#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm n THR 5 N 0.00 -5.17 -1.36 1.12 -1.04 -1.26 -4.57 114.28 102.00 3bdm n THR 5 Ca 0.00 1.20 -0.53 0.00 -2.04 0.00 0.00 64.05 62.69 3bdm n THR 5 Cb 0.00 -3.31 -0.11 0.00 -1.82 0.00 0.00 70.33 65.09 3bdm n THR 5 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3bdm n ASP 6 N 1.97 1.08 -1.23 8.00 4.64 -1.26 -4.75 116.55 125.00 3bdm n ASP 6 Ca -0.01 0.46 0.08 0.00 -1.38 0.00 0.00 54.79 53.94 3bdm n ASP 6 Cb 0.02 -1.03 0.28 0.00 -1.04 0.00 0.00 41.12 39.35 3bdm n ASP 6 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3bdm n ARG 7 N 7.94 2.85 -2.97 -0.67 1.74 -1.26 -4.51 116.66 119.78 3bdm n ARG 7 Ca 0.53 -2.22 -0.42 0.00 -0.77 0.00 0.00 57.85 54.97 3bdm n ARG 7 Cb 0.07 -1.64 0.01 0.00 -1.02 0.00 0.00 32.46 29.87 3bdm n ARG 7 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3bdm n TYR 8 N 1.02 2.40 0.73 -1.55 4.01 -1.26 -4.73 117.16 117.77 3bdm n TYR 8 Ca 0.20 -2.67 0.07 0.00 -0.16 0.00 0.00 57.90 55.35 3bdm n TYR 8 Cb 0.64 -1.19 0.20 0.00 -0.31 0.00 0.00 39.34 38.68 3bdm n TYR 8 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3bdm n SER 9 N 1.05 2.19 -4.72 7.72 3.41 -1.26 -0.18 113.62 121.83 3bdm n SER 9 Ca 0.30 -1.97 -0.23 0.00 -0.26 0.00 0.00 58.87 56.70 3bdm n SER 9 Cb 0.32 -0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 63.95 3bdm n SER 9 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3bdm s PHE 10 N -1.48 2.70 0.24 7.33 -0.12 -1.26 -4.59 117.98 120.79 3bdm s PHE 10 Ca 0.29 -0.37 -0.30 0.00 -0.05 0.00 0.00 56.93 56.49 3bdm s PHE 10 Cb 0.15 -1.59 -0.09 0.00 -0.63 0.00 0.00 43.02 40.86 3bdm s PHE 10 CO 0.20 0.37 1.21 -1.12 -0.05 0.00 0.00 175.22 175.84 3bdm s SER 11 N -3.82 7.04 0.00 1.98 0.01 -1.26 -1.01 113.70 116.64 3bdm s SER 11 Ca 0.37 2.36 0.23 0.00 1.31 0.00 0.00 55.95 60.22 3bdm s SER 11 Cb -0.03 -2.62 0.17 0.00 0.21 0.00 0.00 66.02 63.76 3bdm s SER 11 CO 0.22 -0.37 1.23 0.18 0.41 0.00 0.00 173.24 174.91 3bdm n LEU 12 N 1.90 2.88 -3.96 2.44 4.77 -1.26 -4.72 117.00 119.05 3bdm n LEU 12 Ca 0.03 -0.98 -0.31 0.00 -0.03 0.00 0.00 56.01 54.72 3bdm n LEU 12 Cb 0.44 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.37 3bdm n LEU 12 CO 0.56 0.49 -0.43 -0.89 -1.33 0.00 0.00 177.39 175.79 3bdm s THR 13 N -1.99 1.63 0.44 -5.08 2.01 -1.26 -4.85 115.64 106.53 3bdm s THR 13 Ca 0.27 -1.29 0.03 0.00 0.31 0.00 0.00 61.69 61.02 3bdm s THR 13 Cb 0.19 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 3bdm s THR 13 CO 0.31 -0.09 0.12 0.42 -0.69 0.00 0.00 174.62 174.69 3bdm s THR 14 N 1.35 0.62 0.04 -0.82 -4.23 -1.26 -4.87 115.64 106.47 3bdm s THR 14 Ca -0.06 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.24 3bdm s THR 14 Cb -0.19 -2.26 -0.06 0.00 1.34 0.00 0.00 72.50 71.33 3bdm s THR 14 CO -0.06 0.00 0.60 -0.36 -0.54 0.00 0.00 174.62 174.26 3bdm s PHE 15 N -3.13 3.75 0.38 3.99 0.08 -1.26 -4.22 117.98 117.56 3bdm s PHE 15 Ca 0.19 1.27 -0.02 0.00 0.12 0.00 0.00 56.93 58.49 3bdm s PHE 15 Cb 0.02 -2.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.85 3bdm s PHE 15 CO 0.13 0.46 0.62 -1.54 -0.10 0.00 0.00 175.22 174.78 3bdm s SER 16 N -0.62 6.31 0.55 1.36 1.04 -0.23 -4.95 113.70 117.16 3bdm s SER 16 Ca 0.31 0.62 0.28 0.00 0.48 0.00 0.00 55.95 57.64 3bdm s SER 16 Cb -0.19 -2.11 1.45 0.00 0.10 0.00 0.00 66.02 65.27 3bdm s SER 16 CO 0.19 -0.36 1.94 -0.65 0.98 0.00 0.00 173.24 175.34 3bdm h PRO 17 N 0.74 0.00 0.00 4.02 0.11 -1.98 0.39 132.00 135.27 3bdm h PRO 17 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3bdm h PRO 17 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3bdm h PRO 17 CO 0.62 0.00 -0.09 0.66 -0.21 0.00 0.00 178.00 178.98 3bdm h SER 18 N 0.00 0.00 0.00 -2.05 4.64 -2.04 -3.46 113.55 110.64 3bdm h SER 18 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3bdm h SER 18 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3bdm h SER 18 CO -0.00 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3bdm n GLY 19 N 0.69 1.15 3.95 -0.77 0.00 0.14 -5.10 105.19 105.24 3bdm n GLY 19 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3bdm n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdm s LYS 20 N -0.65 3.10 -0.57 1.61 -0.14 -1.26 -4.79 119.74 117.05 3bdm s LYS 20 Ca 0.00 -0.50 0.02 0.00 -1.36 0.00 0.00 55.97 54.13 3bdm s LYS 20 Cb 0.00 -2.58 0.14 0.00 -1.68 0.00 0.00 37.83 33.71 3bdm s LYS 20 CO 0.00 -0.22 0.34 -0.51 -0.76 0.00 0.00 175.35 174.20 3bdm s LEU 21 N -4.52 4.60 0.00 3.17 1.43 -1.26 -1.07 118.68 121.04 3bdm s LEU 21 Ca 0.48 -3.07 0.00 0.00 -1.03 0.00 0.00 54.13 50.51 3bdm s LEU 21 Cb -0.10 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.42 3bdm s LEU 21 CO 0.37 -0.25 0.57 0.61 0.23 0.00 0.00 176.35 177.88 3bdm n GLY 22 N 3.08 -1.89 0.39 -3.19 0.00 -1.26 -1.31 105.19 101.01 3bdm n GLY 22 Ca 0.07 0.36 0.20 0.00 0.00 0.00 0.00 46.02 46.66 3bdm n GLY 22 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3bdm h GLN 23 N 0.00 0.46 -0.28 1.61 1.08 -1.90 0.47 115.11 116.55 3bdm h GLN 23 Ca 0.00 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.05 3bdm h GLN 23 Cb 0.00 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 3bdm h GLN 23 CO 0.00 0.30 -0.32 0.82 -0.95 0.00 0.00 178.83 178.68 3bdm h ILE 24 N 0.47 1.28 0.33 2.54 2.04 -1.60 0.12 117.51 122.69 3bdm h ILE 24 Ca 0.59 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 3bdm h ILE 24 Cb 1.37 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 3bdm h ILE 24 CO -0.33 0.46 -0.16 0.44 0.00 0.00 0.00 178.15 178.56 3bdm h ASP 25 N 0.51 -0.38 -0.93 1.72 3.45 0.50 -1.31 116.42 119.99 3bdm h ASP 25 Ca 0.06 -0.15 0.04 0.00 0.43 0.00 0.00 57.03 57.41 3bdm h ASP 25 Cb 0.81 0.10 -0.06 0.00 -0.56 0.00 0.00 39.33 39.62 3bdm h ASP 25 CO 0.07 -0.04 0.61 1.88 -1.57 0.00 0.00 179.24 180.19 3bdm h TYR 26 N -0.75 1.12 -0.40 4.55 0.05 -0.59 -0.54 116.97 120.41 3bdm h TYR 26 Ca -0.05 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.78 3bdm h TYR 26 Cb 0.50 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 3bdm h TYR 26 CO 0.02 0.64 0.22 0.00 -1.05 0.00 0.00 178.16 177.99 3bdm h ALA 27 N 1.46 0.50 -0.38 3.88 0.00 -0.67 -0.94 119.26 123.12 3bdm h ALA 27 Ca 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3bdm h ALA 27 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3bdm h ALA 27 CO -0.12 -0.12 0.14 -0.07 0.00 0.00 0.00 179.25 179.08 3bdm h LEU 28 N 0.45 0.48 -0.72 0.00 3.38 -0.07 -1.53 115.31 117.30 3bdm h LEU 28 Ca 0.16 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3bdm h LEU 28 Cb 0.03 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3bdm h LEU 28 CO -0.09 0.45 0.46 0.74 0.09 0.00 0.00 178.44 180.09 3bdm h THR 29 N 0.53 1.11 -0.29 0.22 2.02 0.17 -1.19 112.91 115.48 3bdm h THR 29 Ca 0.13 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 3bdm h THR 29 Cb 0.12 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 3bdm h THR 29 CO -0.01 0.16 0.04 0.00 0.37 0.00 0.00 175.52 176.08 3bdm h ALA 30 N 1.30 1.54 -0.50 6.16 0.00 -0.44 -1.67 119.26 125.66 3bdm h ALA 30 Ca 0.29 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3bdm h ALA 30 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3bdm h ALA 30 CO -0.10 0.34 -0.07 0.28 0.00 0.00 0.00 179.25 179.69 3bdm h VAL 31 N 0.42 1.27 -0.45 0.00 2.07 -0.82 -2.66 116.25 116.07 3bdm h VAL 31 Ca 0.10 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.46 3bdm h VAL 31 Cb 0.21 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3bdm h VAL 31 CO 0.00 0.42 0.22 0.11 0.02 0.00 0.00 177.57 178.34 3bdm h LYS 32 N 0.80 0.43 -0.21 1.57 1.79 -0.37 -2.34 116.57 118.24 3bdm h LYS 32 Ca 0.13 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.54 3bdm h LYS 32 Cb 0.62 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 3bdm h LYS 32 CO 0.04 0.28 -0.06 1.96 -1.08 0.00 0.00 179.45 180.60 3bdm h GLN 33 N 0.44 0.31 -7.12 3.15 1.08 -1.26 -2.35 115.11 109.37 3bdm h GLN 33 Ca 0.20 -0.06 -0.49 0.00 -1.45 0.00 0.00 58.65 56.84 3bdm h GLN 33 Cb 0.11 -0.05 0.21 0.00 -0.05 0.00 0.00 27.48 27.70 3bdm h GLN 33 CO -0.14 0.39 -0.05 0.41 -0.95 0.00 0.00 178.83 178.48 3bdm n GLY 34 N -0.97 -1.24 3.74 3.46 0.00 -0.88 -4.56 105.19 104.74 3bdm n GLY 34 Ca -0.00 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 3bdm n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 35 N -2.51 2.04 0.58 1.61 1.01 -1.26 -0.57 120.40 121.31 3bdm s VAL 35 Ca 0.65 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 3bdm s VAL 35 Cb -0.23 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3bdm s VAL 35 CO 0.62 -0.00 1.12 -0.89 0.00 0.00 0.00 175.10 175.95 3bdm s THR 36 N -1.37 3.22 -0.13 3.92 2.01 -1.26 -4.39 115.64 117.64 3bdm s THR 36 Ca 0.80 0.68 -0.27 0.00 0.31 0.00 0.00 61.69 63.21 3bdm s THR 36 Cb -0.38 -3.23 0.06 0.00 0.01 0.00 0.00 72.50 68.96 3bdm s THR 36 CO 0.42 -0.24 0.65 -0.94 -0.69 0.00 0.00 174.62 173.82 3bdm s SER 37 N -2.09 -0.64 0.28 3.53 1.04 -0.82 -3.56 113.70 111.44 3bdm s SER 37 Ca 0.70 0.92 -0.01 0.00 0.48 0.00 0.00 55.95 58.05 3bdm s SER 37 Cb -0.22 0.86 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 3bdm s SER 37 CO 0.32 -0.44 0.30 -1.48 0.98 0.00 0.00 173.24 172.92 3bdm s LEU 38 N -0.57 1.17 -0.04 2.42 0.05 0.76 -1.35 118.68 121.11 3bdm s LEU 38 Ca -0.07 -1.45 -0.14 0.00 0.05 0.00 0.00 54.13 52.52 3bdm s LEU 38 Cb -0.02 0.89 0.02 0.00 -2.05 0.00 0.00 46.19 45.03 3bdm s LEU 38 CO 0.06 -1.06 0.31 -0.83 -0.55 0.00 0.00 176.35 174.28 3bdm s GLY 39 N -3.22 -0.17 -0.06 -3.48 0.00 0.28 -1.43 107.32 99.25 3bdm s GLY 39 Ca 0.35 0.45 -0.02 0.00 0.00 0.00 0.00 44.72 45.50 3bdm s GLY 39 CO 0.18 0.27 0.13 -0.42 0.00 0.00 0.00 173.10 173.25 3bdm s ILE 40 N -0.96 -0.06 -0.24 0.90 1.09 -0.49 -1.13 121.20 120.31 3bdm s ILE 40 Ca -0.10 0.19 -0.13 0.00 -1.10 0.00 0.00 60.65 59.51 3bdm s ILE 40 Cb -0.05 -0.22 -0.04 0.00 -1.06 0.00 0.00 42.46 41.09 3bdm s ILE 40 CO 0.03 0.08 0.26 -0.75 -0.10 0.00 0.00 174.94 174.46 3bdm s LYS 41 N 1.20 4.07 0.00 2.79 2.20 0.11 -1.66 119.74 128.45 3bdm s LYS 41 Ca -0.09 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 3bdm s LYS 41 Cb -0.12 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 3bdm s LYS 41 CO -0.05 -0.06 0.00 0.00 -0.36 0.00 0.00 175.35 174.88 3bdm n ALA 42 N 4.62 0.00 0.33 3.13 0.00 0.28 -4.89 120.51 123.98 3bdm n ALA 42 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.44 3bdm n ALA 42 Cb 0.52 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.07 3bdm n ALA 42 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3bdm h THR 43 N 0.01 0.00 -0.20 0.00 1.35 -1.22 -3.37 112.91 109.48 3bdm h THR 43 Ca 0.00 -0.77 -0.21 0.00 -0.55 0.00 0.00 66.41 64.88 3bdm h THR 43 Cb 0.00 1.38 -0.38 0.00 -1.73 0.00 0.00 68.15 67.42 3bdm h THR 43 CO 0.00 0.00 -1.04 -0.46 -0.25 0.00 0.00 175.52 173.77 3bdm n ASN 44 N -2.48 1.40 0.00 5.36 6.94 -1.26 -5.02 115.26 120.19 3bdm n ASN 44 Ca 0.02 -2.16 0.00 0.00 -0.02 0.00 0.00 54.58 52.42 3bdm n ASN 44 Cb 0.50 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 3bdm n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bdm n GLY 45 N -0.05 -0.52 3.09 4.83 0.00 -1.26 -4.64 105.19 106.64 3bdm n GLY 45 Ca 0.08 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 3bdm n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 46 N -2.00 0.13 0.01 1.61 1.01 -0.86 -0.56 120.40 119.73 3bdm s VAL 46 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.95 3bdm s VAL 46 Cb 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 3bdm s VAL 46 CO 0.00 -0.57 -0.04 0.54 0.00 0.00 0.00 175.10 175.03 3bdm s VAL 47 N -2.31 0.31 -0.01 2.92 0.11 -0.66 -0.90 120.40 119.87 3bdm s VAL 47 Ca -0.08 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.61 3bdm s VAL 47 Cb -0.03 -0.31 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 3bdm s VAL 47 CO -0.03 -0.06 -0.08 0.27 -3.33 0.00 0.00 175.10 171.88 3bdm s ILE 48 N -0.44 0.59 0.12 7.04 -4.36 -0.48 -1.40 121.20 122.27 3bdm s ILE 48 Ca -0.02 -0.33 -0.12 0.00 -0.26 0.00 0.00 60.65 59.92 3bdm s ILE 48 Cb -0.04 -0.50 0.01 0.00 1.25 0.00 0.00 42.46 43.19 3bdm s ILE 48 CO -0.00 0.16 0.30 0.00 0.24 0.00 0.00 174.94 175.65 3bdm s ALA 49 N -0.19 -0.53 0.25 2.27 0.00 -0.52 -1.38 121.76 121.67 3bdm s ALA 49 Ca 0.03 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.54 3bdm s ALA 49 Cb -0.03 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.74 3bdm s ALA 49 CO -0.00 -0.59 0.44 -2.37 0.00 0.00 0.00 175.76 173.23 3bdm n THR 50 N -0.16 0.00 -4.66 0.00 5.66 -0.65 -0.17 114.28 114.29 3bdm n THR 50 Ca -0.14 -0.92 -0.33 0.00 -3.05 0.00 0.00 64.05 59.61 3bdm n THR 50 Cb 0.63 0.70 -0.14 0.00 -1.55 0.00 0.00 70.33 69.98 3bdm n THR 50 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3bdm s GLU 51 N -2.28 3.45 -1.08 1.09 2.12 -1.23 -2.12 118.70 118.64 3bdm s GLU 51 Ca 0.15 -0.63 -0.19 0.00 0.36 0.00 0.00 54.97 54.65 3bdm s GLU 51 Cb -0.02 -2.71 0.10 0.00 0.26 0.00 0.00 34.13 31.75 3bdm s GLU 51 CO 0.11 0.24 1.42 0.15 -0.54 0.00 0.00 175.26 176.64 3bdm s LYS 52 N 0.31 3.75 -1.32 4.30 1.02 0.49 -4.91 119.74 123.39 3bdm s LYS 52 Ca -0.08 -1.71 -0.17 0.00 0.02 0.00 0.00 55.97 54.03 3bdm s LYS 52 Cb -0.15 -5.23 0.02 0.00 -0.52 0.00 0.00 37.83 31.95 3bdm s LYS 52 CO 0.05 -2.03 2.01 1.17 -0.92 0.00 0.00 175.35 175.63 3bdm n LYS 53 N 7.63 2.76 -1.48 1.68 3.00 -1.26 -4.74 118.16 125.74 3bdm n LYS 53 Ca 0.34 -2.75 -0.51 0.00 -0.00 0.00 0.00 58.31 55.39 3bdm n LYS 53 Cb 0.48 -3.35 -0.05 0.00 0.00 0.00 0.00 35.03 32.11 3bdm n LYS 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3bdm n SER 54 N 7.57 -0.11 -2.22 3.14 2.88 -1.26 -4.86 113.62 118.76 3bdm n SER 54 Ca 0.50 1.14 -0.29 0.00 -1.33 0.00 0.00 58.87 58.90 3bdm n SER 54 Cb 0.42 -1.02 0.12 0.00 -0.75 0.00 0.00 64.21 62.98 3bdm n SER 54 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3bdm n SER 55 N 1.81 5.78 0.00 -3.46 7.64 -1.26 -4.88 113.62 119.24 3bdm n SER 55 Ca 0.17 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.34 3bdm n SER 55 Cb 0.20 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 3bdm n SER 55 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3bdm n SER 56 N -1.01 0.00 0.00 6.43 2.88 -1.26 -4.91 113.62 115.75 3bdm n SER 56 Ca 0.60 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 58.20 3bdm n SER 56 Cb 1.09 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.83 3bdm n SER 56 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3bdm n PRO 57 N -0.85 0.01 0.10 -1.46 -0.04 -1.26 -1.24 135.00 130.26 3bdm n PRO 57 Ca 0.00 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 3bdm n PRO 57 Cb 0.00 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.11 3bdm n PRO 57 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3bdm h LEU 58 N 0.00 0.00 -9.81 1.53 3.38 -2.00 -3.46 115.31 104.95 3bdm h LEU 58 Ca 0.00 -0.11 -0.52 0.00 0.09 0.00 0.00 57.88 57.34 3bdm h LEU 58 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3bdm h LEU 58 CO 0.00 0.05 0.15 0.00 0.09 0.00 0.00 178.44 178.73 3bdm s ALA 59 N -3.22 3.41 -0.57 1.53 0.00 -0.37 -5.03 121.76 117.51 3bdm s ALA 59 Ca 0.05 0.26 -0.14 0.00 0.00 0.00 0.00 51.96 52.12 3bdm s ALA 59 Cb 0.11 -2.89 0.14 0.00 0.00 0.00 0.00 23.12 20.48 3bdm s ALA 59 CO 0.72 0.31 0.51 -1.64 0.00 0.00 0.00 175.76 175.65 3bdm s MET 60 N -1.68 2.97 0.00 0.00 -1.94 -1.26 -4.88 119.30 112.51 3bdm s MET 60 Ca 0.41 -1.82 0.00 0.00 -1.71 0.00 0.00 55.69 52.56 3bdm s MET 60 Cb -0.19 -4.24 0.00 0.00 2.01 0.00 0.00 34.83 32.40 3bdm s MET 60 CO 0.23 -1.30 0.84 -1.13 -0.01 0.00 0.00 175.02 173.65 3bdm n SER 61 N 5.01 0.00 0.08 3.03 3.41 -1.26 -1.19 113.62 122.70 3bdm n SER 61 Ca -0.09 0.35 -0.11 0.00 -0.26 0.00 0.00 58.87 58.76 3bdm n SER 61 Cb 0.41 -0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 3bdm n SER 61 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3bdm h GLU 62 N 0.00 0.23 -2.12 4.33 3.07 -1.94 -3.25 114.58 114.90 3bdm h GLU 62 Ca 0.00 -0.28 -0.08 0.00 -0.50 0.00 0.00 59.36 58.50 3bdm h GLU 62 Cb 0.09 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 3bdm h GLU 62 CO 0.00 1.03 -0.11 0.25 -1.40 0.00 0.00 179.01 178.79 3bdm n THR 63 N -3.62 1.98 -3.64 1.13 -2.24 -0.34 -4.67 114.28 102.88 3bdm n THR 63 Ca -0.05 -0.82 -0.04 0.00 -2.27 0.00 0.00 64.05 60.87 3bdm n THR 63 Cb 0.87 -1.66 -0.07 0.00 -2.10 0.00 0.00 70.33 67.36 3bdm n THR 63 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3bdm s LEU 64 N 0.00 -0.26 -0.15 3.22 0.20 -1.23 -5.05 118.68 115.41 3bdm s LEU 64 Ca 0.29 0.48 0.01 0.00 0.69 0.00 0.00 54.13 55.60 3bdm s LEU 64 Cb 0.14 1.47 0.02 0.00 -0.43 0.00 0.00 46.19 47.39 3bdm s LEU 64 CO 0.00 -0.08 -0.17 -0.44 -0.29 0.00 0.00 176.35 175.37 3bdm s SER 65 N 0.43 2.83 0.10 3.68 0.01 -1.26 -4.95 113.70 114.54 3bdm s SER 65 Ca 0.01 -0.54 0.21 0.00 1.31 0.00 0.00 55.95 56.94 3bdm s SER 65 Cb -0.04 -1.29 -0.12 0.00 0.21 0.00 0.00 66.02 64.77 3bdm s SER 65 CO -0.12 -0.01 0.81 0.29 0.41 0.00 0.00 173.24 174.62 3bdm n LYS 66 N 4.54 0.63 -3.78 12.44 5.02 -1.26 -4.67 118.16 131.08 3bdm n LYS 66 Ca -0.19 0.06 -0.37 0.00 -2.02 0.00 0.00 58.31 55.79 3bdm n LYS 66 Cb 0.50 -1.74 -0.13 0.00 -0.02 0.00 0.00 35.03 33.65 3bdm n LYS 66 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bdm s VAL 67 N -3.26 3.75 0.24 -0.18 1.01 -1.26 -3.94 120.40 116.77 3bdm s VAL 67 Ca -0.03 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.09 3bdm s VAL 67 Cb 0.10 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 3bdm s VAL 67 CO 0.83 -0.04 -0.12 -0.44 0.00 0.00 0.00 175.10 175.32 3bdm s SER 68 N 1.43 4.02 -0.15 3.32 0.01 -0.51 -4.93 113.70 116.89 3bdm s SER 68 Ca 0.00 -0.78 -0.16 0.00 1.31 0.00 0.00 55.95 56.32 3bdm s SER 68 Cb -0.18 -0.56 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 3bdm s SER 68 CO 0.02 0.06 0.38 -0.22 0.41 0.00 0.00 173.24 173.89 3bdm s LEU 69 N -3.26 4.25 -0.22 2.44 0.20 -1.26 -0.68 118.68 120.15 3bdm s LEU 69 Ca 0.28 0.64 -0.08 0.00 0.69 0.00 0.00 54.13 55.67 3bdm s LEU 69 Cb -0.07 -2.53 -0.18 0.00 -0.43 0.00 0.00 46.19 42.98 3bdm s LEU 69 CO 0.16 0.04 -0.06 0.18 -0.29 0.00 0.00 176.35 176.38 3bdm n LEU 70 N 3.70 2.48 -4.02 -0.68 4.77 0.20 -4.95 117.00 118.51 3bdm n LEU 70 Ca -0.09 0.14 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 3bdm n LEU 70 Cb 0.52 -0.95 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 3bdm n LEU 70 CO 0.41 0.73 0.02 0.42 -1.33 0.00 0.00 177.39 177.65 3bdm s THR 71 N -2.50 0.03 -1.14 -5.08 -4.23 -1.08 -4.64 115.64 97.00 3bdm s THR 71 Ca -0.32 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3bdm s THR 71 Cb 0.09 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.83 3bdm s THR 71 CO 0.61 -0.12 0.78 -0.81 -0.54 0.00 0.00 174.62 174.54 3bdm n PRO 72 N -0.29 0.00 -0.34 3.99 -0.04 -1.26 -1.87 135.00 135.19 3bdm n PRO 72 Ca -0.03 0.30 0.05 0.00 -0.04 0.00 0.00 63.50 63.78 3bdm n PRO 72 Cb 0.63 -1.54 0.07 0.00 -0.04 0.00 0.00 33.50 32.62 3bdm n PRO 72 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3bdm n ASP 73 N -1.28 1.14 -3.71 3.54 8.00 -1.26 -1.74 116.55 121.23 3bdm n ASP 73 Ca 0.00 -2.55 -0.12 0.00 0.71 0.00 0.00 54.79 52.83 3bdm n ASP 73 Cb 0.04 -0.32 -0.13 0.00 -0.02 0.00 0.00 41.12 40.70 3bdm n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bdm s ILE 74 N -1.39 -0.10 0.21 0.53 1.01 -0.78 -1.43 121.20 119.24 3bdm s ILE 74 Ca 0.17 0.16 0.09 0.00 0.00 0.00 0.00 60.65 61.07 3bdm s ILE 74 Cb 0.15 -0.42 -0.05 0.00 0.01 0.00 0.00 42.46 42.16 3bdm s ILE 74 CO 0.01 0.07 -0.16 -0.83 0.00 0.00 0.00 174.94 174.02 3bdm s GLY 75 N 1.47 1.50 0.21 6.18 0.00 0.38 0.60 107.32 117.67 3bdm s GLY 75 Ca -0.08 -1.68 0.03 0.00 0.00 0.00 0.00 44.72 42.99 3bdm s GLY 75 CO -0.09 -1.77 0.01 0.00 0.00 0.00 0.00 173.10 171.25 3bdm s ALA 76 N -2.77 1.59 0.09 3.20 0.00 0.14 -1.08 121.76 122.94 3bdm s ALA 76 Ca 0.23 -1.69 -0.25 0.00 0.00 0.00 0.00 51.96 50.24 3bdm s ALA 76 Cb -0.02 0.56 0.07 0.00 0.00 0.00 0.00 23.12 23.73 3bdm s ALA 76 CO 0.08 -0.30 0.66 0.54 0.00 0.00 0.00 175.76 176.74 3bdm s VAL 77 N -3.55 0.00 0.00 0.00 0.11 -0.94 -1.43 120.40 114.59 3bdm s VAL 77 Ca 0.27 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 3bdm s VAL 77 Cb 0.06 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 3bdm s VAL 77 CO 0.07 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.84 3bdm n TYR 78 N -0.09 -0.01 -3.59 1.54 4.11 -1.25 -0.89 117.16 116.99 3bdm n TYR 78 Ca -0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.72 3bdm n TYR 78 Cb 0.63 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.92 3bdm n TYR 78 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 3bdm s SER 79 N -0.54 -0.89 0.00 9.48 0.01 -1.13 -4.56 113.70 116.08 3bdm s SER 79 Ca 0.00 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.54 3bdm s SER 79 Cb 0.00 1.83 0.00 0.00 0.21 0.00 0.00 66.02 68.06 3bdm s SER 79 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 3bdm n GLY 80 N 4.90 0.44 3.57 3.44 0.00 -1.26 -2.20 105.19 114.07 3bdm n GLY 80 Ca -0.14 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 3bdm n GLY 80 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bdm s MET 81 N -1.79 3.57 0.17 1.61 -1.94 0.23 -4.75 119.30 116.40 3bdm s MET 81 Ca 0.00 0.18 -0.25 0.00 -1.71 0.00 0.00 55.69 53.91 3bdm s MET 81 Cb 0.00 -3.90 0.04 0.00 2.01 0.00 0.00 34.83 32.98 3bdm s MET 81 CO 0.00 -1.13 1.57 0.78 -0.01 0.00 0.00 175.02 176.22 3bdm h GLY 82 N 10.35 -0.46 0.53 -0.03 0.00 -1.96 -1.62 103.07 109.88 3bdm h GLY 82 Ca -0.24 0.56 0.14 0.00 0.00 0.00 0.00 47.33 47.79 3bdm h GLY 82 CO 1.00 -0.16 0.57 -2.55 0.00 0.00 0.00 176.54 175.40 3bdm h PRO 83 N -0.23 0.68 -0.52 4.80 0.11 -2.00 -0.80 132.00 134.04 3bdm h PRO 83 Ca 0.18 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 3bdm h PRO 83 Cb 0.56 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 3bdm h PRO 83 CO -0.68 0.45 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.09 3bdm h ASP 84 N 0.70 0.87 -0.26 -2.05 3.45 -1.70 -2.42 116.42 115.02 3bdm h ASP 84 Ca 0.45 -0.23 -0.02 0.00 0.43 0.00 0.00 57.03 57.65 3bdm h ASP 84 Cb 0.71 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 3bdm h ASP 84 CO -0.21 0.95 0.08 0.22 -1.57 0.00 0.00 179.24 178.71 3bdm h TYR 85 N 0.83 0.42 0.01 4.55 3.20 -0.81 -2.32 116.97 122.84 3bdm h TYR 85 Ca 0.15 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3bdm h TYR 85 Cb 0.52 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 3bdm h TYR 85 CO 0.03 0.46 -0.36 -0.09 -1.64 0.00 0.00 178.16 176.56 3bdm h ARG 86 N 0.25 -0.50 -0.13 1.82 2.43 -0.98 0.86 114.38 118.13 3bdm h ARG 86 Ca 0.08 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3bdm h ARG 86 Cb 0.24 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3bdm h ARG 86 CO -0.00 -0.33 -0.16 -0.39 -1.51 0.00 0.00 179.97 177.58 3bdm h VAL 87 N -0.52 1.18 -0.07 0.20 -1.51 -1.44 -2.09 116.25 112.00 3bdm h VAL 87 Ca 0.05 -0.82 -0.07 0.00 -1.23 0.00 0.00 66.70 64.63 3bdm h VAL 87 Cb 0.60 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 31.01 3bdm h VAL 87 CO -0.28 0.25 -0.30 -0.07 -1.23 0.00 0.00 177.57 175.94 3bdm h LEU 88 N 0.20 0.13 -0.31 4.19 3.38 -0.60 -1.33 115.31 120.96 3bdm h LEU 88 Ca 0.04 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3bdm h LEU 88 Cb 0.40 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3bdm h LEU 88 CO 0.02 0.43 -0.09 0.58 0.09 0.00 0.00 178.44 179.47 3bdm h VAL 89 N 0.12 1.28 0.13 1.22 2.07 -0.19 0.13 116.25 121.01 3bdm h VAL 89 Ca 0.02 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 3bdm h VAL 89 Cb 0.59 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3bdm h VAL 89 CO 0.04 0.37 -0.06 0.44 0.02 0.00 0.00 177.57 178.38 3bdm h ASP 90 N 0.38 -0.14 -0.98 0.57 3.32 -1.24 0.51 116.42 118.84 3bdm h ASP 90 Ca 0.08 -0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.14 3bdm h ASP 90 Cb 0.59 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.11 3bdm h ASP 90 CO 0.03 -0.04 0.63 0.11 -1.72 0.00 0.00 179.24 178.25 3bdm h LYS 91 N -0.23 1.11 -0.28 3.56 1.57 -1.19 -1.11 116.57 119.99 3bdm h LYS 91 Ca -0.02 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3bdm h LYS 91 Cb 0.19 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3bdm h LYS 91 CO 0.03 0.73 0.07 0.77 -0.57 0.00 0.00 179.45 180.48 3bdm h SER 92 N 1.14 0.43 -0.74 0.86 0.02 -0.27 -0.96 113.55 114.03 3bdm h SER 92 Ca 0.42 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3bdm h SER 92 Cb 0.16 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3bdm h SER 92 CO -0.17 0.54 0.42 0.03 -1.14 0.00 0.00 176.83 176.51 3bdm h ARG 93 N 0.29 1.02 0.29 3.45 3.08 -0.40 -2.07 114.38 120.04 3bdm h ARG 93 Ca 0.09 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3bdm h ARG 93 Cb 0.28 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3bdm h ARG 93 CO 0.00 0.75 -0.14 -0.22 -1.07 0.00 0.00 179.97 179.29 3bdm h LYS 94 N 1.01 -0.37 -0.11 0.04 3.64 -1.03 -2.90 116.57 116.85 3bdm h LYS 94 Ca 0.26 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 3bdm h LYS 94 Cb 0.01 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3bdm h LYS 94 CO -0.04 -0.14 0.09 -0.24 -2.27 0.00 0.00 179.45 176.85 3bdm h VAL 95 N -0.55 0.73 0.00 2.00 3.04 -1.11 0.23 116.25 120.60 3bdm h VAL 95 Ca -0.04 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.59 3bdm h VAL 95 Cb 0.41 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 3bdm h VAL 95 CO 0.07 0.00 -0.28 0.00 -1.01 0.00 0.00 177.57 176.34 3bdm h ALA 96 N 1.91 1.40 0.00 3.17 0.00 -1.16 -1.77 119.26 122.81 3bdm h ALA 96 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3bdm h ALA 96 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3bdm h ALA 96 CO -0.00 0.35 -0.07 0.45 0.00 0.00 0.00 179.25 179.98 3bdm h HIS 97 N 0.00 0.00 -1.07 0.00 -0.00 -0.58 -2.41 115.15 111.09 3bdm h HIS 97 Ca -0.00 0.00 0.29 0.00 -0.00 0.00 0.00 60.37 60.66 3bdm h HIS 97 Cb 0.54 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 27.84 3bdm h HIS 97 CO 0.00 0.00 0.68 1.79 -0.00 0.00 0.00 177.93 180.40 3bdm h THR 98 N -0.22 0.45 -0.46 2.45 1.35 -1.12 -1.49 112.91 113.86 3bdm h THR 98 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3bdm h THR 98 Cb 0.07 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.53 3bdm h THR 98 CO 0.00 0.07 0.00 -1.20 -0.25 0.00 0.00 175.52 174.14 3bdm n SER 99 N -4.71 4.32 0.05 5.36 7.64 -0.67 -4.70 113.62 120.91 3bdm n SER 99 Ca 0.28 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.53 3bdm n SER 99 Cb 0.95 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 3bdm n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bdm n TYR 100 N 0.41 -2.96 -0.29 1.43 4.19 -0.70 -4.90 117.16 114.33 3bdm n TYR 100 Ca 0.22 0.34 0.08 0.00 3.31 0.00 0.00 57.90 61.85 3bdm n TYR 100 Cb 0.86 1.23 0.30 0.00 0.49 0.00 0.00 39.34 42.23 3bdm n TYR 100 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 3bdm h LYS 101 N 0.00 0.84 0.00 2.98 3.64 -1.21 0.20 116.57 123.01 3bdm h LYS 101 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3bdm h LYS 101 Cb 0.00 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3bdm h LYS 101 CO 0.00 0.55 0.00 0.54 -2.27 0.00 0.00 179.45 178.27 3bdm n ARG 102 N -4.55 0.11 -0.07 1.90 1.74 -0.65 -0.37 116.66 114.77 3bdm n ARG 102 Ca 0.16 0.14 -0.11 0.00 -0.77 0.00 0.00 57.85 57.26 3bdm n ARG 102 Cb 0.34 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.22 3bdm n ARG 102 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3bdm n ILE 10 N -1.42 0.83 0.66 0.55 5.41 0.40 -4.73 119.36 121.06 3bdm n ILE 10 Ca 0.07 -0.29 0.07 0.00 1.00 0.00 0.00 62.75 63.59 3bdm n ILE 10 Cb 0.20 -1.17 -0.05 0.00 -0.71 0.00 0.00 39.64 37.92 3bdm n ILE 10 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3bdm n TYR 103 N -3.09 0.00 -2.18 1.39 4.01 0.40 -4.99 117.16 112.70 3bdm n TYR 103 Ca -0.26 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.37 3bdm n TYR 103 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.78 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 1.24 -0.04 3.31 2.72 0.00 0.50 -5.01 105.19 107.91 3bdm n GLY 104 Ca 0.04 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 3bdm n GLY 104 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3bdm s GLU 105 N -4.50 0.82 0.44 1.61 -1.05 -1.25 -5.02 118.70 109.75 3bdm s GLU 105 Ca 0.00 -0.17 -0.23 0.00 -0.15 0.00 0.00 54.97 54.42 3bdm s GLU 105 Cb 0.00 0.37 -0.08 0.00 -0.44 0.00 0.00 34.13 33.98 3bdm s GLU 105 CO 0.00 -0.25 1.11 0.71 0.95 0.00 0.00 175.26 177.78 3bdm s TYR 106 N -1.67 3.03 0.84 4.83 2.02 -1.26 -2.97 117.35 122.17 3bdm s TYR 106 Ca -0.10 1.58 -0.11 0.00 -0.37 0.00 0.00 57.07 58.07 3bdm s TYR 106 Cb -0.03 -3.25 0.10 0.00 -0.40 0.00 0.00 41.96 38.38 3bdm s TYR 106 CO 0.03 -1.12 1.14 -1.25 -1.57 0.00 0.00 175.55 172.78 3bdm s PRO 107 N -2.69 1.57 0.22 -1.71 0.04 -1.26 -4.95 135.00 126.21 3bdm s PRO 107 Ca 0.62 1.45 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 3bdm s PRO 107 Cb -0.25 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3bdm s PRO 107 CO 0.30 -2.20 0.69 -1.25 0.04 0.00 0.00 177.00 174.57 3bdm s PRO 108 N -4.63 4.16 0.03 0.56 0.04 -1.26 -4.85 135.00 129.05 3bdm s PRO 108 Ca 0.66 0.76 -0.06 0.00 0.04 0.00 0.00 61.00 62.39 3bdm s PRO 108 Cb -0.22 -2.84 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 3bdm s PRO 108 CO 0.55 0.39 0.66 2.41 0.04 0.00 0.00 177.00 181.05 3bdm n THR 109 N 0.61 -0.14 -0.26 1.26 -1.04 -1.26 -1.05 114.28 112.40 3bdm n THR 109 Ca -0.02 1.01 0.05 0.00 -2.04 0.00 0.00 64.05 63.05 3bdm n THR 109 Cb 0.51 -1.30 0.15 0.00 -1.82 0.00 0.00 70.33 67.87 3bdm n THR 109 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 3bdm h LYS 110 N 0.00 0.07 -0.30 -2.82 2.10 -1.98 0.42 116.57 114.06 3bdm h LYS 110 Ca 0.03 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.63 3bdm h LYS 110 Cb 0.08 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 3bdm h LYS 110 CO -0.19 0.04 -0.01 -0.07 -2.00 0.00 0.00 179.45 177.22 3bdm h LEU 111 N 0.07 0.52 -0.84 7.07 3.38 -1.48 0.45 115.31 124.48 3bdm h LEU 111 Ca 0.41 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3bdm h LEU 111 Cb 0.71 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3bdm h LEU 111 CO -0.71 0.71 0.45 0.25 0.09 0.00 0.00 178.44 179.23 3bdm h LEU 112 N 0.32 1.06 -0.98 1.67 5.85 -0.87 0.16 115.31 122.51 3bdm h LEU 112 Ca 0.08 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3bdm h LEU 112 Cb 0.45 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3bdm h LEU 112 CO 0.02 0.86 0.38 0.58 -0.34 0.00 0.00 178.44 179.93 3bdm h VAL 113 N 1.17 1.24 -0.37 1.05 2.07 -0.59 -1.16 116.25 119.65 3bdm h VAL 113 Ca 0.29 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3bdm h VAL 113 Cb 0.05 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3bdm h VAL 113 CO -0.05 0.29 0.07 -1.28 0.02 0.00 0.00 177.57 176.62 3bdm h SER 114 N 1.10 0.51 -0.13 0.57 0.87 0.11 -1.56 113.55 115.02 3bdm h SER 114 Ca 0.27 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3bdm h SER 114 Cb 0.10 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3bdm h SER 114 CO -0.03 0.54 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.44 3bdm h GLU 115 N 0.54 0.25 -0.59 2.24 4.39 0.16 -2.39 114.58 119.19 3bdm h GLU 115 Ca 0.12 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.76 3bdm h GLU 115 Cb 0.25 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 3bdm h GLU 115 CO 0.00 0.54 0.35 0.28 -1.16 0.00 0.00 179.01 179.03 3bdm h VAL 116 N -0.05 1.05 -0.62 3.13 2.07 -1.08 -1.93 116.25 118.81 3bdm h VAL 116 Ca 0.03 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.38 3bdm h VAL 116 Cb 0.45 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 3bdm h VAL 116 CO 0.01 0.13 0.32 0.00 0.02 0.00 0.00 177.57 178.05 3bdm h ALA 117 N 1.27 0.83 -0.91 1.67 0.00 -1.25 -1.49 119.26 119.38 3bdm h ALA 117 Ca 0.24 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3bdm h ALA 117 Cb 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3bdm h ALA 117 CO -0.11 -0.03 0.59 -0.22 0.00 0.00 0.00 179.25 179.48 3bdm h LYS 118 N 0.59 1.14 0.28 0.00 3.64 -0.83 0.18 116.57 121.57 3bdm h LYS 118 Ca 0.29 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3bdm h LYS 118 Cb 0.22 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3bdm h LYS 118 CO -0.20 0.75 -0.23 0.82 -2.27 0.00 0.00 179.45 178.32 3bdm h ILE 119 N 1.17 0.50 -0.74 2.00 2.04 -0.77 -1.68 117.51 120.04 3bdm h ILE 119 Ca 0.35 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.23 3bdm h ILE 119 Cb -0.05 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 3bdm h ILE 119 CO -0.10 0.00 0.48 0.24 0.00 0.00 0.00 178.15 178.77 3bdm h MET 120 N -0.53 0.95 -1.01 2.37 2.86 -0.87 -2.46 114.93 116.23 3bdm h MET 120 Ca -0.02 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3bdm h MET 120 Cb 0.47 -0.21 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 3bdm h MET 120 CO -0.02 0.63 0.65 0.37 1.06 0.00 0.00 176.91 179.59 3bdm h GLN 121 N 0.98 1.12 -0.07 1.72 -0.00 -0.27 -0.96 115.11 117.63 3bdm h GLN 121 Ca 0.28 -0.07 -0.10 0.00 -0.00 0.00 0.00 58.65 58.76 3bdm h GLN 121 Cb -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 27.48 27.14 3bdm h GLN 121 CO -0.07 0.74 -0.40 0.93 0.00 0.00 0.00 178.83 180.03 3bdm h GLU 122 N 1.15 0.16 0.00 1.69 5.08 -0.88 -1.05 114.58 120.73 3bdm h GLU 122 Ca 0.44 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3bdm h GLU 122 Cb 0.21 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3bdm h GLU 122 CO -0.19 0.54 0.00 0.00 -1.00 0.00 0.00 179.01 178.36 3bdm n ALA 123 N -2.47 2.22 0.32 3.43 0.00 -0.38 0.04 120.51 123.66 3bdm n ALA 123 Ca -0.02 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.38 3bdm n ALA 123 Cb 0.46 -1.32 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 3bdm n ALA 123 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3bdm n THR 124 N -1.01 0.00 0.00 0.00 -1.04 -0.41 -3.00 114.28 108.82 3bdm n THR 124 Ca 0.14 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3bdm n THR 124 Cb 0.07 0.51 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 3bdm n THR 124 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3bdm n GLN 125 N -1.76 2.52 -0.55 -2.82 7.27 -0.70 -4.64 117.38 116.70 3bdm n GLN 125 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.77 3bdm n GLN 125 Cb 0.34 -0.65 0.23 0.00 2.41 0.00 0.00 30.24 32.57 3bdm n GLN 125 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3bdm n SER 126 N -0.72 -1.12 -4.81 1.69 7.64 0.11 -4.62 113.62 111.78 3bdm n SER 126 Ca 0.00 0.03 -0.34 0.00 1.01 0.00 0.00 58.87 59.57 3bdm n SER 126 Cb 0.08 -1.32 -0.06 0.00 -1.01 0.00 0.00 64.21 61.91 3bdm n SER 126 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3bdm s GLY 127 N -2.45 2.48 -1.51 0.23 0.00 -1.26 -4.31 107.32 100.50 3bdm s GLY 127 Ca 0.67 0.49 -0.13 0.00 0.00 0.00 0.00 44.72 45.75 3bdm s GLY 127 CO 0.63 0.80 0.85 0.61 0.00 0.00 0.00 173.10 175.99 3bdm n GLY 128 N -0.36 -0.49 3.21 0.20 0.00 0.75 -4.85 105.19 103.65 3bdm n GLY 128 Ca 0.07 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.22 0.13 0.25 1.61 -7.23 -1.26 -5.02 120.40 105.66 3bdm s VAL 129 Ca 0.61 -1.45 0.08 0.00 -1.81 0.00 0.00 61.98 59.40 3bdm s VAL 129 Cb -0.31 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 3bdm s VAL 129 CO 0.75 -0.60 0.11 0.00 -0.31 0.00 0.00 175.10 175.05 3bdm s ARG 130 N -3.92 2.68 1.15 4.82 1.70 -1.26 -4.40 118.95 119.72 3bdm s ARG 130 Ca 0.11 -1.17 -0.16 0.00 -0.47 0.00 0.00 55.73 54.04 3bdm s ARG 130 Cb 0.05 -2.42 0.26 0.00 -0.57 0.00 0.00 34.95 32.28 3bdm s ARG 130 CO -0.06 0.40 1.06 -2.14 -1.08 0.00 0.00 175.30 173.48 3bdm s PRO 131 N -3.70 -0.82 0.02 3.89 0.02 -1.16 -4.79 135.00 128.47 3bdm s PRO 131 Ca 0.32 0.34 -0.26 0.00 0.02 0.00 0.00 61.00 61.42 3bdm s PRO 131 Cb -0.08 -1.61 -0.05 0.00 0.02 0.00 0.00 34.50 32.79 3bdm s PRO 131 CO 0.23 -3.53 0.79 -0.06 -0.33 0.00 0.00 177.00 174.10 3bdm s PHE 132 N -2.79 3.70 -0.30 6.54 0.40 -1.26 -4.96 117.98 119.31 3bdm s PHE 132 Ca 0.68 1.48 -0.03 0.00 -0.60 0.00 0.00 56.93 58.46 3bdm s PHE 132 Cb -0.17 -2.87 0.02 0.00 0.51 0.00 0.00 43.02 40.52 3bdm s PHE 132 CO 0.59 0.20 2.75 0.41 0.70 0.00 0.00 175.22 179.87 3bdm n GLY 133 N 2.57 3.91 3.42 4.36 0.00 -1.26 -4.54 105.19 113.64 3bdm n GLY 133 Ca -0.01 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.44 0.03 0.01 1.61 -7.23 -1.26 -0.60 120.40 111.51 3bdm s VAL 134 Ca 0.51 -1.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.29 3bdm s VAL 134 Cb 0.32 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.23 3bdm s VAL 134 CO -0.12 -0.15 -0.09 -0.44 -0.31 0.00 0.00 175.10 174.00 3bdm s SER 135 N -3.00 1.01 0.09 4.85 0.01 -0.94 -3.55 113.70 112.17 3bdm s SER 135 Ca 0.21 -0.24 0.10 0.00 1.31 0.00 0.00 55.95 57.32 3bdm s SER 135 Cb 0.02 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 3bdm s SER 135 CO 0.04 0.04 -0.24 -0.76 0.41 0.00 0.00 173.24 172.73 3bdm s LEU 136 N -0.51 2.37 -0.31 2.44 1.43 -0.38 -2.82 118.68 120.91 3bdm s LEU 136 Ca 0.01 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3bdm s LEU 136 Cb -0.05 -1.33 0.07 0.00 0.03 0.00 0.00 46.19 44.91 3bdm s LEU 136 CO 0.00 0.21 0.00 -0.76 0.23 0.00 0.00 176.35 176.04 3bdm s LEU 137 N -1.73 4.05 -0.16 1.79 1.43 -0.07 -1.00 118.68 122.98 3bdm s LEU 137 Ca 0.14 -1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 51.67 3bdm s LEU 137 Cb -0.10 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3bdm s LEU 137 CO 0.05 -0.29 0.01 -0.63 0.23 0.00 0.00 176.35 175.72 3bdm s ILE 138 N 1.15 4.34 -0.01 -0.59 1.01 -0.16 -2.21 121.20 124.74 3bdm s ILE 138 Ca -0.03 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.48 3bdm s ILE 138 Cb -0.20 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 3bdm s ILE 138 CO -0.03 0.48 -0.16 0.00 0.00 0.00 0.00 174.94 175.23 3bdm s ALA 139 N 0.30 1.36 0.14 9.38 0.00 -0.24 -0.84 121.76 131.86 3bdm s ALA 139 Ca -0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 3bdm s ALA 139 Cb -0.13 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.70 3bdm s ALA 139 CO 0.02 0.33 0.61 0.41 0.00 0.00 0.00 175.76 177.12 3bdm n GLY 140 N 2.58 0.96 3.18 0.00 0.00 -0.83 -0.47 105.19 110.61 3bdm n GLY 140 Ca -0.15 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 3bdm n GLY 140 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3bdm s HIS 141 N -3.82 -0.33 0.01 1.61 5.65 -0.52 -1.07 115.29 116.83 3bdm s HIS 141 Ca 0.13 0.80 -0.01 0.00 0.25 0.00 0.00 55.06 56.23 3bdm s HIS 141 Cb -0.02 0.11 -0.01 0.00 -1.18 0.00 0.00 32.58 31.48 3bdm s HIS 141 CO 0.04 -0.16 0.01 0.16 -0.65 0.00 0.00 174.74 174.14 3bdm s ASP 142 N 0.23 0.13 0.34 9.88 1.47 -0.43 -4.82 116.67 123.47 3bdm s ASP 142 Ca -0.01 -0.30 0.14 0.00 1.18 0.00 0.00 52.55 53.56 3bdm s ASP 142 Cb -0.03 0.11 1.07 0.00 -0.34 0.00 0.00 42.92 43.73 3bdm s ASP 142 CO -0.00 -0.23 1.65 -0.08 0.68 0.00 0.00 175.17 177.19 3bdm h GLU 143 N 5.00 0.26 -0.02 2.11 4.81 -2.01 0.88 114.58 125.61 3bdm h GLU 143 Ca -0.30 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3bdm h GLU 143 Cb 1.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3bdm h GLU 143 CO 0.43 0.17 -0.09 1.19 -0.73 0.00 0.00 179.01 179.98 3bdm n PHE 144 N -5.10 0.00 -0.03 0.92 3.01 -1.26 -4.41 117.46 110.59 3bdm n PHE 144 Ca 0.31 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.77 3bdm n PHE 144 Cb 0.98 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.45 3bdm n PHE 144 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3bdm n ASN 145 N 0.72 0.05 0.00 4.37 3.02 -0.68 -5.12 115.26 117.61 3bdm n ASN 145 Ca 0.14 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 3bdm n ASN 145 Cb 0.50 0.61 0.00 0.00 -0.61 0.00 0.00 39.78 40.28 3bdm n ASN 145 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bdm n GLY 146 N 0.61 0.89 3.94 7.41 0.00 0.22 -4.79 105.19 113.46 3bdm n GLY 146 Ca 0.00 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 3bdm n GLY 146 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bdm s PHE 147 N 0.00 3.47 0.17 1.61 0.40 -1.26 -1.31 117.98 121.06 3bdm s PHE 147 Ca 0.00 0.10 -0.19 0.00 -0.60 0.00 0.00 56.93 56.25 3bdm s PHE 147 Cb 0.00 -1.65 0.04 0.00 0.51 0.00 0.00 43.02 41.92 3bdm s PHE 147 CO 0.00 0.51 0.52 -1.54 0.70 0.00 0.00 175.22 175.41 3bdm s SER 14 N -3.29 -0.34 -0.05 1.36 1.04 -0.23 -4.98 113.70 107.21 3bdm s SER 14 Ca 0.34 -0.31 -0.02 0.00 0.48 0.00 0.00 55.95 56.44 3bdm s SER 14 Cb -0.11 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.61 3bdm s SER 14 CO 0.28 -0.99 0.09 -0.22 0.98 0.00 0.00 173.24 173.38 3bdm s LEU 148 N -2.82 0.56 0.16 2.42 2.96 -1.26 -1.97 118.68 118.73 3bdm s LEU 148 Ca 0.05 0.17 0.07 0.00 -0.22 0.00 0.00 54.13 54.21 3bdm s LEU 148 Cb -0.00 0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.74 3bdm s LEU 148 CO -0.08 -0.18 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.32 3bdm s TYR 149 N 1.57 1.56 -0.07 5.38 2.02 -0.02 -1.10 117.35 126.69 3bdm s TYR 149 Ca -0.04 -0.57 0.04 0.00 -0.37 0.00 0.00 57.07 56.12 3bdm s TYR 149 Cb -0.12 -0.77 0.00 0.00 -0.40 0.00 0.00 41.96 40.67 3bdm s TYR 149 CO -0.04 0.24 -0.18 -1.14 -1.57 0.00 0.00 175.55 172.86 3bdm s GLN 150 N -3.16 2.12 -0.14 -0.62 0.74 -0.61 -0.98 119.66 117.01 3bdm s GLN 150 Ca 0.16 -0.62 0.02 0.00 0.05 0.00 0.00 55.36 54.96 3bdm s GLN 150 Cb -0.03 -1.72 0.01 0.00 1.10 0.00 0.00 33.01 32.37 3bdm s GLN 150 CO 0.05 0.16 -0.20 0.08 -0.55 0.00 0.00 175.29 174.82 3bdm s VAL 151 N 0.33 1.93 0.32 1.34 1.01 -0.17 -2.20 120.40 122.96 3bdm s VAL 151 Ca -0.12 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 60.98 3bdm s VAL 151 Cb -0.15 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3bdm s VAL 151 CO 0.05 0.52 0.51 -1.81 0.00 0.00 0.00 175.10 174.37 3bdm s ASP 152 N 0.97 6.30 0.56 3.32 -0.00 -0.20 -1.25 116.67 126.36 3bdm s ASP 152 Ca -0.04 0.37 0.27 0.00 -0.00 0.00 0.00 52.55 53.15 3bdm s ASP 152 Cb -0.15 -2.00 1.49 0.00 -0.00 0.00 0.00 42.92 42.26 3bdm s ASP 152 CO -0.04 -0.25 2.01 -0.65 -0.00 0.00 0.00 175.17 176.24 3bdm h PRO 153 N 0.84 0.00 0.00 8.23 0.11 -1.80 0.34 132.00 139.73 3bdm h PRO 153 Ca -0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3bdm h PRO 153 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3bdm h PRO 153 CO 0.61 0.00 -0.16 0.66 -0.21 0.00 0.00 178.00 178.90 3bdm h SER 154 N 0.00 0.00 0.00 -2.05 4.64 -1.90 -3.42 113.55 110.82 3bdm h SER 154 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3bdm h SER 154 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3bdm h SER 154 CO -0.00 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 3bdm n GLY 155 N -0.90 0.95 3.90 -0.77 0.00 0.12 -4.38 105.19 104.10 3bdm n GLY 155 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 3bdm n GLY 155 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bdm s SER 156 N -1.86 5.96 0.02 1.61 0.01 -1.24 -4.73 113.70 113.46 3bdm s SER 156 Ca 0.00 1.00 -0.26 0.00 1.31 0.00 0.00 55.95 57.99 3bdm s SER 156 Cb 0.00 -2.09 0.06 0.00 0.21 0.00 0.00 66.02 64.20 3bdm s SER 156 CO 0.00 -0.88 0.60 -0.72 0.41 0.00 0.00 173.24 172.65 3bdm s TYR 157 N -2.99 -0.54 0.05 2.43 -0.85 -1.26 -1.04 117.35 113.15 3bdm s TYR 157 Ca 0.52 0.74 -0.18 0.00 -0.52 0.00 0.00 57.07 57.63 3bdm s TYR 157 Cb -0.11 0.40 0.04 0.00 0.38 0.00 0.00 41.96 42.67 3bdm s TYR 157 CO 0.48 -0.65 0.42 -0.59 -1.52 0.00 0.00 175.55 173.68 3bdm s PHE 158 N -2.05 -0.27 0.32 -3.49 -0.12 -0.94 -4.95 117.98 106.48 3bdm s PHE 158 Ca -0.07 0.23 -0.16 0.00 -0.05 0.00 0.00 56.93 56.88 3bdm s PHE 158 Cb -0.01 0.23 -0.09 0.00 -0.63 0.00 0.00 43.02 42.52 3bdm s PHE 158 CO 0.02 -0.58 0.75 -1.25 -0.05 0.00 0.00 175.22 174.11 3bdm s PRO 159 N -2.51 4.05 0.03 1.99 0.04 -1.26 -1.57 135.00 135.77 3bdm s PRO 159 Ca -0.05 0.73 0.01 0.00 0.04 0.00 0.00 61.00 61.73 3bdm s PRO 159 Cb -0.01 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 3bdm s PRO 159 CO -0.03 0.17 -0.05 -1.58 0.04 0.00 0.00 177.00 175.55 3bdm s TRP 160 N -1.94 0.49 0.05 0.56 0.52 -0.26 -4.97 118.94 113.39 3bdm s TRP 160 Ca 0.53 -0.55 0.02 0.00 0.02 0.00 0.00 56.10 56.13 3bdm s TRP 160 Cb -0.11 -0.31 -0.25 0.00 -1.15 0.00 0.00 33.47 31.65 3bdm s TRP 160 CO 0.18 -0.14 1.03 0.87 0.02 0.00 0.00 176.95 178.90 3bdm h LYS 161 N 4.47 0.14 -1.74 4.98 1.57 -1.94 -3.39 116.57 120.66 3bdm h LYS 161 Ca -0.34 -0.23 0.14 0.00 -1.87 0.00 0.00 60.65 58.34 3bdm h LYS 161 Cb 1.20 0.09 -0.20 0.00 0.08 0.00 0.00 32.23 33.40 3bdm h LYS 161 CO 0.42 1.01 0.62 0.00 -0.57 0.00 0.00 179.45 180.93 3bdm s ALA 162 N -2.65 -1.94 -0.09 3.86 0.00 -1.26 0.07 121.76 119.75 3bdm s ALA 162 Ca -0.04 1.43 -0.33 0.00 0.00 0.00 0.00 51.96 53.02 3bdm s ALA 162 Cb 0.08 -0.27 0.14 0.00 0.00 0.00 0.00 23.12 23.06 3bdm s ALA 162 CO 0.84 -0.49 1.34 -0.08 0.00 0.00 0.00 175.76 177.37 3bdm s THR 163 N -2.04 0.00 0.07 0.00 -1.32 -0.28 -4.99 115.64 107.08 3bdm s THR 163 Ca 0.04 -0.11 -0.06 0.00 -1.21 0.00 0.00 61.69 60.35 3bdm s THR 163 Cb -0.01 -1.77 -0.02 0.00 -1.51 0.00 0.00 72.50 69.20 3bdm s THR 163 CO -0.04 0.00 0.11 0.00 -2.21 0.00 0.00 174.62 172.48 3bdm s ALA 164 N -2.26 0.07 0.13 11.08 0.00 -1.26 -0.55 121.76 128.97 3bdm s ALA 164 Ca 0.14 -0.85 -0.07 0.00 0.00 0.00 0.00 51.96 51.17 3bdm s ALA 164 Cb 0.04 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 3bdm s ALA 164 CO -0.05 -0.46 0.21 0.96 0.00 0.00 0.00 175.76 176.42 3bdm s ILE 165 N -3.89 0.10 0.00 0.00 -4.36 -0.46 -4.85 121.20 107.75 3bdm s ILE 165 Ca 0.06 -1.42 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 3bdm s ILE 165 Cb 0.06 -1.70 0.00 0.00 1.25 0.00 0.00 42.46 42.07 3bdm s ILE 165 CO -0.10 -0.46 0.00 0.61 0.24 0.00 0.00 174.94 175.22 3bdm n GLY 166 N -0.13 -1.87 0.00 6.27 0.00 -1.26 -1.94 105.19 106.26 3bdm n GLY 166 Ca -0.10 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3bdm n GLY 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bdm n LYS 167 N 0.00 0.00 -0.68 1.61 5.02 0.27 -2.50 118.16 121.88 3bdm n LYS 167 Ca 0.00 0.32 -0.11 0.00 -2.02 0.00 0.00 58.31 56.51 3bdm n LYS 167 Cb 0.00 -0.75 0.04 0.00 -0.02 0.00 0.00 35.03 34.29 3bdm n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bdm n GLY 168 N -0.70 3.42 0.15 0.72 0.00 -1.26 -4.51 105.19 103.00 3bdm n GLY 168 Ca 0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 3bdm n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bdm h SER 169 N 1.06 0.32 -0.11 1.61 4.64 -1.74 -0.74 113.55 118.58 3bdm h SER 169 Ca 0.21 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.57 3bdm h SER 169 Cb 1.13 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 63.09 3bdm h SER 169 CO 0.49 0.23 -0.25 0.58 -0.87 0.00 0.00 176.83 177.01 3bdm h VAL 170 N 0.39 0.41 0.37 0.95 2.07 -1.84 0.75 116.25 119.35 3bdm h VAL 170 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 3bdm h VAL 170 Cb -0.01 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3bdm h VAL 170 CO -0.05 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 177.34 3bdm h ALA 171 N 0.60 -0.53 -0.61 1.67 0.00 -1.89 -2.52 119.26 115.97 3bdm h ALA 171 Ca 0.09 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3bdm h ALA 171 Cb 0.47 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 3bdm h ALA 171 CO -0.30 -0.80 0.23 0.00 0.00 0.00 0.00 179.25 178.38 3bdm h ALA 172 N 0.09 0.79 0.09 0.00 0.00 -0.70 -1.32 119.26 118.21 3bdm h ALA 172 Ca -0.04 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3bdm h ALA 172 Cb 0.43 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3bdm h ALA 172 CO 0.06 -0.18 -0.16 0.87 0.00 0.00 0.00 179.25 179.84 3bdm h LYS 173 N 0.42 -0.30 -0.39 0.00 1.57 0.63 -0.65 116.57 117.85 3bdm h LYS 173 Ca 0.31 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.18 3bdm h LYS 173 Cb 0.37 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 3bdm h LYS 173 CO -0.30 -0.20 -0.06 1.15 -0.57 0.00 0.00 179.45 179.47 3bdm h THR 174 N -0.31 0.65 -0.97 -0.16 2.02 -0.98 0.44 112.91 113.60 3bdm h THR 174 Ca 0.02 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 67.25 3bdm h THR 174 Cb 0.33 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 3bdm h THR 174 CO -0.09 0.01 0.63 0.15 0.37 0.00 0.00 175.52 176.58 3bdm h PHE 175 N 0.04 1.15 -0.22 3.16 3.57 -0.82 -2.47 116.94 121.35 3bdm h PHE 175 Ca 0.19 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 3bdm h PHE 175 Cb 0.28 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 3bdm h PHE 175 CO -0.31 0.61 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.15 3bdm h LEU 176 N 1.13 0.52 -2.00 0.59 3.38 0.08 -2.66 115.31 116.36 3bdm h LEU 176 Ca 0.41 -0.44 0.18 0.00 0.09 0.00 0.00 57.88 58.12 3bdm h LEU 176 Cb 0.15 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3bdm h LEU 176 CO -0.16 0.84 0.48 -0.33 0.09 0.00 0.00 178.44 179.37 3bdm h GLU 177 N 0.19 0.00 0.00 1.13 5.08 -0.51 0.14 114.58 120.62 3bdm h GLU 177 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3bdm h GLU 177 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3bdm h GLU 177 CO 0.04 0.00 -0.06 0.87 -1.00 0.00 0.00 179.01 178.86 3bdm h LYS 178 N 0.00 0.03 0.00 2.33 1.57 -1.27 -3.37 116.57 115.87 3bdm h LYS 178 Ca 0.29 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.89 3bdm h LYS 178 Cb 1.24 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 3bdm h LYS 178 CO -0.00 0.88 -0.67 0.00 -0.57 0.00 0.00 179.45 179.09 3bdm h ARG 179 N -0.80 0.00 -6.94 3.15 2.47 -0.98 -3.47 114.38 107.82 3bdm h ARG 179 Ca -0.01 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.21 3bdm h ARG 179 Cb 0.91 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 29.26 3bdm h ARG 179 CO 0.01 0.67 0.47 -0.46 0.56 0.00 0.00 179.97 181.22 3bdm s TRP 180 N -2.92 3.18 0.20 3.04 -0.00 0.40 -5.05 118.94 117.80 3bdm s TRP 180 Ca 0.03 1.60 -0.14 0.00 -0.00 0.00 0.00 56.10 57.59 3bdm s TRP 180 Cb 0.09 -3.29 0.01 0.00 -0.00 0.00 0.00 33.47 30.28 3bdm s TRP 180 CO 0.77 -1.01 0.45 0.54 -0.00 0.00 0.00 176.95 177.70 3bdm s ASN 181 N -1.27 -0.14 -0.30 5.86 2.20 -1.26 -4.97 114.94 115.07 3bdm s ASN 181 Ca 0.56 -0.70 0.01 0.00 -0.94 0.00 0.00 52.86 51.79 3bdm s ASN 181 Cb -0.28 0.55 0.30 0.00 -2.00 0.00 0.00 41.25 39.81 3bdm s ASN 181 CO 0.35 -1.04 1.75 -0.90 -2.94 0.00 0.00 177.10 174.32 3bdm n ASP 182 N -0.32 5.00 0.00 3.54 3.85 -1.26 -3.71 116.55 123.65 3bdm n ASP 182 Ca -0.07 -3.00 0.00 0.00 -0.71 0.00 0.00 54.79 51.01 3bdm n ASP 182 Cb 0.62 -0.87 0.00 0.00 -1.35 0.00 0.00 41.12 39.53 3bdm n ASP 182 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3bdm n GLU 183 N -0.08 0.11 -2.16 0.11 1.02 -1.26 -4.95 120.64 113.44 3bdm n GLU 183 Ca 0.33 -0.53 -0.41 0.00 -0.02 0.00 0.00 57.16 56.53 3bdm n GLU 183 Cb 0.85 -0.52 -0.02 0.00 -0.02 0.00 0.00 31.44 31.73 3bdm n GLU 183 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3bdm s LEU 184 N -0.04 4.44 0.36 -4.62 1.43 -1.24 -4.89 118.68 114.12 3bdm s LEU 184 Ca 0.00 2.62 -0.02 0.00 -1.03 0.00 0.00 54.13 55.70 3bdm s LEU 184 Cb 0.00 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 3bdm s LEU 184 CO 0.00 -0.49 0.59 -0.70 0.23 0.00 0.00 176.35 175.98 3bdm s GLU 185 N -1.60 3.52 0.18 1.70 -6.30 -1.26 -0.70 118.70 114.25 3bdm s GLU 185 Ca 0.49 -0.17 -0.16 0.00 -2.50 0.00 0.00 54.97 52.63 3bdm s GLU 185 Cb -0.39 -2.61 0.15 0.00 0.00 0.00 0.00 34.13 31.29 3bdm s GLU 185 CO 0.50 0.10 1.65 1.25 0.02 0.00 0.00 175.26 178.78 3bdm h LEU 186 N 0.84 -0.48 -0.73 2.70 5.85 -1.91 -1.86 115.31 119.73 3bdm h LEU 186 Ca -0.49 0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.50 3bdm h LEU 186 Cb 1.21 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 42.47 3bdm h LEU 186 CO 0.62 -0.17 0.32 -0.33 -0.34 0.00 0.00 178.44 178.54 3bdm h GLU 187 N -0.01 0.49 -0.33 1.25 4.39 -1.97 -0.84 114.58 117.56 3bdm h GLU 187 Ca 0.24 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.96 3bdm h GLU 187 Cb 0.37 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 3bdm h GLU 187 CO -0.51 0.32 0.04 -0.44 -1.16 0.00 0.00 179.01 177.26 3bdm h ASP 188 N 0.50 -0.03 -0.56 1.42 3.45 -1.73 0.14 116.42 119.61 3bdm h ASP 188 Ca 0.38 0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.87 3bdm h ASP 188 Cb 0.51 0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.34 3bdm h ASP 188 CO -0.34 0.02 0.24 0.00 -1.57 0.00 0.00 179.24 177.58 3bdm h ALA 189 N 1.26 1.30 -0.45 3.45 0.00 -0.95 0.10 119.26 123.98 3bdm h ALA 189 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3bdm h ALA 189 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3bdm h ALA 189 CO -0.23 0.52 0.20 0.82 0.00 0.00 0.00 179.25 180.57 3bdm h ILE 190 N 0.85 1.19 0.68 0.00 2.04 -0.28 0.33 117.51 122.32 3bdm h ILE 190 Ca 0.20 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 3bdm h ILE 190 Cb 0.17 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3bdm h ILE 190 CO -0.02 0.21 -0.34 -0.74 0.00 0.00 0.00 178.15 177.26 3bdm h HIS 191 N 0.58 -0.88 -0.91 1.37 2.76 -0.41 -0.33 115.15 117.33 3bdm h HIS 191 Ca 0.15 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.47 3bdm h HIS 191 Cb 0.14 0.30 -0.10 0.00 1.55 0.00 0.00 27.41 29.30 3bdm h HIS 191 CO -0.01 -0.54 0.49 0.82 -1.30 0.00 0.00 177.93 177.39 3bdm h ILE 192 N -0.94 0.69 0.35 6.26 1.08 -0.62 -0.03 117.51 124.29 3bdm h ILE 192 Ca -0.09 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.15 3bdm h ILE 192 Cb 0.72 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 3bdm h ILE 192 CO 0.15 0.12 -0.27 0.00 -0.69 0.00 0.00 178.15 177.46 3bdm h ALA 193 N 1.61 -0.61 -0.92 1.87 0.00 0.08 0.12 119.26 121.41 3bdm h ALA 193 Ca 0.52 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.42 3bdm h ALA 193 Cb 0.79 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3bdm h ALA 193 CO -0.39 -0.86 0.59 -0.07 0.00 0.00 0.00 179.25 178.51 3bdm h LEU 194 N -0.61 0.83 0.78 0.00 3.38 0.10 -0.42 115.31 119.37 3bdm h LEU 194 Ca -0.03 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3bdm h LEU 194 Cb 0.53 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.14 3bdm h LEU 194 CO -0.01 0.49 -0.37 -0.07 0.09 0.00 0.00 178.44 178.57 3bdm h LEU 195 N 0.92 -0.89 -0.92 1.67 3.38 -0.44 -1.88 115.31 117.15 3bdm h LEU 195 Ca 0.43 0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.66 3bdm h LEU 195 Cb 0.41 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 41.27 3bdm h LEU 195 CO -0.19 -0.56 0.44 0.74 0.09 0.00 0.00 178.44 178.97 3bdm h THR 196 N -1.20 0.48 -0.61 0.22 2.02 -0.45 0.57 112.91 113.93 3bdm h THR 196 Ca -0.11 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 3bdm h THR 196 Cb 0.80 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3bdm h THR 196 CO 0.18 0.08 0.10 0.25 0.37 0.00 0.00 175.52 176.50 3bdm h LEU 197 N 0.43 0.95 -1.22 2.58 5.85 -1.01 -3.10 115.31 119.79 3bdm h LEU 197 Ca 0.59 -0.21 0.19 0.00 0.84 0.00 0.00 57.88 59.28 3bdm h LEU 197 Cb 1.13 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.82 3bdm h LEU 197 CO -0.52 0.95 0.61 0.50 -0.34 0.00 0.00 178.44 179.64 3bdm h LYS 198 N 0.94 0.62 -0.08 1.25 3.64 -0.02 -2.02 116.57 120.90 3bdm h LYS 198 Ca 0.19 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3bdm h LYS 198 Cb 0.41 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3bdm h LYS 198 CO 0.01 0.41 0.04 0.93 -2.27 0.00 0.00 179.45 178.57 3bdm h GLU 199 N 0.64 0.13 0.00 1.90 4.39 -1.57 -2.82 114.58 117.25 3bdm h GLU 199 Ca 0.53 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.21 3bdm h GLU 199 Cb 0.98 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 3bdm h GLU 199 CO -0.28 0.24 0.00 0.43 -1.16 0.00 0.00 179.01 178.23 3bdm n SER 200 N -4.94 0.40 -4.62 1.42 7.64 -0.80 -4.68 113.62 108.04 3bdm n SER 200 Ca -0.06 0.60 -0.40 0.00 1.01 0.00 0.00 58.87 60.02 3bdm n SER 200 Cb 0.11 -0.69 -0.07 0.00 -1.01 0.00 0.00 64.21 62.55 3bdm n SER 200 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3bdm s VAL 202 N -3.20 5.06 0.00 0.44 1.01 -0.92 -4.97 120.40 117.82 3bdm s VAL 202 Ca 0.05 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.94 3bdm s VAL 202 Cb 0.09 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3bdm s VAL 202 CO 0.33 0.08 0.08 -0.62 0.00 0.00 0.00 175.10 174.97 3bdm n GLU 203 N 5.51 0.00 0.00 2.72 4.71 -1.26 -4.96 120.64 127.36 3bdm n GLU 203 Ca -0.04 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.37 3bdm n GLU 203 Cb 0.50 -0.81 0.00 0.00 -1.01 0.00 0.00 31.44 30.11 3bdm n GLU 203 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3bdm n GLY 204 N 1.92 -1.53 3.79 0.62 0.00 -1.26 -4.97 105.19 103.76 3bdm n GLY 204 Ca 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 3bdm n GLY 204 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bdm s GLU 205 N 0.00 3.43 -0.36 1.61 0.41 -1.26 -5.04 118.70 117.49 3bdm s GLU 205 Ca 0.00 1.44 0.01 0.00 -0.41 0.00 0.00 54.97 56.01 3bdm s GLU 205 Cb 0.00 -2.03 0.15 0.00 -1.78 0.00 0.00 34.13 30.46 3bdm s GLU 205 CO 0.00 -0.75 0.27 0.12 -0.49 0.00 0.00 175.26 174.40 3bdm s PHE 206 N -2.02 0.42 0.33 1.61 5.36 -1.26 -4.93 117.98 117.49 3bdm s PHE 206 Ca 0.69 -1.42 -0.03 0.00 -0.96 0.00 0.00 56.93 55.21 3bdm s PHE 206 Cb -0.20 -0.75 -0.00 0.00 -0.34 0.00 0.00 43.02 41.73 3bdm s PHE 206 CO 0.28 -0.87 0.46 0.54 -1.46 0.00 0.00 175.22 174.16 3bdm s ASN 207 N 1.13 0.81 0.00 6.13 2.20 -1.26 -5.02 114.94 118.92 3bdm s ASN 207 Ca 0.18 -1.44 0.00 0.00 -0.94 0.00 0.00 52.86 50.67 3bdm s ASN 207 Cb -0.20 0.64 0.00 0.00 -2.00 0.00 0.00 41.25 39.70 3bdm s ASN 207 CO -0.01 -1.26 0.85 0.61 -2.94 0.00 0.00 177.10 174.35 3bdm n GLY 208 N -0.54 -0.35 0.64 0.45 0.00 -1.26 -1.07 105.19 103.06 3bdm n GLY 208 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3bdm n GLY 208 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bdm n ASP 209 N -1.35 2.30 0.00 1.61 8.00 -1.26 -4.28 116.55 121.57 3bdm n ASP 209 Ca 0.00 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 53.85 3bdm n ASP 209 Cb 0.02 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3bdm n ASP 209 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3bdm n THR 20 N 0.70 0.00 -4.62 -3.53 -2.24 -0.23 -4.92 114.28 99.44 3bdm n THR 20 Ca 0.10 -0.36 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 3bdm n THR 20 Cb 0.44 0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 69.49 3bdm n THR 20 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3bdm s ILE 210 N -0.86 3.54 -0.20 2.28 1.01 -0.72 0.19 121.20 126.44 3bdm s ILE 210 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3bdm s ILE 210 Cb 0.00 -2.49 0.03 0.00 0.01 0.00 0.00 42.46 40.01 3bdm s ILE 210 CO 0.00 0.55 -0.17 -0.70 0.00 0.00 0.00 174.94 174.62 3bdm s GLU 211 N -0.14 2.84 0.00 2.79 2.12 -0.90 -4.79 118.70 120.63 3bdm s GLU 211 Ca 0.01 -0.94 0.01 0.00 0.36 0.00 0.00 54.97 54.41 3bdm s GLU 211 Cb -0.13 -2.68 -0.01 0.00 0.26 0.00 0.00 34.13 31.57 3bdm s GLU 211 CO 0.03 -0.30 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.25 3bdm s LEU 212 N 1.26 2.05 0.07 2.70 0.20 -1.26 -1.64 118.68 122.05 3bdm s LEU 212 Ca 0.02 -0.15 0.01 0.00 0.69 0.00 0.00 54.13 54.70 3bdm s LEU 212 Cb -0.15 -0.14 -0.03 0.00 -0.43 0.00 0.00 46.19 45.44 3bdm s LEU 212 CO -0.10 -0.02 -0.06 0.00 -0.29 0.00 0.00 176.35 175.88 3bdm s ALA 213 N -0.33 0.68 0.09 5.97 0.00 -0.48 -1.15 121.76 126.54 3bdm s ALA 213 Ca -0.01 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 50.91 3bdm s ALA 213 Cb -0.03 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 3bdm s ALA 213 CO -0.00 -0.20 -0.15 0.96 0.00 0.00 0.00 175.76 176.36 3bdm s ILE 214 N -2.89 1.29 -0.57 0.00 -4.36 -0.04 -1.38 121.20 113.25 3bdm s ILE 214 Ca 0.02 -1.46 -0.01 0.00 -0.26 0.00 0.00 60.65 58.94 3bdm s ILE 214 Cb 0.00 -1.29 0.15 0.00 1.25 0.00 0.00 42.46 42.57 3bdm s ILE 214 CO -0.04 -0.24 0.36 -0.63 0.24 0.00 0.00 174.94 174.63 3bdm s ILE 215 N -1.49 3.36 0.00 8.37 1.09 -0.08 -0.46 121.20 131.99 3bdm s ILE 215 Ca 0.03 -2.94 0.00 0.00 -1.10 0.00 0.00 60.65 56.64 3bdm s ILE 215 Cb -0.09 -3.24 0.00 0.00 -1.06 0.00 0.00 42.46 38.08 3bdm s ILE 215 CO 0.03 -0.83 0.00 0.61 -0.10 0.00 0.00 174.94 174.65 3bdm n GLY 216 N 3.53 1.48 3.94 6.18 0.00 -0.40 -2.04 105.19 117.88 3bdm n GLY 216 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3bdm n GLY 216 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bdm s ASP 217 N 0.47 5.05 0.09 1.61 1.01 -1.26 -4.78 116.67 118.85 3bdm s ASP 217 Ca 0.00 0.33 -0.31 0.00 0.71 0.00 0.00 52.55 53.28 3bdm s ASP 217 Cb 0.00 -1.09 -0.07 0.00 1.01 0.00 0.00 42.92 42.76 3bdm s ASP 217 CO 0.00 -1.39 1.35 -1.61 0.21 0.00 0.00 175.17 173.73 3bdm s GLU 21 N -5.06 4.34 -0.90 8.23 2.02 -1.26 -4.16 118.70 121.90 3bdm s GLU 21 Ca 0.58 2.00 -0.13 0.00 0.02 0.00 0.00 54.97 57.44 3bdm s GLU 21 Cb -0.11 -3.30 0.23 0.00 0.10 0.00 0.00 34.13 31.05 3bdm s GLU 21 CO 0.43 -0.41 0.87 -0.80 0.02 0.00 0.00 175.26 175.36 3bdm s ASN 21 N 1.18 6.90 0.41 -0.19 0.01 -0.28 -4.87 114.94 118.10 3bdm s ASN 21 Ca 0.63 -2.90 0.08 0.00 -0.71 0.00 0.00 52.86 49.96 3bdm s ASN 21 Cb -0.35 -2.22 0.86 0.00 0.41 0.00 0.00 41.25 39.95 3bdm s ASN 21 CO 0.30 -0.52 2.04 1.55 -1.51 0.00 0.00 177.10 178.96 3bdm h PRO 21 N 7.53 0.56 -1.99 -0.60 0.13 -1.79 -3.26 132.00 132.58 3bdm h PRO 21 Ca 0.13 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3bdm h PRO 21 Cb 1.00 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3bdm h PRO 21 CO 0.83 0.37 0.00 -0.40 -0.23 0.00 0.00 178.00 178.57 3bdm n ASP 21 N -4.47 0.42 0.00 1.44 5.75 -1.26 -4.46 116.55 113.97 3bdm n ASP 21 Ca 0.05 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 3bdm n ASP 21 Cb 0.11 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3bdm n ASP 21 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3bdm n LEU 21 N 1.87 0.00 0.00 -2.12 7.94 -1.23 -5.03 117.00 118.43 3bdm n LEU 21 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3bdm n LEU 21 Cb 0.04 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.99 3bdm n LEU 21 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 3bdm n GLY 21 N 0.00 0.88 3.43 -3.96 0.00 -1.26 -5.04 105.19 99.24 3bdm n GLY 21 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3bdm n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bdm s TYR 21 N -2.20 -0.16 0.15 1.61 1.13 -1.26 -5.19 117.35 111.43 3bdm s TYR 21 Ca 0.00 -0.17 0.01 0.00 -1.41 0.00 0.00 57.07 55.50 3bdm s TYR 21 Cb 0.00 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 41.15 3bdm s TYR 21 CO 0.00 -0.82 0.01 0.95 -2.51 0.00 0.00 175.55 173.18 3bdm s THR 21 N -3.84 0.53 0.00 -3.49 -4.23 -1.26 -4.92 115.64 98.42 3bdm s THR 21 Ca 0.07 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 3bdm s THR 21 Cb 0.00 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.80 3bdm s THR 21 CO -0.07 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 3bdm n GLY 21 N -0.18 1.33 2.53 3.99 0.00 -1.26 -5.07 105.19 106.53 3bdm n GLY 21 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 3bdm n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdm s ILE 21 N -2.00 0.65 0.07 -0.61 1.01 -1.26 -5.04 121.20 114.02 3bdm s ILE 21 Ca 0.00 -2.33 -0.13 0.00 0.00 0.00 0.00 60.65 58.19 3bdm s ILE 21 Cb 0.00 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 3bdm s ILE 21 CO 0.00 -1.04 0.67 -2.65 0.00 0.00 0.00 174.94 171.92 3bdm n PRO 21 N 3.46 -0.19 0.30 2.79 -0.02 -1.26 -0.29 135.00 139.80 3bdm n PRO 21 Ca 0.17 0.66 0.18 0.00 -2.02 0.00 0.00 63.50 62.49 3bdm n PRO 21 Cb 0.39 -0.97 1.01 0.00 -0.02 0.00 0.00 33.50 33.91 3bdm n PRO 21 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3bdm h THR 21 N 0.00 0.33 -2.98 3.45 1.35 -2.07 -3.38 112.91 109.61 3bdm h THR 21 Ca 0.07 0.00 -0.63 0.00 -0.55 0.00 0.00 66.41 65.30 3bdm h THR 21 Cb 0.17 0.97 -0.14 0.00 -1.73 0.00 0.00 68.15 67.43 3bdm h THR 21 CO -0.40 0.00 0.49 -1.81 -0.25 0.00 0.00 175.52 173.55 3bdm s ASP 21 N -5.73 6.26 0.00 5.36 -0.00 0.61 -4.89 116.67 118.27 3bdm s ASP 21 Ca -0.05 -0.69 0.22 0.00 -0.00 0.00 0.00 52.55 52.04 3bdm s ASP 21 Cb 0.14 -2.41 -0.01 0.00 -0.00 0.00 0.00 42.92 40.64 3bdm s ASP 21 CO 0.49 -1.27 1.07 0.29 -0.00 0.00 0.00 175.17 175.75 3bdm n LYS 21 N 7.39 0.71 0.00 8.23 5.02 -1.26 -4.86 118.16 133.39 3bdm n LYS 21 Ca -0.02 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.70 3bdm n LYS 21 Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3bdm n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bdm n GLY 218 N 1.45 2.75 3.77 0.72 0.00 -1.26 -2.38 105.19 110.23 3bdm n GLY 218 Ca 0.07 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 3bdm n GLY 218 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bdm s PRO 219 N -3.17 4.30 0.14 1.61 0.04 -1.25 -4.10 135.00 132.56 3bdm s PRO 219 Ca 0.00 1.93 0.17 0.00 0.04 0.00 0.00 61.00 63.14 3bdm s PRO 219 Cb 0.00 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.56 3bdm s PRO 219 CO 0.00 -0.14 1.03 0.00 0.04 0.00 0.00 177.00 177.93 3bdm h ARG 220 N 3.15 0.00 -6.34 4.56 3.08 -1.50 -0.72 114.38 116.62 3bdm h ARG 220 Ca -0.48 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.02 3bdm h ARG 220 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 3bdm h ARG 220 CO 0.64 0.31 0.60 0.12 -1.07 0.00 0.00 179.97 180.57 3bdm s PHE 221 N -2.99 3.37 -0.10 3.04 5.36 -0.94 -1.28 117.98 124.45 3bdm s PHE 221 Ca -0.01 1.38 -0.04 0.00 -0.96 0.00 0.00 56.93 57.31 3bdm s PHE 221 Cb 0.08 -3.33 0.05 0.00 -0.34 0.00 0.00 43.02 39.49 3bdm s PHE 221 CO 0.79 -0.87 0.20 0.50 -1.46 0.00 0.00 175.22 174.38 3bdm s ARG 222 N 1.82 0.09 0.18 10.12 3.52 0.39 -4.99 118.95 130.08 3bdm s ARG 222 Ca 0.54 0.59 -0.28 0.00 -0.13 0.00 0.00 55.73 56.45 3bdm s ARG 222 Cb -0.23 -0.17 -0.08 0.00 -1.56 0.00 0.00 34.95 32.91 3bdm s ARG 222 CO 0.23 -0.27 0.89 0.21 -0.81 0.00 0.00 175.30 175.55 3bdm s LYS 223 N 2.08 4.72 0.49 5.12 2.20 -1.26 -0.86 119.74 132.23 3bdm s LYS 223 Ca -0.00 1.36 -0.12 0.00 -0.36 0.00 0.00 55.97 56.85 3bdm s LYS 223 Cb -0.12 -3.30 -0.06 0.00 -1.51 0.00 0.00 37.83 32.84 3bdm s LYS 223 CO -0.07 0.45 0.88 -0.51 -0.36 0.00 0.00 175.35 175.74 3bdm s LEU 224 N -0.83 3.63 0.34 5.43 1.43 -0.30 -4.95 118.68 123.43 3bdm s LEU 224 Ca 0.41 1.29 -0.05 0.00 -1.03 0.00 0.00 54.13 54.74 3bdm s LEU 224 Cb -0.24 -4.23 -0.05 0.00 0.03 0.00 0.00 46.19 41.70 3bdm s LEU 224 CO 0.29 -0.56 0.62 0.42 0.23 0.00 0.00 176.35 177.35 3bdm s THR 225 N -2.64 4.98 0.23 5.49 -4.23 -1.26 -4.78 115.64 113.42 3bdm s THR 225 Ca 0.54 0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 61.03 3bdm s THR 225 Cb -0.10 -3.77 0.28 0.00 1.34 0.00 0.00 72.50 70.25 3bdm s THR 225 CO 0.37 -0.45 1.61 -1.28 -0.54 0.00 0.00 174.62 174.33 3bdm h SER 226 N 1.30 -0.61 0.02 3.99 0.87 -1.94 -0.01 113.55 117.16 3bdm h SER 226 Ca -0.48 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 3bdm h SER 226 Cb 1.20 0.43 -0.01 0.00 -0.44 0.00 0.00 62.40 63.58 3bdm h SER 226 CO 0.64 -0.23 -0.04 -0.61 -0.53 0.00 0.00 176.83 176.07 3bdm h GLN 227 N 0.02 -0.08 -0.92 2.24 5.75 -1.94 -2.59 115.11 117.59 3bdm h GLN 227 Ca 0.35 0.01 0.18 0.00 -0.15 0.00 0.00 58.65 59.05 3bdm h GLN 227 Cb 0.56 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.05 3bdm h GLN 227 CO -0.72 -0.05 0.59 0.93 -2.65 0.00 0.00 178.83 176.92 3bdm h GLU 228 N -0.08 0.53 0.55 1.69 5.08 -1.42 -2.33 114.58 118.60 3bdm h GLU 228 Ca 0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3bdm h GLU 228 Cb 0.09 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.23 3bdm h GLU 228 CO -0.03 0.35 -0.26 0.82 -1.00 0.00 0.00 179.01 178.89 3bdm h ILE 229 N 0.55 0.25 -0.45 3.13 2.04 -0.92 -3.23 117.51 118.88 3bdm h ILE 229 Ca 0.48 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 66.02 3bdm h ILE 229 Cb 1.00 0.35 -0.09 0.00 -0.74 0.00 0.00 36.82 37.34 3bdm h ILE 229 CO -0.22 0.04 -0.18 0.78 0.00 0.00 0.00 178.15 178.57 3bdm h ASN 230 N -1.07 -0.62 -1.08 1.72 2.35 -1.15 0.44 115.58 116.16 3bdm h ASN 230 Ca -0.08 0.16 0.29 0.00 -0.55 0.00 0.00 56.30 56.13 3bdm h ASN 230 Cb 0.63 0.36 -0.09 0.00 0.05 0.00 0.00 38.32 39.27 3bdm h ASN 230 CO 0.12 -0.21 0.72 0.44 -1.65 0.00 0.00 177.43 176.85 3bdm h ASP 231 N -0.08 0.33 0.73 5.81 3.32 -1.52 0.59 116.42 125.60 3bdm h ASP 231 Ca 0.22 0.07 -0.26 0.00 0.02 0.00 0.00 57.03 57.08 3bdm h ASP 231 Cb 0.42 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3bdm h ASP 231 CO -0.51 0.05 -1.27 0.03 -1.72 0.00 0.00 179.24 175.82 3bdm h ARG 232 N 0.28 0.10 0.00 3.56 3.08 -1.01 -3.25 114.38 117.15 3bdm h ARG 232 Ca 0.60 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.47 3bdm h ARG 232 Cb 1.74 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.85 3bdm h ARG 232 CO -0.24 0.99 0.00 -0.07 -1.07 0.00 0.00 179.97 179.58 3bdm h LEU 233 N 0.03 0.00 0.08 3.04 3.38 0.19 -0.95 115.31 121.08 3bdm h LEU 233 Ca -0.13 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.58 3bdm h LEU 233 Cb 1.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 3bdm h LEU 233 CO 0.14 0.00 -1.23 -0.33 0.09 0.00 0.00 178.44 177.12 3bdm h GLU 234 N 0.00 0.17 -0.28 1.13 5.08 -1.40 -3.15 114.58 116.13 3bdm h GLU 234 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3bdm h GLU 234 Cb 0.01 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3bdm h GLU 234 CO 0.00 1.10 0.00 0.00 -1.00 0.00 0.00 179.01 179.11 3bdm n ALA 235 N -2.49 2.47 0.00 3.43 0.00 -0.42 -5.15 120.51 118.35 3bdm n ALA 235 Ca -0.07 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3bdm n ALA 235 Cb 1.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.43 3bdm n ALA 235 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39