.69 3bdm n TYR 66 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3bdm s ILE 67 N -1.46 3.49 0.09 -0.72 1.01 -1.26 -0.09 121.20 122.26 3bdm s ILE 67 Ca 0.11 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.32 3bdm s ILE 67 Cb 0.09 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 3bdm s ILE 67 CO 0.01 0.52 -0.20 -0.36 0.00 0.00 0.00 174.94 174.91 3bdm s PHE 68 N 0.20 1.68 -0.49 3.97 0.08 0.27 -4.98 117.98 118.72 3bdm s PHE 68 Ca -0.05 -0.41 -0.13 0.00 0.12 0.00 0.00 56.93 56.46 3bdm s PHE 68 Cb -0.14 -0.94 0.11 0.00 -0.57 0.00 0.00 43.02 41.47 3bdm s PHE 68 CO 0.04 0.16 0.39 0.00 -0.10 0.00 0.00 175.22 175.71 3bdm h ILE 70 N 5.98 1.32 -3.63 0.00 1.08 -1.33 -3.48 117.51 117.45 3bdm h ILE 70 Ca -0.26 -2.04 -0.15 0.00 -0.39 0.00 0.00 64.86 62.02 3bdm h ILE 70 Cb 1.09 2.25 -0.05 0.00 -3.07 0.00 0.00 36.82 37.05 3bdm h ILE 70 CO 0.91 0.62 0.01 -0.94 -0.69 0.00 0.00 178.15 178.06 3bdm s SER 71 N -7.00 0.48 0.43 1.72 1.04 -0.92 -4.62 113.70 104.83 3bdm s SER 71 Ca -0.11 -1.30 0.21 0.00 0.48 0.00 0.00 55.95 55.23 3bdm s SER 71 Cb 0.06 0.74 1.18 0.00 0.10 0.00 0.00 66.02 68.10 3bdm s SER 71 CO 0.88 -1.45 1.82 -0.09 0.98 0.00 0.00 173.24 175.38 3bdm h ARG 72 N 2.07 0.31 0.00 4.02 9.65 -1.94 -2.96 114.38 125.53 3bdm h ARG 72 Ca -0.29 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 3bdm h ARG 72 Cb 1.24 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3bdm h ARG 72 CO 0.39 0.21 -0.71 0.25 2.80 0.00 0.00 179.97 182.90 3bdm n THR 73 N -4.50 0.00 -4.32 0.20 -2.24 -1.26 -1.60 114.28 100.55 3bdm n THR 73 Ca 0.22 -0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.40 3bdm n THR 73 Cb 0.86 0.73 -0.12 0.00 -2.10 0.00 0.00 70.33 69.70 3bdm n THR 73 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3bdm s ILE 74 N -1.96 3.87 0.11 2.28 1.01 -1.12 -4.43 121.20 120.96 3bdm s ILE 74 Ca 0.00 -0.36 0.09 0.00 0.00 0.00 0.00 60.65 60.39 3bdm s ILE 74 Cb 0.05 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 3bdm s ILE 74 CO 0.27 0.48 -0.20 -0.83 0.00 0.00 0.00 174.94 174.65 3bdm s GLY 75 N 0.54 1.64 -0.03 6.18 0.00 -0.66 -0.82 107.32 114.18 3bdm s GLY 75 Ca -0.03 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.36 3bdm s GLY 75 CO 0.03 -1.32 -0.05 -0.29 0.00 0.00 0.00 173.10 171.46 3bdm s MET 76 N -1.99 0.71 -0.10 2.90 0.00 0.21 -1.14 119.30 119.89 3bdm s MET 76 Ca 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 55.69 55.70 3bdm s MET 76 Cb -0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 34.83 34.00 3bdm s MET 76 CO 0.08 0.02 -0.14 0.54 0.00 0.00 0.00 175.02 175.52 3bdm s VAL 77 N 0.46 3.03 -0.14 10.11 0.11 -0.34 0.94 120.40 134.57 3bdm s VAL 77 Ca -0.06 -0.69 -0.03 0.00 -2.93 0.00 0.00 61.98 58.27 3bdm s VAL 77 Cb -0.10 -2.24 -0.03 0.00 -1.53 0.00 0.00 36.38 32.49 3bdm s VAL 77 CO 0.00 0.55 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.58 3bdm s VAL 78 N -0.05 3.80 -0.47 2.04 1.01 0.86 -1.64 120.40 125.96 3bdm s VAL 78 Ca -0.03 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 3bdm s VAL 78 Cb -0.14 -2.65 0.12 0.00 0.00 0.00 0.00 36.38 33.71 3bdm s VAL 78 CO 0.04 0.51 0.33 0.20 0.00 0.00 0.00 175.10 176.18 3bdm s ASN 79 N 0.22 5.61 0.00 3.32 -0.87 -0.71 -4.86 114.94 117.64 3bdm s ASN 79 Ca -0.03 -2.00 0.00 0.00 -1.57 0.00 0.00 52.86 49.26 3bdm s ASN 79 Cb -0.14 -1.97 0.00 0.00 -0.02 0.00 0.00 41.25 39.12 3bdm s ASN 79 CO 0.03 -0.64 0.00 0.61 -2.57 0.00 0.00 177.10 174.53 3bdm n GLY 80 N 4.75 -0.12 3.40 0.66 0.00 -1.19 -2.08 105.19 110.61 3bdm n GLY 80 Ca -0.05 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 3bdm n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bdm n PRO 81 N -1.04 0.04 0.10 1.61 -0.02 -1.24 -4.79 135.00 129.66 3bdm n PRO 81 Ca 0.00 0.05 -0.20 0.00 -2.02 0.00 0.00 63.50 61.34 3bdm n PRO 81 Cb 0.00 -1.75 -0.12 0.00 -0.02 0.00 0.00 33.50 31.60 3bdm n PRO 81 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3bdm h ILE 82 N -0.88 1.36 -0.59 4.25 6.09 -1.98 -2.30 117.51 123.46 3bdm h ILE 82 Ca -0.44 -2.66 -0.01 0.00 -1.37 0.00 0.00 64.86 60.38 3bdm h ILE 82 Cb 1.32 2.78 -0.03 0.00 0.47 0.00 0.00 36.82 41.37 3bdm h ILE 82 CO 0.38 0.80 0.32 1.55 -3.07 0.00 0.00 178.15 178.13 3bdm h PRO 83 N 0.19 0.81 0.00 2.19 0.13 -2.00 0.12 132.00 133.45 3bdm h PRO 83 Ca -0.17 -0.08 -0.13 0.00 -0.87 0.00 0.00 66.00 64.74 3bdm h PRO 83 Cb 1.93 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.87 3bdm h PRO 83 CO 0.23 0.60 -0.63 -0.44 -0.23 0.00 0.00 178.00 177.52 3bdm h ASP 84 N 0.82 0.00 -0.50 1.44 3.45 -1.94 -2.58 116.42 117.12 3bdm h ASP 84 Ca 0.21 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.63 3bdm h ASP 84 Cb 0.02 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.77 3bdm h ASP 84 CO -0.03 0.63 0.16 0.00 -1.57 0.00 0.00 179.24 178.43 3bdm h ALA 85 N 1.37 0.65 -0.12 3.45 0.00 -0.50 -1.70 119.26 122.41 3bdm h ALA 85 Ca -0.01 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 3bdm h ALA 85 Cb 1.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3bdm h ALA 85 CO 0.08 0.31 -0.67 0.00 0.00 0.00 0.00 179.25 178.97 3bdm h ARG 86 N 0.67 0.47 0.43 0.00 3.08 -0.80 -1.18 114.38 117.05 3bdm h ARG 86 Ca 0.16 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 3bdm h ARG 86 Cb 0.27 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3bdm h ARG 86 CO -0.01 0.97 -0.20 -0.97 -1.07 0.00 0.00 179.97 178.69 3bdm h ASN 87 N 0.33 -0.48 -0.66 7.04 -0.00 -1.34 -0.74 115.58 119.73 3bdm h ASN 87 Ca -0.02 -0.01 0.08 0.00 -0.00 0.00 0.00 56.30 56.36 3bdm h ASN 87 Cb 1.23 0.13 -0.07 0.00 -0.00 0.00 0.00 38.32 39.61 3bdm h ASN 87 CO 0.12 -0.31 0.31 0.00 -0.00 0.00 0.00 177.43 177.55 3bdm h ALA 88 N -0.06 0.88 0.12 1.57 0.00 -1.27 -2.16 119.26 118.35 3bdm h ALA 88 Ca -0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3bdm h ALA 88 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3bdm h ALA 88 CO 0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 179.25 179.21 3bdm h ALA 89 N 1.40 -0.17 -0.07 0.00 0.00 -1.00 -1.89 119.26 117.53 3bdm h ALA 89 Ca 0.32 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3bdm h ALA 89 Cb 0.33 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3bdm h ALA 89 CO -0.26 -0.57 -0.25 1.25 0.00 0.00 0.00 179.25 179.42 3bdm h LEU 90 N -0.22 -0.77 -0.98 0.00 5.85 -0.81 -0.48 115.31 117.91 3bdm h LEU 90 Ca -0.02 0.11 0.17 0.00 0.84 0.00 0.00 57.88 58.99 3bdm h LEU 90 Cb 0.17 0.33 -0.10 0.00 0.37 0.00 0.00 40.66 41.43 3bdm h LEU 90 CO 0.03 -0.31 0.58 -0.09 -0.34 0.00 0.00 178.44 178.31 3bdm h ARG 91 N -0.35 0.76 -0.39 1.25 9.65 -1.31 -0.36 114.38 123.62 3bdm h ARG 91 Ca 0.08 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.80 3bdm h ARG 91 Cb 0.47 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 3bdm h ARG 91 CO -0.27 0.50 -0.22 0.00 2.80 0.00 0.00 179.97 182.77 3bdm h ALA 92 N 1.61 0.86 -0.39 2.80 0.00 -0.46 -0.77 119.26 122.91 3bdm h ALA 92 Ca 0.54 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3bdm h ALA 92 Cb 0.78 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3bdm h ALA 92 CO -0.36 0.63 0.05 0.87 0.00 0.00 0.00 179.25 180.45 3bdm h LYS 93 N 0.68 0.65 0.23 0.00 1.57 0.47 -1.03 116.57 119.14 3bdm h LYS 93 Ca 0.09 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3bdm h LYS 93 Cb 0.74 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3bdm h LYS 93 CO 0.06 0.71 -0.11 0.00 -0.57 0.00 0.00 179.45 179.54 3bdm h ALA 94 N 0.91 -0.30 -0.76 3.86 0.00 -1.15 -1.01 119.26 120.81 3bdm h ALA 94 Ca 0.12 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.10 3bdm h ALA 94 Cb 0.38 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3bdm h ALA 94 CO 0.01 -0.60 0.52 0.93 0.00 0.00 0.00 179.25 180.11 3bdm h GLU 95 N -0.44 0.17 0.15 0.00 4.39 -1.04 -0.53 114.58 117.28 3bdm h GLU 95 Ca -0.03 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3bdm h GLU 95 Cb 0.33 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3bdm h GLU 95 CO 0.05 0.12 -0.07 0.00 -1.16 0.00 0.00 179.01 177.95 3bdm h ALA 96 N 1.64 -0.20 0.20 3.43 0.00 -0.45 -2.22 119.26 121.66 3bdm h ALA 96 Ca 0.37 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3bdm h ALA 96 Cb 1.19 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3bdm h ALA 96 CO -0.07 -0.39 -0.14 0.00 0.00 0.00 0.00 179.25 178.66 3bdm h ALA 97 N 0.09 -0.31 -0.64 0.00 0.00 -0.48 -2.60 119.26 115.32 3bdm h ALA 97 Ca -0.02 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3bdm h ALA 97 Cb 0.48 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 3bdm h ALA 97 CO 0.03 -0.69 0.33 1.49 0.00 0.00 0.00 179.25 180.42 3bdm h GLU 98 N -0.33 0.59 -0.95 0.00 4.81 -1.21 -1.24 114.58 116.25 3bdm h GLU 98 Ca -0.01 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3bdm h GLU 98 Cb 0.29 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 3bdm h GLU 98 CO 0.00 0.39 0.61 0.35 -0.73 0.00 0.00 179.01 179.64 3bdm h PHE 99 N 0.61 1.15 -0.03 0.92 3.04 -1.22 -0.37 116.94 121.03 3bdm h PHE 99 Ca 0.29 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.27 3bdm h PHE 99 Cb 0.22 -0.38 -0.00 0.00 2.56 0.00 0.00 35.95 38.35 3bdm h PHE 99 CO -0.10 0.64 0.01 -0.09 -2.02 0.00 0.00 178.31 176.76 3bdm h ARG 100 N 1.17 0.05 -0.50 1.11 9.65 -0.99 -0.54 114.38 124.33 3bdm h ARG 100 Ca 0.39 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.33 3bdm h ARG 100 Cb 0.05 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.56 3bdm h ARG 100 CO -0.14 0.26 0.16 -0.92 2.80 0.00 0.00 179.97 182.13 3bdm h TYR 101 N -0.16 0.28 0.05 2.20 3.20 -0.75 0.13 116.97 121.91 3bdm h TYR 101 Ca 0.01 0.03 -0.26 0.00 3.14 0.00 0.00 58.73 61.64 3bdm h TYR 101 Cb 0.23 -0.05 0.02 0.00 1.54 0.00 0.00 36.73 38.48 3bdm h TYR 101 CO 0.00 0.07 -1.06 0.87 -1.64 0.00 0.00 178.16 176.41 3bdm h LYS 102 N 0.32 0.62 -0.01 1.82 1.57 -1.02 -3.38 116.57 116.49 3bdm h LYS 102 Ca 0.24 -0.74 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3bdm h LYS 102 Cb 0.28 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3bdm h LYS 102 CO -0.26 1.32 -0.32 0.66 -0.57 0.00 0.00 179.45 180.27 3bdm n TYR 103 N -3.89 0.00 -1.19 -1.35 4.01 -0.22 -5.01 117.16 109.52 3bdm n TYR 103 Ca -0.12 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.55 3bdm n TYR 103 Cb 0.90 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.90 3bdm n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bdm n GLY 104 N 1.22 0.89 3.49 2.72 0.00 0.45 -5.01 105.19 108.95 3bdm n GLY 104 Ca 0.08 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 3bdm n GLY 104 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bdm s TYR 105 N -2.23 -0.62 0.22 1.61 -0.85 -1.25 -5.07 117.35 109.16 3bdm s TYR 105 Ca 0.00 0.90 -0.31 0.00 -0.52 0.00 0.00 57.07 57.14 3bdm s TYR 105 Cb 0.00 0.45 -0.11 0.00 0.38 0.00 0.00 41.96 42.68 3bdm s TYR 105 CO 0.00 -0.67 1.62 -0.51 -1.52 0.00 0.00 175.55 174.47 3bdm s ASP 106 N -1.62 6.47 0.23 -0.18 -0.00 -1.26 -4.13 116.67 116.19 3bdm s ASP 106 Ca -0.07 2.79 -0.31 0.00 -0.00 0.00 0.00 52.55 54.95 3bdm s ASP 106 Cb -0.00 -2.61 -0.12 0.00 -0.00 0.00 0.00 42.92 40.19 3bdm s ASP 106 CO 0.04 -0.89 1.66 0.80 -0.00 0.00 0.00 175.17 176.78 3bdm n MET 107 N 3.44 2.68 -2.72 8.23 0.00 -1.26 -4.95 117.12 122.54 3bdm n MET 107 Ca 0.13 0.96 -0.40 0.00 -0.00 0.00 0.00 57.70 58.39 3bdm n MET 107 Cb 0.37 -2.78 -0.05 0.00 0.00 0.00 0.00 33.22 30.76 3bdm n MET 107 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 3bdm s PRO 108 N 0.54 4.81 0.28 2.12 0.02 -1.26 -4.89 135.00 136.61 3bdm s PRO 108 Ca 0.71 1.50 -0.05 0.00 0.02 0.00 0.00 61.00 63.19 3bdm s PRO 108 Cb -0.52 -3.30 0.52 0.00 0.02 0.00 0.00 34.50 31.22 3bdm s PRO 108 CO 0.39 0.42 1.50 0.00 -0.33 0.00 0.00 177.00 178.98 3bdm h ASP 110 N 0.00 0.61 -0.26 0.00 -0.00 -1.96 -1.69 116.42 113.12 3bdm h ASP 110 Ca 0.49 -0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.43 3bdm h ASP 110 Cb 0.83 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 39.99 3bdm h ASP 110 CO -0.97 0.53 0.17 0.58 -0.00 0.00 0.00 179.24 179.55 3bdm h VAL 111 N 0.65 1.08 -0.76 4.15 2.07 -1.09 0.80 116.25 123.15 3bdm h VAL 111 Ca 0.17 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3bdm h VAL 111 Cb 0.06 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3bdm h VAL 111 CO -0.03 0.08 0.50 0.25 0.02 0.00 0.00 177.57 178.39 3bdm h LEU 112 N 0.35 0.76 0.70 2.57 5.85 -1.07 0.17 115.31 124.64 3bdm h LEU 112 Ca 0.10 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3bdm h LEU 112 Cb -0.02 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 40.85 3bdm h LEU 112 CO -0.02 0.51 -0.34 0.00 -0.34 0.00 0.00 178.44 178.26 3bdm h ALA 113 N 1.57 -0.94 -0.98 1.25 0.00 -0.43 -1.06 119.26 118.67 3bdm h ALA 113 Ca 0.31 -0.22 0.22 0.00 0.00 0.00 0.00 54.91 55.23 3bdm h ALA 113 Cb 0.13 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 3bdm h ALA 113 CO -0.10 -0.96 0.63 -0.22 0.00 0.00 0.00 179.25 178.60 3bdm h LYS 114 N -1.07 0.48 -0.24 0.00 3.64 -0.05 0.50 116.57 119.82 3bdm h LYS 114 Ca -0.10 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 3bdm h LYS 114 Cb 0.75 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3bdm h LYS 114 CO 0.16 0.32 -0.20 -0.09 -2.27 0.00 0.00 179.45 177.36 3bdm h ARG 115 N 0.49 0.57 -0.11 1.90 9.65 -0.50 -1.53 114.38 124.85 3bdm h ARG 115 Ca 0.55 -0.29 -0.12 0.00 -1.10 0.00 0.00 59.98 59.02 3bdm h ARG 115 Cb 1.23 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.81 3bdm h ARG 115 CO -0.28 0.87 -0.47 0.52 2.80 0.00 0.00 179.97 183.41 3bdm h MET 116 N 0.28 0.27 -0.06 0.20 2.86 0.43 -1.70 114.93 117.20 3bdm h MET 116 Ca 0.04 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3bdm h MET 116 Cb 0.75 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 3bdm h MET 116 CO 0.05 0.69 0.02 0.00 1.06 0.00 0.00 176.91 178.73 3bdm h ALA 117 N 1.29 0.08 -0.26 6.32 0.00 -0.04 -1.48 119.26 125.17 3bdm h ALA 117 Ca 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3bdm h ALA 117 Cb 0.92 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3bdm h ALA 117 CO 0.07 -0.30 0.06 -0.91 0.00 0.00 0.00 179.25 178.18 3bdm h ASN 118 N -0.12 0.33 -0.51 0.00 -0.26 -1.16 -0.00 115.58 113.86 3bdm h ASN 118 Ca 0.02 -0.03 -0.08 0.00 -0.56 0.00 0.00 56.30 55.64 3bdm h ASN 118 Cb 0.24 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.39 3bdm h ASN 118 CO 0.00 0.34 0.01 0.25 -1.06 0.00 0.00 177.43 176.97 3bdm h LEU 119 N 0.36 0.91 -0.24 1.61 5.85 -0.97 -2.62 115.31 120.22 3bdm h LEU 119 Ca 0.09 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 3bdm h LEU 119 Cb 0.15 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3bdm h LEU 119 CO -0.00 0.97 -0.17 0.28 -0.34 0.00 0.00 178.44 179.17 3bdm h SER 120 N 0.87 0.57 -1.01 1.25 0.02 -0.13 -2.92 113.55 112.20 3bdm h SER 120 Ca 0.16 -0.44 0.24 0.00 -0.84 0.00 0.00 61.79 60.91 3bdm h SER 120 Cb 0.50 -0.16 -0.11 0.00 0.14 0.00 0.00 62.40 62.78 3bdm h SER 120 CO 0.02 0.89 0.63 -0.61 -1.14 0.00 0.00 176.83 176.63 3bdm h GLN 121 N 0.26 0.52 -0.52 3.45 -0.00 -0.87 0.97 115.11 118.92 3bdm h GLN 121 Ca 0.05 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.65 3bdm h GLN 121 Cb 0.71 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 28.04 3bdm h GLN 121 CO 0.05 0.35 0.27 0.82 0.00 0.00 0.00 178.83 180.31 3bdm h ILE 122 N 0.54 1.19 0.00 2.39 2.04 -1.27 -1.53 117.51 120.87 3bdm h ILE 122 Ca 0.60 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.95 3bdm h ILE 122 Cb 1.26 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3bdm h ILE 122 CO -0.37 0.21 0.00 1.88 0.00 0.00 0.00 178.15 179.87 3bdm h TYR 123 N 0.70 0.00 0.00 1.37 0.05 -0.83 0.20 116.97 118.45 3bdm h TYR 123 Ca 0.18 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.78 3bdm h TYR 123 Cb 0.09 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 3bdm h TYR 123 CO -0.01 0.00 -0.84 1.15 -1.05 0.00 0.00 178.16 177.41 3bdm h THR 124 N 0.00 1.53 0.00 -2.88 2.02 -0.72 -3.37 112.91 109.49 3bdm h THR 124 Ca 0.00 -2.67 -0.34 0.00 0.77 0.00 0.00 66.41 64.17 3bdm h THR 124 Cb 0.24 2.47 -0.06 0.00 -1.74 0.00 0.00 68.15 69.06 3bdm h THR 124 CO 0.00 0.77 -2.26 1.67 0.37 0.00 0.00 175.52 176.07 3bdm n GLN 125 N -3.63 0.96 -3.17 6.66 7.27 -0.28 -4.76 117.38 120.44 3bdm n GLN 125 Ca -0.02 0.01 -0.39 0.00 0.07 0.00 0.00 57.00 56.67 3bdm n GLN 125 Cb 0.79 -1.47 -0.05 0.00 2.41 0.00 0.00 30.24 31.92 3bdm n GLN 125 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3bdm s ARG 126 N -2.44 4.36 0.29 3.69 0.52 0.54 -4.98 118.95 120.92 3bdm s ARG 126 Ca -0.12 0.66 0.01 0.00 -0.52 0.00 0.00 55.73 55.76 3bdm s ARG 126 Cb 0.06 -3.46 0.45 0.00 0.52 0.00 0.00 34.95 32.51 3bdm s ARG 126 CO 0.72 0.05 1.79 0.00 0.02 0.00 0.00 175.30 177.88 3bdm h ALA 127 N 6.86 1.20 0.00 2.13 0.00 -1.87 -3.11 119.26 124.47 3bdm h ALA 127 Ca -0.39 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3bdm h ALA 127 Cb 1.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3bdm h ALA 127 CO 0.76 0.52 -0.02 2.48 0.00 0.00 0.00 179.25 182.99 3bdm n TYR 128 N -4.22 0.17 -3.65 0.00 0.18 -1.26 -4.61 117.16 103.77 3bdm n TYR 128 Ca 0.01 0.05 -0.37 0.00 1.88 0.00 0.00 57.90 59.48 3bdm n TYR 128 Cb 0.30 -0.57 -0.09 0.00 -0.38 0.00 0.00 39.34 38.60 3bdm n TYR 128 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3bdm s MET 129 N -3.02 4.07 0.24 -3.48 -1.94 -1.18 -5.09 119.30 108.91 3bdm s MET 129 Ca 0.13 -0.25 -0.09 0.00 -1.71 0.00 0.00 55.69 53.77 3bdm s MET 129 Cb 0.18 -3.54 -0.07 0.00 2.01 0.00 0.00 34.83 33.41 3bdm s MET 129 CO 0.55 0.05 0.55 -0.98 -0.01 0.00 0.00 175.02 175.18 3bdm s ARG 130 N 1.08 3.77 1.09 2.03 1.70 -1.26 -4.69 118.95 122.67 3bdm s ARG 130 Ca 0.08 0.23 -0.16 0.00 -0.47 0.00 0.00 55.73 55.42 3bdm s ARG 130 Cb -0.14 -2.64 0.23 0.00 -0.57 0.00 0.00 34.95 31.83 3bdm s ARG 130 CO 0.05 0.29 1.12 -2.14 -1.08 0.00 0.00 175.30 173.54 3bdm s PRO 131 N -2.95 -0.28 -0.21 3.89 0.02 -1.26 -4.91 135.00 129.30 3bdm s PRO 131 Ca 0.47 0.17 -0.08 0.00 0.02 0.00 0.00 61.00 61.58 3bdm s PRO 131 Cb -0.11 -1.69 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 3bdm s PRO 131 CO 0.23 -3.13 0.09 -0.51 -0.33 0.00 0.00 177.00 173.35 3bdm s LEU 132 N -6.62 3.80 -0.77 -5.54 1.43 -1.26 -5.00 118.68 104.72 3bdm s LEU 132 Ca 0.68 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 3bdm s LEU 132 Cb -0.13 -1.99 -0.09 0.00 0.03 0.00 0.00 46.19 44.01 3bdm s LEU 132 CO 0.56 0.10 1.94 0.61 0.23 0.00 0.00 176.35 179.79 3bdm n GLY 133 N 4.07 2.76 3.43 -3.19 0.00 -1.26 -4.54 105.19 106.46 3bdm n GLY 133 Ca -0.16 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 3bdm n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bdm s VAL 134 N 4.11 0.02 -0.09 1.61 -7.23 -1.26 -3.72 120.40 113.84 3bdm s VAL 134 Ca 0.42 -0.15 0.02 0.00 -1.81 0.00 0.00 61.98 60.46 3bdm s VAL 134 Cb 0.11 -0.92 -0.02 0.00 0.56 0.00 0.00 36.38 36.11 3bdm s VAL 134 CO 0.02 -0.08 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.94 3bdm s ILE 135 N -1.60 2.85 -0.16 -0.62 1.01 -0.88 -3.85 121.20 117.94 3bdm s ILE 135 Ca -0.10 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 3bdm s ILE 135 Cb -0.01 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 3bdm s ILE 135 CO 0.05 0.56 -0.09 -0.76 0.00 0.00 0.00 174.94 174.70 3bdm s LEU 136 N -0.10 2.85 -0.29 2.97 1.43 0.90 -1.74 118.68 124.70 3bdm s LEU 136 Ca -0.03 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 3bdm s LEU 136 Cb -0.14 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.43 3bdm s LEU 136 CO 0.04 0.11 0.02 -0.89 0.23 0.00 0.00 176.35 175.86 3bdm s THR 137 N 0.66 3.40 -0.05 5.49 2.01 -0.65 -0.08 115.64 126.43 3bdm s THR 137 Ca -0.05 -0.98 -0.03 0.00 0.31 0.00 0.00 61.69 60.94 3bdm s THR 137 Cb -0.15 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 3bdm s THR 137 CO 0.02 0.06 0.12 -0.36 -0.69 0.00 0.00 174.62 173.77 3bdm s PHE 138 N 1.39 3.44 0.03 4.92 0.40 0.21 -1.20 117.98 127.17 3bdm s PHE 138 Ca -0.00 0.35 -0.07 0.00 -0.60 0.00 0.00 56.93 56.61 3bdm s PHE 138 Cb -0.18 -1.83 -0.00 0.00 0.51 0.00 0.00 43.02 41.52 3bdm s PHE 138 CO -0.00 0.63 0.13 0.14 0.70 0.00 0.00 175.22 176.81 3bdm s VAL 139 N -1.14 0.12 -0.17 -0.44 -7.23 -0.30 -1.22 120.40 110.01 3bdm s VAL 139 Ca 0.20 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 3bdm s VAL 139 Cb -0.12 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 36.02 3bdm s VAL 139 CO 0.11 -0.53 0.00 -1.54 -0.31 0.00 0.00 175.10 172.83 3bdm n SER 140 N 0.89 0.00 -3.79 4.85 3.41 -1.06 -1.65 113.62 116.27 3bdm n SER 140 Ca -0.20 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.13 3bdm n SER 140 Cb 0.58 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.41 3bdm n SER 140 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3bdm s VAL 141 N -2.37 2.34 0.25 -3.33 1.01 -1.26 -0.18 120.40 116.85 3bdm s VAL 141 Ca 0.00 -3.90 -0.30 0.00 0.00 0.00 0.00 61.98 57.78 3bdm s VAL 141 Cb 0.00 -2.55 -0.15 0.00 0.00 0.00 0.00 36.38 33.69 3bdm s VAL 141 CO 0.00 -1.05 1.09 -0.67 0.00 0.00 0.00 175.10 174.47 3bdm n ASP 142 N 2.19 1.41 0.16 3.32 2.03 -0.69 -4.68 116.55 120.30 3bdm n ASP 142 Ca 0.21 1.16 0.12 0.00 0.52 0.00 0.00 54.79 56.81 3bdm n ASP 142 Cb 0.38 -1.27 0.59 0.00 -0.72 0.00 0.00 41.12 40.09 3bdm n ASP 142 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3bdm h GLU 143 N 2.61 0.00 0.00 -0.67 4.11 -1.98 -0.38 114.58 118.27 3bdm h GLU 143 Ca -0.41 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.91 3bdm h GLU 143 Cb 1.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 3bdm h GLU 143 CO 0.65 0.00 -1.42 0.39 0.07 0.00 0.00 179.01 178.70 3bdm n GLU 14 N -2.34 1.12 -0.00 1.06 1.02 -1.26 -4.81 120.64 115.43 3bdm n GLU 14 Ca 0.00 0.03 0.03 0.00 -0.02 0.00 0.00 57.16 57.20 3bdm n GLU 14 Cb 0.13 -1.15 -0.12 0.00 -0.02 0.00 0.00 31.44 30.28 3bdm n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3bdm n LEU 144 N -2.56 0.38 0.00 -4.62 4.77 -1.19 -5.11 117.00 108.68 3bdm n LEU 144 Ca -0.12 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3bdm n LEU 144 Cb 0.66 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 3bdm n LEU 144 CO 0.09 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3bdm n GLY 145 N 1.40 -1.78 3.63 -0.72 0.00 -0.16 -4.87 105.19 102.70 3bdm n GLY 145 Ca -0.12 -1.66 -0.53 0.00 0.00 0.00 0.00 46.02 43.72 3bdm n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bdm n PRO 146 N 0.00 1.23 -4.25 1.61 -0.02 -1.26 -1.70 135.00 130.62 3bdm n PRO 146 Ca 0.00 0.45 -0.17 0.00 -2.02 0.00 0.00 63.50 61.76 3bdm n PRO 146 Cb 0.00 -2.11 -0.14 0.00 -0.02 0.00 0.00 33.50 31.23 3bdm n PRO 146 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3bdm s SER 147 N 1.40 0.89 -0.09 2.55 0.01 0.74 -4.91 113.70 114.29 3bdm s SER 147 Ca 0.88 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.94 3bdm s SER 147 Cb -0.96 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 65.22 3bdm s SER 147 CO 0.51 0.05 -0.03 -0.63 0.41 0.00 0.00 173.24 173.55 3bdm s ILE 148 N -0.34 0.65 -0.05 1.44 1.01 -1.26 -2.55 121.20 120.10 3bdm s ILE 148 Ca 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.62 3bdm s ILE 148 Cb -0.04 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.70 3bdm s ILE 148 CO -0.00 0.30 -0.07 -0.31 0.00 0.00 0.00 174.94 174.86 3bdm s TYR 149 N 1.79 0.95 0.02 3.97 2.02 -0.36 -0.84 117.35 124.90 3bdm s TYR 149 Ca 0.04 -0.29 0.06 0.00 -0.37 0.00 0.00 57.07 56.51 3bdm s TYR 149 Cb -0.13 -0.76 -0.02 0.00 -0.40 0.00 0.00 41.96 40.66 3bdm s TYR 149 CO -0.06 -0.19 -0.19 0.21 -1.57 0.00 0.00 175.55 173.75 3bdm s LYS 150 N 0.70 1.35 0.06 -0.62 2.20 -0.88 0.65 119.74 123.20 3bdm s LYS 150 Ca -0.11 -0.79 0.05 0.00 -0.36 0.00 0.00 55.97 54.76 3bdm s LYS 150 Cb -0.14 -1.38 -0.03 0.00 -1.51 0.00 0.00 37.83 34.78 3bdm s LYS 150 CO 0.01 0.36 -0.15 0.95 -0.36 0.00 0.00 175.35 176.16 3bdm s THR 151 N -0.65 1.18 0.46 3.43 -4.23 0.89 -2.68 115.64 114.04 3bdm s THR 151 Ca 0.06 -1.22 0.03 0.00 -1.18 0.00 0.00 61.69 59.38 3bdm s THR 151 Cb -0.08 -1.10 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 3bdm s THR 151 CO 0.01 -0.12 0.03 1.51 -0.54 0.00 0.00 174.62 175.51 3bdm s ASP 152 N -1.53 3.66 0.00 3.99 1.47 -0.97 -0.07 116.67 123.21 3bdm s ASP 152 Ca 0.00 -1.58 0.05 0.00 1.18 0.00 0.00 52.55 52.20 3bdm s ASP 152 Cb -0.09 0.30 0.22 0.00 -0.34 0.00 0.00 42.92 43.01 3bdm s ASP 152 CO 0.02 -0.77 1.15 -2.65 0.68 0.00 0.00 175.17 173.59 3bdm n PRO 153 N -1.09 0.01 0.08 2.11 -0.02 -1.25 -1.74 135.00 133.11 3bdm n PRO 153 Ca -0.12 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3bdm n PRO 153 Cb 0.67 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.89 3bdm n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bdm h ALA 154 N 2.18 0.74 0.00 3.55 0.00 -1.91 -3.45 119.26 120.37 3bdm h ALA 154 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bdm h ALA 154 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3bdm h ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3bdm n GLY 155 N 1.31 0.82 3.88 0.00 0.00 -0.71 -4.54 105.19 105.95 3bdm n GLY 155 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3bdm n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bdm s TYR 156 N -2.12 3.45 0.01 1.61 6.14 -1.26 -4.58 117.35 120.61 3bdm s TYR 156 Ca 0.00 0.88 -0.28 0.00 0.64 0.00 0.00 57.07 58.31 3bdm s TYR 156 Cb 0.00 -2.29 0.09 0.00 0.42 0.00 0.00 41.96 40.18 3bdm s TYR 156 CO 0.00 0.10 0.77 1.52 0.64 0.00 0.00 175.55 178.58 3bdm s TYR 157 N -2.10 -0.48 0.12 4.97 1.13 -1.26 -2.30 117.35 117.43 3bdm s TYR 157 Ca 0.48 0.52 -0.26 0.00 -1.41 0.00 0.00 57.07 56.40 3bdm s TYR 157 Cb -0.11 0.50 0.07 0.00 -1.10 0.00 0.00 41.96 41.33 3bdm s TYR 157 CO 0.27 -0.62 0.88 0.54 -2.51 0.00 0.00 175.55 174.11 3bdm s VAL 158 N -2.56 0.00 0.32 -3.49 0.11 -1.09 -4.99 120.40 108.70 3bdm s VAL 158 Ca -0.01 -0.43 -0.02 0.00 -2.93 0.00 0.00 61.98 58.59 3bdm s VAL 158 Cb -0.01 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.20 3bdm s VAL 158 CO -0.04 0.00 0.56 -0.83 -3.33 0.00 0.00 175.10 171.45 3bdm s GLY 159 N -2.78 1.57 0.12 6.54 0.00 -1.26 -2.07 107.32 109.43 3bdm s GLY 159 Ca 0.09 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.08 3bdm s GLY 159 CO -0.02 -0.66 -0.05 -0.19 0.00 0.00 0.00 173.10 172.17 3bdm s TYR 160 N -2.23 0.97 0.09 1.90 1.51 -0.02 -4.97 117.35 114.60 3bdm s TYR 160 Ca 0.42 -0.94 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 3bdm s TYR 160 Cb -0.10 -0.55 -0.25 0.00 -0.11 0.00 0.00 41.96 40.94 3bdm s TYR 160 CO 0.34 -0.16 1.20 0.87 -1.11 0.00 0.00 175.55 176.69 3bdm h LYS 161 N 2.90 0.17 -2.03 -0.62 1.57 -1.89 -3.38 116.57 113.28 3bdm h LYS 161 Ca -0.36 -0.28 0.19 0.00 -1.87 0.00 0.00 60.65 58.33 3bdm h LYS 161 Cb 1.17 0.11 -0.13 0.00 0.08 0.00 0.00 32.23 33.46 3bdm h LYS 161 CO 0.64 1.13 0.60 0.00 -0.57 0.00 0.00 179.45 181.25 3bdm s ALA 162 N -2.68 -1.88 0.14 3.86 0.00 -1.26 -3.53 121.76 116.41 3bdm s ALA 162 Ca -0.02 0.79 -0.24 0.00 0.00 0.00 0.00 51.96 52.49 3bdm s ALA 162 Cb 0.08 0.39 0.07 0.00 0.00 0.00 0.00 23.12 23.66 3bdm s ALA 162 CO 0.86 -0.84 0.69 -0.08 0.00 0.00 0.00 175.76 176.39 3bdm s THR 163 N -2.94 0.00 0.05 0.00 -1.32 -0.43 -4.97 115.64 106.02 3bdm s THR 163 Ca 0.09 -0.18 0.01 0.00 -1.21 0.00 0.00 61.69 60.41 3bdm s THR 163 Cb -0.00 -1.19 -0.03 0.00 -1.51 0.00 0.00 72.50 69.76 3bdm s THR 163 CO -0.04 0.00 -0.06 0.00 -2.21 0.00 0.00 174.62 172.31 3bdm s ALA 164 N -3.62 0.57 -0.09 11.08 0.00 -1.26 -0.36 121.76 128.08 3bdm s ALA 164 Ca 0.04 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 3bdm s ALA 164 Cb -0.02 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.26 3bdm s ALA 164 CO -0.09 -0.15 0.31 0.99 0.00 0.00 0.00 175.76 176.82 3bdm s THR 165 N -2.32 0.02 -3.50 0.00 2.01 0.14 -4.93 115.64 107.05 3bdm s THR 165 Ca -0.03 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.84 3bdm s THR 165 Cb -0.04 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.99 3bdm s THR 165 CO -0.03 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 3bdm n GLY 166 N 2.50 0.87 0.22 4.40 0.00 -1.26 -0.57 105.19 111.34 3bdm n GLY 166 Ca -0.15 -2.05 -0.03 0.00 0.00 0.00 0.00 46.02 43.79 3bdm n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3bdm h PRO 167 N 7.66 0.48 -0.95 1.61 0.11 -1.89 -2.27 132.00 136.75 3bdm h PRO 167 Ca 0.00 -0.03 -0.55 0.00 0.11 0.00 0.00 66.00 65.53 3bdm h PRO 167 Cb 0.00 -0.11 -0.29 0.00 0.11 0.00 0.00 31.00 30.71 3bdm h PRO 167 CO 0.00 0.32 0.65 1.63 -0.21 0.00 0.00 178.00 180.38 3bdm n LYS 168 N -4.90 2.40 -0.15 1.05 5.02 -1.26 -4.66 118.16 115.66 3bdm n LYS 168 Ca 0.06 -3.14 -0.03 0.00 -2.02 0.00 0.00 58.31 53.18 3bdm n LYS 168 Cb 0.17 -2.19 0.05 0.00 -0.02 0.00 0.00 35.03 33.04 3bdm n LYS 168 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3bdm h GLN 169 N 1.36 0.10 -0.82 1.97 -0.00 -1.70 -2.55 115.11 113.46 3bdm h GLN 169 Ca 0.60 -0.01 0.06 0.00 -0.00 0.00 0.00 58.65 59.30 3bdm h GLN 169 Cb 2.09 -0.02 -0.05 0.00 0.00 0.00 0.00 27.48 29.49 3bdm h GLN 169 CO 1.21 0.06 0.53 0.37 0.00 0.00 0.00 178.83 181.01 3bdm h GLN 170 N 0.10 0.87 -0.17 1.69 5.75 -1.84 -0.30 115.11 121.20 3bdm h GLN 170 Ca 0.24 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.65 3bdm h GLN 170 Cb 0.36 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 3bdm h GLN 170 CO -0.41 0.58 -0.02 0.93 -2.65 0.00 0.00 178.83 177.26 3bdm h GLU 171 N 0.90 0.32 -0.73 1.69 3.07 -1.83 -2.21 114.58 115.79 3bdm h GLU 171 Ca 0.35 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3bdm h GLU 171 Cb 0.22 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.07 3bdm h GLU 171 CO -0.12 0.56 0.44 0.82 -1.40 0.00 0.00 179.01 179.31 3bdm h ILE 172 N 0.05 1.21 0.82 3.13 1.08 -1.24 -2.28 117.51 120.28 3bdm h ILE 172 Ca 0.05 -0.46 -0.04 0.00 -0.39 0.00 0.00 64.86 64.01 3bdm h ILE 172 Cb 0.43 0.20 0.01 0.00 -3.07 0.00 0.00 36.82 34.39 3bdm h ILE 172 CO 0.01 0.22 -0.39 0.74 -0.69 0.00 0.00 178.15 178.04 3bdm h THR 173 N 0.99 0.17 -0.71 -0.27 2.02 -0.99 -2.46 112.91 111.67 3bdm h THR 173 Ca 0.26 -0.04 0.14 0.00 0.77 0.00 0.00 66.41 67.54 3bdm h THR 173 Cb -0.03 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.52 3bdm h THR 173 CO -0.05 0.00 0.47 0.71 0.37 0.00 0.00 175.52 177.03 3bdm h THR 174 N -1.13 0.81 0.80 3.16 1.35 -1.38 0.24 112.91 116.77 3bdm h THR 174 Ca -0.11 -0.13 -0.04 0.00 -0.55 0.00 0.00 66.41 65.58 3bdm h THR 174 Cb 0.85 0.39 0.01 0.00 -1.73 0.00 0.00 68.15 67.67 3bdm h THR 174 CO 0.19 0.07 -0.39 -1.13 -0.25 0.00 0.00 175.52 174.01 3bdm h ASN 175 N 0.39 -0.91 -0.59 5.36 -0.73 -1.20 -1.45 115.58 116.44 3bdm h ASN 175 Ca 0.34 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.54 3bdm h ASN 175 Cb 0.79 0.24 -0.03 0.00 0.27 0.00 0.00 38.32 39.59 3bdm h ASN 175 CO -0.10 -0.65 0.37 -0.07 -0.37 0.00 0.00 177.43 176.61 3bdm h LEU 176 N -1.08 0.70 -0.68 0.34 3.38 -0.93 -1.70 115.31 115.35 3bdm h LEU 176 Ca -0.11 -0.05 0.14 0.00 0.09 0.00 0.00 57.88 57.95 3bdm h LEU 176 Cb 0.83 -0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.28 3bdm h LEU 176 CO 0.18 0.54 -0.10 -0.33 0.09 0.00 0.00 178.44 178.82 3bdm h GLU 177 N 0.80 0.04 -0.42 1.13 5.08 -0.43 0.38 114.58 121.16 3bdm h GLU 177 Ca 0.21 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3bdm h GLU 177 Cb -0.04 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3bdm h GLU 177 CO -0.04 0.03 0.05 -0.91 -1.00 0.00 0.00 179.01 177.14 3bdm h ASN 178 N 0.04 0.68 -0.75 1.42 -0.26 -0.67 -2.98 115.58 113.06 3bdm h ASN 178 Ca 0.34 -0.27 0.06 0.00 -0.56 0.00 0.00 56.30 55.87 3bdm h ASN 178 Cb 0.55 -0.18 -0.06 0.00 -1.06 0.00 0.00 38.32 37.57 3bdm h ASN 178 CO -0.66 0.78 0.45 -0.74 -1.06 0.00 0.00 177.43 176.21 3bdm h HIS 179 N 0.56 0.83 0.00 1.19 2.76 -0.16 -1.35 115.15 118.98 3bdm h HIS 179 Ca 0.13 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3bdm h HIS 179 Cb 0.40 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.09 3bdm h HIS 179 CO 0.03 0.42 -0.01 1.19 -1.30 0.00 0.00 177.93 178.26 3bdm n PHE 17 N -4.70 0.00 0.00 5.26 3.72 -0.06 -0.66 117.46 121.02 3bdm n PHE 17 Ca 0.10 -0.77 0.00 0.00 -0.05 0.00 0.00 57.45 56.73 3bdm n PHE 17 Cb 0.16 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 3bdm n PHE 17 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3bdm n LYS 17 N 1.69 0.00 -0.08 -1.08 4.81 -0.51 -0.23 118.16 122.76 3bdm n LYS 17 Ca 0.02 0.00 0.26 0.00 -0.87 0.00 0.00 58.31 57.72 3bdm n LYS 17 Cb 0.39 0.00 0.71 0.00 0.02 0.00 0.00 35.03 36.15 3bdm n LYS 17 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3bdm h SER 17 N 0.00 0.00 0.00 3.14 4.64 -1.16 -3.45 113.55 116.73 3bdm h SER 17 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bdm h SER 17 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bdm h SER 17 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3bdm n LYS 17 N -3.92 -0.21 -4.43 4.77 5.02 0.69 -4.98 118.16 115.09 3bdm n LYS 17 Ca 0.15 0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 56.24 3bdm n LYS 17 Cb 0.90 -3.51 -0.11 0.00 -0.02 0.00 0.00 35.03 32.29 3bdm n LYS 17 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3bdm s ILE 18 N -2.40 2.49 -1.57 -0.18 -5.25 -1.26 -5.05 121.20 107.98 3bdm s ILE 18 Ca 0.00 -2.15 0.05 0.00 -0.99 0.00 0.00 60.65 57.56 3bdm s ILE 18 Cb 0.00 -2.25 0.19 0.00 2.95 0.00 0.00 42.46 43.35 3bdm s ILE 18 CO 0.00 -0.24 1.03 -0.90 -1.79 0.00 0.00 174.94 173.05 3bdm n ASP 18 N -0.13 1.49 -2.52 4.36 5.75 -1.26 -4.82 116.55 119.42 3bdm n ASP 18 Ca -0.09 -2.09 -0.09 0.00 -0.01 0.00 0.00 54.79 52.50 3bdm n ASP 18 Cb 0.58 -0.28 -0.00 0.00 -1.03 0.00 0.00 41.12 40.38 3bdm n ASP 18 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bdm n HIS 18 N 0.11 -1.69 -3.21 2.11 1.44 -1.26 -4.76 115.22 107.96 3bdm n HIS 18 Ca 0.07 -1.69 -0.45 0.00 -2.01 0.00 0.00 57.72 53.63 3bdm n HIS 18 Cb 0.29 0.60 -0.04 0.00 0.12 0.00 0.00 29.99 30.95 3bdm n HIS 18 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3bdm s ILE 18 N -2.51 5.06 -0.25 0.61 -1.09 0.11 -5.01 121.20 118.12 3bdm s ILE 18 Ca 0.18 -1.38 -0.29 0.00 -2.23 0.00 0.00 60.65 56.93 3bdm s ILE 18 Cb -0.02 -4.43 -0.06 0.00 -1.58 0.00 0.00 42.46 36.36 3bdm s ILE 18 CO 0.13 -1.02 2.23 -3.20 -1.23 0.00 0.00 174.94 171.85 3bdm n ASN 184 N 5.64 3.05 0.02 3.58 4.05 -1.26 -3.45 115.26 126.89 3bdm n ASN 184 Ca -0.08 0.21 0.00 0.00 0.45 0.00 0.00 54.58 55.16 3bdm n ASN 184 Cb 0.42 -1.51 0.00 0.00 1.23 0.00 0.00 39.78 39.92 3bdm n ASN 184 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3bdm n GLU 18 N 8.69 0.00 -2.90 1.20 4.71 -1.26 -4.99 120.64 126.08 3bdm n GLU 18 Ca 0.32 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 57.14 3bdm n GLU 18 Cb 0.41 -0.33 -0.07 0.00 -1.01 0.00 0.00 31.44 30.45 3bdm n GLU 18 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3bdm s SER 18 N -5.17 6.90 0.22 1.62 1.04 -1.26 -4.77 113.70 112.28 3bdm s SER 18 Ca 0.00 1.58 0.08 0.00 0.48 0.00 0.00 55.95 58.09 3bdm s SER 18 Cb 0.00 -2.50 0.17 0.00 0.10 0.00 0.00 66.02 63.79 3bdm s SER 18 CO 0.00 -0.31 1.50 4.11 0.98 0.00 0.00 173.24 179.52 3bdm h TRP 186 N 2.03 0.08 -0.91 5.02 5.08 -1.99 -3.22 115.95 122.04 3bdm h TRP 186 Ca -0.49 -0.04 0.11 0.00 1.08 0.00 0.00 58.89 59.55 3bdm h TRP 186 Cb 1.18 -0.01 -0.08 0.00 -3.00 0.00 0.00 29.16 27.25 3bdm h TRP 186 CO 0.62 0.77 0.55 0.93 -1.28 0.00 0.00 178.44 180.03 3bdm h GLU 187 N 0.04 0.86 -0.09 0.12 3.07 -1.99 0.34 114.58 116.94 3bdm h GLU 187 Ca -0.01 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.69 3bdm h GLU 187 Cb 1.30 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 3bdm h GLU 187 CO 0.10 0.57 -0.42 0.87 -1.40 0.00 0.00 179.01 178.73 3bdm h LYS 188 N 0.89 0.19 -0.01 2.33 1.79 -1.97 -0.97 116.57 118.82 3bdm h LYS 188 Ca 0.44 -0.09 -0.19 0.00 -2.18 0.00 0.00 60.65 58.64 3bdm h LYS 188 Cb 0.42 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 3bdm h LYS 188 CO -0.26 0.58 -0.83 0.28 -1.08 0.00 0.00 179.45 178.15 3bdm h VAL 189 N 0.16 1.48 -0.58 0.50 2.07 -1.09 -0.90 116.25 117.89 3bdm h VAL 189 Ca 0.01 -2.50 -0.08 0.00 0.82 0.00 0.00 66.70 64.95 3bdm h VAL 189 Cb 0.81 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 3bdm h VAL 189 CO 0.06 0.73 0.06 0.58 0.02 0.00 0.00 177.57 179.03 3bdm h VAL 190 N 0.12 1.26 -0.62 2.57 2.07 -0.10 -1.13 116.25 120.43 3bdm h VAL 190 Ca -0.04 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 3bdm h VAL 190 Cb 1.43 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 3bdm h VAL 190 CO 0.13 0.38 0.19 -0.33 0.02 0.00 0.00 177.57 177.96 3bdm h GLU 191 N 0.88 0.97 -0.04 1.57 5.08 -0.98 -0.88 114.58 121.18 3bdm h GLU 191 Ca 0.17 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3bdm h GLU 191 Cb 0.46 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3bdm h GLU 191 CO 0.02 0.86 0.02 0.35 -1.00 0.00 0.00 179.01 179.26 3bdm h PHE 192 N 0.89 0.05 -0.05 4.33 3.04 -0.95 -0.13 116.94 124.13 3bdm h PHE 192 Ca 0.20 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.19 3bdm h PHE 192 Cb 0.30 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 38.73 3bdm h PHE 192 CO 0.02 0.11 -0.35 0.00 -2.02 0.00 0.00 178.31 176.08 3bdm h ALA 193 N 0.94 -0.49 -0.98 2.41 0.00 -0.97 -1.16 119.26 119.00 3bdm h ALA 193 Ca 0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3bdm h ALA 193 Cb 0.08 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3bdm h ALA 193 CO -0.00 -0.85 0.64 0.82 0.00 0.00 0.00 179.25 179.86 3bdm h ILE 194 N -0.47 1.18 0.65 0.00 2.04 -1.04 -2.20 117.51 117.66 3bdm h ILE 194 Ca 0.07 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 3bdm h ILE 194 Cb 0.58 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3bdm h ILE 194 CO -0.31 0.23 -0.34 0.74 0.00 0.00 0.00 178.15 178.46 3bdm h THR 195 N 1.25 0.00 -0.11 -0.27 2.02 -0.27 -1.95 112.91 113.58 3bdm h THR 195 Ca 0.39 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.60 3bdm h THR 195 Cb -0.01 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.40 3bdm h THR 195 CO -0.12 0.00 0.15 0.45 0.37 0.00 0.00 175.52 176.37 3bdm h HIS 196 N -0.91 0.00 -0.09 3.16 3.86 -1.19 0.20 115.15 120.17 3bdm h HIS 196 Ca -0.09 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 3bdm h HIS 196 Cb 0.71 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 3bdm h HIS 196 CO 0.03 0.00 0.03 1.98 0.86 0.00 0.00 177.93 180.82 3bdm h MET 197 N 0.00 0.15 -0.14 2.45 -1.53 -1.08 -0.73 114.93 114.05 3bdm h MET 197 Ca 0.05 -0.03 -0.00 0.00 -3.44 0.00 0.00 59.70 56.28 3bdm h MET 197 Cb 0.35 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.37 3bdm h MET 197 CO -0.00 0.32 0.08 0.82 0.14 0.00 0.00 176.91 178.27 3bdm h ILE 198 N -0.05 1.08 -0.54 1.77 2.04 0.08 0.24 117.51 122.13 3bdm h ILE 198 Ca 0.03 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3bdm h ILE 198 Cb 0.23 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3bdm h ILE 198 CO -0.00 0.07 0.35 0.44 0.00 0.00 0.00 178.15 179.01 3bdm h ASP 199 N 0.15 0.59 -0.07 1.72 3.45 -1.00 1.03 116.42 122.29 3bdm h ASP 199 Ca 0.05 -0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.45 3bdm h ASP 199 Cb 0.04 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 3bdm h ASP 199 CO -0.01 0.43 -0.16 0.00 -1.57 0.00 0.00 179.24 177.92 3bdm h ALA 200 N 1.21 0.11 0.00 3.45 0.00 -1.02 -3.19 119.26 119.82 3bdm h ALA 200 Ca 0.20 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3bdm h ALA 200 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3bdm h ALA 200 CO -0.06 0.03 0.00 -0.07 0.00 0.00 0.00 179.25 179.15 3bdm h LEU 201 N -0.27 0.00 -2.05 0.00 3.38 -0.91 -3.45 115.31 112.00 3bdm h LEU 201 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3bdm h LEU 201 Cb 0.77 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.68 3bdm h LEU 201 CO 0.04 0.00 -0.72 0.61 0.09 0.00 0.00 178.44 178.46 3bdm n GLY 202 N 1.22 -0.56 3.22 0.83 0.00 0.35 -5.03 105.19 105.22 3bdm n GLY 202 Ca 0.05 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 3bdm n GLY 202 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bdm s THR 203 N -3.33 0.08 -0.02 2.61 2.01 -0.93 -5.04 115.64 111.02 3bdm s THR 203 Ca 0.18 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 3bdm s THR 203 Cb -0.02 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 3bdm s THR 203 CO 0.65 -0.35 0.21 -0.70 -0.69 0.00 0.00 174.62 173.74 3bdm s GLU 204 N -1.98 3.50 0.17 4.92 2.56 -1.26 -4.47 118.70 122.14 3bdm s GLU 204 Ca -0.09 -0.19 0.11 0.00 0.00 0.00 0.00 54.97 54.80 3bdm s GLU 204 Cb -0.03 -3.11 -0.04 0.00 2.00 0.00 0.00 34.13 32.95 3bdm s GLU 204 CO 0.00 0.68 -0.24 -0.06 -0.56 0.00 0.00 175.26 175.08 3bdm s PHE 205 N -1.26 2.24 0.28 5.30 0.40 -1.26 -5.11 117.98 118.56 3bdm s PHE 205 Ca 0.25 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.24 3bdm s PHE 205 Cb -0.13 -1.14 0.03 0.00 0.51 0.00 0.00 43.02 42.29 3bdm s PHE 205 CO 0.15 0.43 0.28 -1.13 0.70 0.00 0.00 175.22 175.64 3bdm n SER 206 N 0.50 1.54 0.00 1.36 3.41 -1.26 -4.99 113.62 114.18 3bdm n SER 206 Ca -0.15 -1.86 0.12 0.00 -0.26 0.00 0.00 58.87 56.72 3bdm n SER 206 Cb 0.55 -0.09 0.59 0.00 -0.26 0.00 0.00 64.21 65.00 3bdm n SER 206 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3bdm n LYS 207 N -1.33 0.24 -0.17 4.33 2.85 -1.26 -2.94 118.16 119.88 3bdm n LYS 207 Ca 0.03 0.06 0.05 0.00 -1.05 0.00 0.00 58.31 57.40 3bdm n LYS 207 Cb 0.30 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.32 3bdm n LYS 207 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3bdm n ASN 208 N -1.35 2.86 -0.52 -5.58 3.02 -1.26 -4.40 115.26 108.03 3bdm n ASN 208 Ca 0.10 -2.12 0.09 0.00 -0.03 0.00 0.00 54.58 52.62 3bdm n ASN 208 Cb 0.22 -0.23 0.03 0.00 -0.61 0.00 0.00 39.78 39.19 3bdm n ASN 208 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3bdm n ASP 209 N 0.21 2.01 -4.41 6.41 10.43 -1.15 -4.73 116.55 125.32 3bdm n ASP 209 Ca 0.11 -1.51 -0.26 0.00 2.57 0.00 0.00 54.79 55.70 3bdm n ASP 209 Cb 0.45 0.31 -0.09 0.00 1.84 0.00 0.00 41.12 43.62 3bdm n ASP 209 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3bdm s LEU 210 N -1.93 2.21 -0.24 0.64 1.43 -1.26 -1.78 118.68 117.75 3bdm s LEU 210 Ca 0.17 -1.54 -0.08 0.00 -1.03 0.00 0.00 54.13 51.65 3bdm s LEU 210 Cb 0.15 -0.41 0.11 0.00 0.03 0.00 0.00 46.19 46.07 3bdm s LEU 210 CO 0.37 -0.76 0.51 -0.70 0.23 0.00 0.00 176.35 176.00 3bdm s GLU 211 N -3.80 0.43 0.03 1.70 2.12 -0.42 -4.61 118.70 114.14 3bdm s GLU 211 Ca 0.25 1.17 0.08 0.00 0.36 0.00 0.00 54.97 56.84 3bdm s GLU 211 Cb 0.05 0.51 -0.03 0.00 0.26 0.00 0.00 34.13 34.92 3bdm s GLU 211 CO 0.13 -0.26 -0.25 0.08 -0.54 0.00 0.00 175.26 174.41 3bdm s VAL 212 N 2.73 2.00 0.01 3.70 1.01 -1.26 -1.66 120.40 126.92 3bdm s VAL 212 Ca -0.02 -1.26 0.04 0.00 0.00 0.00 0.00 61.98 60.75 3bdm s VAL 212 Cb -0.12 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 3bdm s VAL 212 CO -0.16 0.40 -0.13 -0.83 0.00 0.00 0.00 175.10 174.39 3bdm s GLY 213 N -1.03 0.65 -0.01 4.51 0.00 -0.50 -1.41 107.32 109.53 3bdm s GLY 213 Ca 0.10 -0.62 0.03 0.00 0.00 0.00 0.00 44.72 44.24 3bdm s GLY 213 CO 0.01 -0.55 -0.10 0.14 0.00 0.00 0.00 173.10 172.60 3bdm s VAL 214 N -0.46 0.84 -0.14 1.40 1.01 0.12 -1.38 120.40 121.78 3bdm s VAL 214 Ca 0.04 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3bdm s VAL 214 Cb -0.06 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.62 3bdm s VAL 214 CO 0.00 0.24 -0.21 0.00 0.00 0.00 0.00 175.10 175.13 3bdm s ALA 215 N -0.15 2.28 0.47 5.51 0.00 0.70 -0.89 121.76 129.68 3bdm s ALA 215 Ca 0.02 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3bdm s ALA 215 Cb -0.05 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 3bdm s ALA 215 CO -0.00 -0.05 0.06 0.95 0.00 0.00 0.00 175.76 176.72 3bdm s THR 216 N 0.85 0.86 0.04 0.00 -4.23 0.15 -0.60 115.64 112.71 3bdm s THR 216 Ca -0.06 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.15 3bdm s THR 216 Cb -0.15 -2.20 -0.09 0.00 1.34 0.00 0.00 72.50 71.39 3bdm s THR 216 CO -0.03 0.00 1.96 -0.75 -0.54 0.00 0.00 174.62 175.27 3bdm s LYS 217 N -3.79 4.14 -1.20 3.99 2.47 -1.26 -2.81 119.74 121.27 3bdm s LYS 217 Ca 0.12 2.62 -0.02 0.00 -1.56 0.00 0.00 55.97 57.14 3bdm s LYS 217 Cb 0.01 -4.12 -0.01 0.00 -1.46 0.00 0.00 37.83 32.25 3bdm s LYS 217 CO 0.08 -0.95 0.91 -0.25 0.16 0.00 0.00 175.35 175.30 3bdm n ASP 218 N 7.41 -2.59 0.00 1.43 8.00 -1.26 -4.99 116.55 124.55 3bdm n ASP 218 Ca 0.20 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 55.00 3bdm n ASP 218 Cb 0.41 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.68 3bdm n ASP 218 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3bdm n LYS 220 N -4.04 0.00 -4.46 -1.24 4.81 -1.12 -4.93 118.16 107.17 3bdm n LYS 220 Ca -0.25 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 56.93 3bdm n LYS 220 Cb 0.66 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.55 3bdm n LYS 220 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3bdm s PHE 221 N -0.67 1.57 0.06 5.64 2.19 -0.63 0.35 117.98 126.49 3bdm s PHE 221 Ca 0.00 -0.64 -0.01 0.00 0.33 0.00 0.00 56.93 56.61 3bdm s PHE 221 Cb 0.00 -1.17 -0.04 0.00 -1.31 0.00 0.00 43.02 40.50 3bdm s PHE 221 CO 0.00 -0.35 -0.02 -0.59 1.83 0.00 0.00 175.22 176.09 3bdm s PHE 222 N 0.88 0.60 0.08 10.12 -0.12 -0.07 -4.91 117.98 124.57 3bdm s PHE 222 Ca -0.10 -1.08 0.06 0.00 -0.05 0.00 0.00 56.93 55.76 3bdm s PHE 222 Cb -0.15 -0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 41.79 3bdm s PHE 222 CO 0.01 -0.37 -0.06 0.95 -0.05 0.00 0.00 175.22 175.69 3bdm s THR 223 N -3.91 3.62 0.37 -4.49 -4.23 -1.26 0.10 115.64 105.84 3bdm s THR 223 Ca 0.10 -1.09 -0.13 0.00 -1.18 0.00 0.00 61.69 59.38 3bdm s THR 223 Cb 0.08 -2.68 -0.08 0.00 1.34 0.00 0.00 72.50 71.16 3bdm s THR 223 CO -0.08 0.16 0.76 -0.76 -0.54 0.00 0.00 174.62 174.16 3bdm s LEU 224 N -2.10 3.93 0.52 4.79 1.43 -0.50 -4.97 118.68 121.78 3bdm s LEU 224 Ca 0.22 1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 54.51 3bdm s LEU 224 Cb -0.11 -4.05 0.01 0.00 0.03 0.00 0.00 46.19 42.06 3bdm s LEU 224 CO 0.14 -0.31 0.77 -0.94 0.23 0.00 0.00 176.35 176.24 3bdm s SER 225 N -2.75 5.61 0.20 2.29 1.04 -1.26 -4.64 113.70 114.20 3bdm s SER 225 Ca 0.53 0.36 -0.21 0.00 0.48 0.00 0.00 55.95 57.11 3bdm s SER 225 Cb -0.10 -1.44 0.14 0.00 0.10 0.00 0.00 66.02 64.72 3bdm s SER 225 CO 0.25 -0.93 1.57 0.00 0.98 0.00 0.00 173.24 175.11 3bdm h ALA 226 N 0.13 -0.04 -0.66 5.32 0.00 -1.97 0.69 119.26 122.72 3bdm h ALA 226 Ca -0.45 0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3bdm h ALA 226 Cb 1.26 0.92 -0.05 0.00 0.00 0.00 0.00 17.79 19.93 3bdm h ALA 226 CO 0.57 -0.70 0.40 0.93 0.00 0.00 0.00 179.25 180.46 3bdm h GLU 227 N -0.11 0.74 -0.77 0.00 4.39 -1.93 0.23 114.58 117.13 3bdm h GLU 227 Ca 0.26 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.02 3bdm h GLU 227 Cb 0.56 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 3bdm h GLU 227 CO -0.80 0.49 0.50 -0.91 -1.16 0.00 0.00 179.01 177.13 3bdm h ASN 228 N 0.76 0.61 0.05 1.42 -0.26 -1.27 -0.11 115.58 116.78 3bdm h ASN 228 Ca 0.28 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 56.03 3bdm h ASN 228 Cb 0.08 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 3bdm h ASN 228 CO -0.13 0.36 -0.02 0.40 -1.06 0.00 0.00 177.43 176.97 3bdm h ILE 229 N 0.67 1.29 -0.92 2.81 2.04 -0.12 -2.64 117.51 120.64 3bdm h ILE 229 Ca 0.36 -1.52 0.27 0.00 1.00 0.00 0.00 64.86 64.96 3bdm h ILE 229 Cb 0.49 2.23 -0.15 0.00 -0.74 0.00 0.00 36.82 38.65 3bdm h ILE 229 CO -0.13 0.36 0.31 -0.08 0.00 0.00 0.00 178.15 178.61 3bdm h GLU 230 N -0.79 0.20 -0.35 2.37 4.57 0.18 1.16 114.58 121.91 3bdm h GLU 230 Ca -0.01 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 3bdm h GLU 230 Cb 0.64 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 3bdm h GLU 230 CO 0.01 0.13 -0.27 1.49 -1.18 0.00 0.00 179.01 179.20 3bdm h GLU 231 N 0.21 0.72 -0.20 1.92 4.81 -1.08 -1.84 114.58 119.11 3bdm h GLU 231 Ca 0.61 -0.30 -0.18 0.00 -0.13 0.00 0.00 59.36 59.36 3bdm h GLU 231 Cb 1.31 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 3bdm h GLU 231 CO -0.68 0.91 -0.61 -0.09 -0.73 0.00 0.00 179.01 177.81 3bdm h ARG 232 N 0.62 0.67 -0.46 1.92 9.65 0.13 -2.75 114.38 124.17 3bdm h ARG 232 Ca 0.08 -0.46 -0.05 0.00 -1.10 0.00 0.00 59.98 58.45 3bdm h ARG 232 Cb 0.77 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.40 3bdm h ARG 232 CO 0.06 1.08 0.09 -0.07 2.80 0.00 0.00 179.97 183.94 3bdm h LEU 233 N 0.50 0.71 -0.27 3.80 4.07 0.83 -2.83 115.31 122.12 3bdm h LEU 233 Ca -0.00 -0.25 0.02 0.00 0.08 0.00 0.00 57.88 57.72 3bdm h LEU 233 Cb 1.19 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 3bdm h LEU 233 CO 0.12 0.77 0.14 0.58 -1.08 0.00 0.00 178.44 178.98 3bdm h VAL 234 N 0.62 1.01 -0.60 1.22 2.07 -1.32 -1.68 116.25 117.56 3bdm h VAL 234 Ca 0.14 -0.10 0.12 0.00 0.82 0.00 0.00 66.70 67.68 3bdm h VAL 234 Cb 0.35 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 3bdm h VAL 234 CO 0.00 0.05 0.06 0.00 0.02 0.00 0.00 177.57 177.71 3bdm h ALA 235 N 1.13 0.66 -0.02 1.67 0.00 -1.26 0.19 119.26 121.63 3bdm h ALA 235 Ca 0.11 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 3bdm h ALA 235 Cb 0.02 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3bdm h ALA 235 CO -0.07 -0.36 -0.46 -0.84 0.00 0.00 0.00 179.25 177.53 3bdm h ILE 236 N 0.18 1.33 -0.72 0.00 3.07 -1.26 -2.72 117.51 117.39 3bdm h ILE 236 Ca 0.32 -1.58 -0.00 0.00 1.55 0.00 0.00 64.86 65.14 3bdm h ILE 236 Cb 0.50 1.83 -0.04 0.00 -0.27 0.00 0.00 36.82 38.84 3bdm h ILE 236 CO -0.46 0.46 0.45 0.00 -1.05 0.00 0.00 178.15 177.54 3bdm h ALA 237 N 1.50 0.92 -0.38 0.16 0.00 0.25 -2.88 119.26 118.83 3bdm h ALA 237 Ca -0.00 -0.08 -0.72 0.00 0.00 0.00 0.00 54.91 54.12 3bdm h ALA 237 Cb 0.82 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 3bdm h ALA 237 CO 0.06 0.38 2.94 0.39 0.00 0.00 0.00 179.25 183.03 3bdm n GLU 238 N -4.54 3.92 0.00 0.00 1.02 -0.13 -2.25 120.64 118.66 3bdm n GLU 238 Ca 0.06 -2.93 0.00 0.00 -0.02 0.00 0.00 57.16 54.27 3bdm n GLU 238 Cb 0.05 -2.82 0.00 0.00 -0.02 0.00 0.00 31.44 28.65 3bdm n GLU 238 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3bdm n GLN 239 N 3.26 0.00 0.00 3.49 7.27 -1.09 -4.96 117.38 125.34 3bdm n GLN 239 Ca 0.63 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.77 3bdm n GLN 239 Cb 0.28 0.00 0.06 0.00 2.41 0.00 0.00 30.24 32.98 3bdm n GLN 239 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88