#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibd n LYS 29 N 0.00 0.00 -2.36 1.61 4.81 -1.25 -4.50 118.16 116.47 3ibd n LYS 29 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 3ibd n LYS 29 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 3ibd n LYS 29 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3ibd s LEU 30 N 0.00 4.40 0.61 3.14 2.01 -1.26 -0.31 118.68 127.26 3ibd s LEU 30 Ca 0.00 2.36 -0.19 0.00 0.01 0.00 0.00 54.13 56.31 3ibd s LEU 30 Cb 0.00 -3.78 -0.03 0.00 0.01 0.00 0.00 46.19 42.39 3ibd s LEU 30 CO 0.00 -0.39 1.30 -2.84 1.01 0.00 0.00 176.35 175.43 3ibd s PRO 31 N -1.83 2.81 0.91 1.29 0.02 -1.26 -4.93 135.00 132.01 3ibd s PRO 31 Ca 0.50 2.08 -0.12 0.00 0.02 0.00 0.00 61.00 63.48 3ibd s PRO 31 Cb -0.32 -1.99 0.14 0.00 0.02 0.00 0.00 34.50 32.34 3ibd s PRO 31 CO 0.42 -1.40 1.10 -1.25 -0.33 0.00 0.00 177.00 175.53 3ibd s PRO 32 N -3.22 1.15 0.00 5.54 0.04 -1.26 -4.13 135.00 133.12 3ibd s PRO 32 Ca 0.78 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.52 3ibd s PRO 32 Cb -0.37 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3ibd s PRO 32 CO 0.41 -2.28 0.00 0.41 0.04 0.00 0.00 177.00 175.58 3ibd n GLY 33 N -1.29 -0.81 3.76 0.56 0.00 -1.26 -0.75 105.19 105.39 3ibd n GLY 33 Ca 0.07 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 3ibd n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ibd s PRO 34 N -2.00 3.40 -0.11 1.61 0.04 -1.25 -4.94 135.00 131.75 3ibd s PRO 34 Ca 0.00 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 3ibd s PRO 34 Cb 0.00 -2.33 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 3ibd s PRO 34 CO 0.00 -0.92 1.38 -0.98 0.04 0.00 0.00 177.00 176.52 3ibd s ARG 35 N -2.81 4.23 0.42 4.56 3.03 -1.26 -4.87 118.95 122.24 3ibd s ARG 35 Ca 0.68 1.84 -0.07 0.00 2.03 0.00 0.00 55.73 60.21 3ibd s ARG 35 Cb -0.36 -3.78 -0.05 0.00 -1.03 0.00 0.00 34.95 29.73 3ibd s ARG 35 CO 0.42 -0.71 0.73 -1.25 -1.13 0.00 0.00 175.30 173.37 3ibd s PRO 36 N 3.41 3.64 0.18 3.89 0.04 -1.26 -4.85 135.00 140.04 3ibd s PRO 36 Ca 0.61 0.23 -0.13 0.00 0.04 0.00 0.00 61.00 61.75 3ibd s PRO 36 Cb -0.26 -2.44 -0.07 0.00 0.04 0.00 0.00 34.50 31.77 3ibd s PRO 36 CO 0.21 -0.06 0.55 -0.51 0.04 0.00 0.00 177.00 177.23 3ibd s LEU 37 N -4.21 4.28 0.21 -3.56 1.43 -0.01 -4.92 118.68 111.89 3ibd s LEU 37 Ca 0.48 1.03 -0.17 0.00 -1.03 0.00 0.00 54.13 54.43 3ibd s LEU 37 Cb -0.10 -3.42 0.21 0.00 0.03 0.00 0.00 46.19 42.90 3ibd s LEU 37 CO 0.37 0.04 1.58 -0.65 0.23 0.00 0.00 176.35 177.92 3ibd h PRO 38 N 3.20 -0.08 0.00 1.29 0.11 -1.97 0.12 132.00 134.67 3ibd h PRO 38 Ca -0.48 0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.36 3ibd h PRO 38 Cb 1.18 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3ibd h PRO 38 CO 0.67 -0.05 -2.19 1.28 -0.21 0.00 0.00 178.00 177.50 3ibd n LEU 39 N -5.47 0.13 0.01 2.35 4.32 -1.26 -4.51 117.00 112.57 3ibd n LEU 39 Ca 0.07 0.06 0.12 0.00 -0.02 0.00 0.00 56.01 56.24 3ibd n LEU 39 Cb 0.38 0.35 0.23 0.00 -1.62 0.00 0.00 43.42 42.75 3ibd n LEU 39 CO -0.04 0.37 0.42 0.18 -1.22 0.00 0.00 177.39 177.10 3ibd n LEU 40 N -2.69 0.53 0.00 2.23 4.77 -1.18 -4.32 117.00 116.35 3ibd n LEU 40 Ca -0.24 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3ibd n LEU 40 Cb 1.01 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 3ibd n LEU 40 CO 0.44 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3ibd n GLY 41 N 1.46 3.25 1.83 -0.72 0.00 0.40 -1.89 105.19 109.52 3ibd n GLY 41 Ca 0.05 0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 3ibd n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ibd n ASN 42 N 4.28 4.52 -0.22 1.61 4.13 -0.51 -0.83 115.26 128.23 3ibd n ASN 42 Ca 0.00 -3.27 0.03 0.00 1.68 0.00 0.00 54.58 53.03 3ibd n ASN 42 Cb 0.00 -0.72 0.14 0.00 -1.54 0.00 0.00 39.78 37.66 3ibd n ASN 42 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3ibd h LEU 43 N 2.39 -0.00 -0.53 3.41 5.85 -1.61 -1.30 115.31 123.53 3ibd h LEU 43 Ca 0.25 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.10 3ibd h LEU 43 Cb 2.21 0.18 0.00 0.00 0.37 0.00 0.00 40.66 43.42 3ibd h LEU 43 CO 0.67 -0.02 0.00 0.18 -0.34 0.00 0.00 178.44 178.94 3ibd n LEU 44 N -5.15 0.73 -0.58 2.25 4.77 -1.26 -1.47 117.00 116.29 3ibd n LEU 44 Ca 0.12 0.65 0.14 0.00 -0.03 0.00 0.00 56.01 56.88 3ibd n LEU 44 Cb 0.39 -0.51 0.43 0.00 -2.33 0.00 0.00 43.42 41.41 3ibd n LEU 44 CO 0.15 -0.47 0.82 0.00 -1.33 0.00 0.00 177.39 176.56 3ibd n GLN 45 N -2.27 1.81 -2.01 3.23 6.02 -0.51 -4.97 117.38 118.68 3ibd n GLN 45 Ca 0.03 -1.17 -0.32 0.00 -0.01 0.00 0.00 57.00 55.53 3ibd n GLN 45 Cb 0.29 -1.47 0.01 0.00 1.02 0.00 0.00 30.24 30.08 3ibd n GLN 45 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3ibd s MET 46 N -1.99 3.47 -0.08 -1.09 -1.94 -0.54 -5.01 119.30 112.12 3ibd s MET 46 Ca 0.36 0.99 -0.28 0.00 -1.71 0.00 0.00 55.69 55.05 3ibd s MET 46 Cb 0.21 -2.06 -0.02 0.00 2.01 0.00 0.00 34.83 34.96 3ibd s MET 46 CO 0.33 -0.67 0.91 0.34 -0.01 0.00 0.00 175.02 175.91 3ibd s ASP 47 N -3.35 7.18 0.34 3.03 -1.08 -1.26 -4.94 116.67 116.59 3ibd s ASP 47 Ca 0.59 1.44 0.25 0.00 -0.52 0.00 0.00 52.55 54.31 3ibd s ASP 47 Cb -0.13 -2.51 1.21 0.00 -1.46 0.00 0.00 42.92 40.03 3ibd s ASP 47 CO 0.42 -0.32 1.76 0.08 0.52 0.00 0.00 175.17 177.63 3ibd h ARG 48 N 6.99 0.00 -0.00 4.34 0.11 -1.95 -2.16 114.38 121.70 3ibd h ARG 48 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 3ibd h ARG 48 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3ibd h ARG 48 CO 0.80 0.00 -0.17 2.89 0.10 0.00 0.00 179.97 183.59 3ibd n ARG 49 N -2.37 0.38 0.00 0.08 1.85 -1.26 -5.02 116.66 110.33 3ibd n ARG 49 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 3ibd n ARG 49 Cb 0.13 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.04 3ibd n ARG 49 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ibd n GLY 50 N 1.38 1.96 0.06 2.89 0.00 -0.81 -4.93 105.19 105.74 3ibd n GLY 50 Ca 0.11 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 3ibd n GLY 50 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ibd h LEU 51 N 0.00 0.06 -0.21 0.99 3.38 -1.85 -1.68 115.31 115.99 3ibd h LEU 51 Ca 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3ibd h LEU 51 Cb 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3ibd h LEU 51 CO 0.00 0.15 0.13 0.25 0.09 0.00 0.00 178.44 179.06 3ibd h LEU 52 N -0.05 0.25 -0.80 1.67 5.85 -1.90 -0.16 115.31 120.17 3ibd h LEU 52 Ca 0.01 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3ibd h LEU 52 Cb 0.11 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3ibd h LEU 52 CO -0.00 0.21 0.51 0.50 -0.34 0.00 0.00 178.44 179.32 3ibd h LYS 53 N 0.26 1.06 -0.53 1.25 3.11 -1.91 -1.09 116.57 118.72 3ibd h LYS 53 Ca 0.08 -0.08 0.07 0.00 -2.81 0.00 0.00 60.65 57.91 3ibd h LYS 53 Cb 0.00 -0.23 -0.06 0.00 -1.00 0.00 0.00 32.23 30.94 3ibd h LYS 53 CO -0.01 0.72 0.20 0.77 -2.81 0.00 0.00 179.45 178.31 3ibd h SER 54 N 1.08 0.21 0.12 4.20 0.02 -0.67 -2.53 113.55 115.99 3ibd h SER 54 Ca 0.29 0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 61.13 3ibd h SER 54 Cb -0.09 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 3ibd h SER 54 CO -0.06 0.14 -0.64 -0.26 -1.14 0.00 0.00 176.83 174.87 3ibd h PHE 55 N 0.38 0.64 -0.03 3.45 0.04 -0.33 -2.28 116.94 118.81 3ibd h PHE 55 Ca 0.25 -0.26 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 3ibd h PHE 55 Cb 0.27 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3ibd h PHE 55 CO -0.16 1.00 -0.24 -0.07 -0.60 0.00 0.00 178.31 178.24 3ibd h LEU 56 N 0.36 0.05 -0.12 1.54 3.38 -1.13 -0.34 115.31 119.05 3ibd h LEU 56 Ca -0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3ibd h LEU 56 Cb 1.20 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.94 3ibd h LEU 56 CO 0.12 0.29 -0.46 -0.09 0.09 0.00 0.00 178.44 178.39 3ibd h ARG 57 N 0.05 0.52 -0.91 1.13 2.43 -1.10 -2.78 114.38 113.72 3ibd h ARG 57 Ca 0.01 -0.40 0.11 0.00 -0.81 0.00 0.00 59.98 58.89 3ibd h ARG 57 Cb 0.45 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 3ibd h ARG 57 CO 0.03 1.02 0.58 0.74 -1.51 0.00 0.00 179.97 180.84 3ibd h PHE 58 N 0.13 0.94 -0.58 2.20 0.04 -1.19 -2.77 116.94 115.71 3ibd h PHE 58 Ca -0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 3ibd h PHE 58 Cb 1.09 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.91 3ibd h PHE 58 CO 0.11 0.40 0.20 -0.09 -0.60 0.00 0.00 178.31 178.33 3ibd h ARG 59 N 0.85 0.86 -0.25 1.51 2.43 -0.95 0.27 114.38 119.08 3ibd h ARG 59 Ca 0.44 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 3ibd h ARG 59 Cb 0.51 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3ibd h ARG 59 CO -0.20 0.73 -0.09 0.93 -1.51 0.00 0.00 179.97 179.83 3ibd h GLU 60 N 0.84 0.41 0.16 0.20 5.08 -1.21 0.76 114.58 120.82 3ibd h GLU 60 Ca 0.19 -0.10 -0.36 0.00 -1.00 0.00 0.00 59.36 58.10 3ibd h GLU 60 Cb 0.22 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3ibd h GLU 60 CO -0.01 0.51 -1.86 -0.22 -1.00 0.00 0.00 179.01 176.43 3ibd h LYS 61 N 0.39 0.33 -0.00 2.33 3.64 -1.40 -3.41 116.57 118.45 3ibd h LYS 61 Ca 0.08 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3ibd h LYS 61 Cb 0.40 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3ibd h LYS 61 CO 0.02 1.27 -0.56 0.66 -2.27 0.00 0.00 179.45 178.57 3ibd n TYR 62 N -3.54 0.00 -2.38 1.91 4.02 0.90 -5.10 117.16 112.97 3ibd n TYR 62 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 3ibd n TYR 62 Cb 1.06 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.38 3ibd n TYR 62 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ibd n GLY 63 N 1.27 -1.52 0.02 2.72 0.00 0.25 -4.60 105.19 103.33 3ibd n GLY 63 Ca 0.03 -1.57 0.14 0.00 0.00 0.00 0.00 46.02 44.61 3ibd n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ibd n ASP 64 N 0.06 0.20 -3.71 1.61 8.00 -1.26 -4.51 116.55 116.93 3ibd n ASP 64 Ca 0.00 0.44 -0.23 0.00 0.71 0.00 0.00 54.79 55.70 3ibd n ASP 64 Cb 0.00 -0.46 -0.17 0.00 -0.02 0.00 0.00 41.12 40.46 3ibd n ASP 64 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ibd s VAL 65 N -3.02 0.19 0.16 2.53 1.01 -1.26 -1.34 120.40 118.67 3ibd s VAL 65 Ca 0.13 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 3ibd s VAL 65 Cb 0.18 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 36.10 3ibd s VAL 65 CO 0.56 0.10 0.47 0.72 0.00 0.00 0.00 175.10 176.95 3ibd s PHE 66 N 2.04 -0.18 -0.08 5.22 -0.71 -1.06 -4.34 117.98 118.87 3ibd s PHE 66 Ca 0.04 -0.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.79 3ibd s PHE 66 Cb -0.13 0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 3ibd s PHE 66 CO -0.05 -0.81 -0.07 0.99 -1.34 0.00 0.00 175.22 173.93 3ibd s THR 67 N -3.83 3.68 -0.02 -4.49 2.01 0.07 -0.48 115.64 112.57 3ibd s THR 67 Ca 0.06 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.60 3ibd s THR 67 Cb 0.00 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 70.00 3ibd s THR 67 CO -0.08 0.58 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.67 3ibd s VAL 68 N -0.61 0.66 -0.33 3.82 1.01 -0.13 -3.96 120.40 120.85 3ibd s VAL 68 Ca 0.09 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 3ibd s VAL 68 Cb -0.12 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 3ibd s VAL 68 CO 0.02 0.21 0.38 -1.00 0.00 0.00 0.00 175.10 174.71 3ibd s HIS 69 N 0.14 3.21 -0.56 5.22 3.76 -1.26 0.31 115.29 126.12 3ibd s HIS 69 Ca -0.02 0.05 -0.18 0.00 -0.15 0.00 0.00 55.06 54.76 3ibd s HIS 69 Cb -0.07 -2.69 0.10 0.00 1.11 0.00 0.00 32.58 31.03 3ibd s HIS 69 CO 0.00 -0.42 0.62 -0.51 -0.85 0.00 0.00 174.74 173.57 3ibd s LEU 70 N 2.07 5.59 0.00 0.89 1.43 0.59 -1.42 118.68 127.83 3ibd s LEU 70 Ca 0.13 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.76 3ibd s LEU 70 Cb -0.16 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.77 3ibd s LEU 70 CO 0.12 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.32 3ibd n GLY 71 N 5.26 3.50 0.13 -3.19 0.00 -1.23 -1.79 105.19 107.87 3ibd n GLY 71 Ca -0.11 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.88 3ibd n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ibd n PRO 72 N 14.00 1.17 -3.84 1.61 -0.04 -1.26 -3.65 135.00 142.99 3ibd n PRO 72 Ca 0.00 -0.26 -0.36 0.00 -0.04 0.00 0.00 63.50 62.84 3ibd n PRO 72 Cb 0.00 -1.36 -0.13 0.00 -0.04 0.00 0.00 33.50 31.98 3ibd n PRO 72 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3ibd s ARG 73 N -1.96 3.59 0.13 0.54 3.52 -0.74 -5.07 118.95 118.96 3ibd s ARG 73 Ca 0.33 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 55.11 3ibd s ARG 73 Cb 0.16 -3.21 -0.07 0.00 -1.56 0.00 0.00 34.95 30.27 3ibd s ARG 73 CO 0.26 -0.15 1.11 -2.14 -0.81 0.00 0.00 175.30 173.57 3ibd s PRO 74 N 1.47 4.55 -0.02 5.12 0.02 -1.26 -0.30 135.00 144.58 3ibd s PRO 74 Ca 0.05 1.70 0.04 0.00 0.02 0.00 0.00 61.00 62.81 3ibd s PRO 74 Cb -0.15 -3.32 -0.01 0.00 0.02 0.00 0.00 34.50 31.05 3ibd s PRO 74 CO 0.02 -0.03 -0.12 0.14 -0.33 0.00 0.00 177.00 176.68 3ibd s VAL 75 N 0.25 1.00 -0.10 3.83 -7.23 0.15 -4.31 120.40 113.99 3ibd s VAL 75 Ca 0.52 -0.52 -0.19 0.00 -1.81 0.00 0.00 61.98 59.99 3ibd s VAL 75 Cb -0.28 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 3ibd s VAL 75 CO 0.32 0.29 0.51 -0.69 -0.31 0.00 0.00 175.10 175.22 3ibd s VAL 76 N -0.12 5.15 -0.19 1.32 1.01 -0.70 -0.96 120.40 125.91 3ibd s VAL 76 Ca 0.02 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.94 3ibd s VAL 76 Cb -0.07 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3ibd s VAL 76 CO 0.00 0.34 0.08 -0.04 0.00 0.00 0.00 175.10 175.48 3ibd s MET 77 N 0.51 3.99 -0.12 2.72 -1.94 0.36 -0.83 119.30 123.99 3ibd s MET 77 Ca 0.27 -0.33 0.00 0.00 -1.71 0.00 0.00 55.69 53.93 3ibd s MET 77 Cb -0.16 -3.27 -0.01 0.00 2.01 0.00 0.00 34.83 33.39 3ibd s MET 77 CO 0.12 0.23 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.71 3ibd s LEU 78 N 0.50 2.68 0.09 -0.03 1.43 -0.62 -2.56 118.68 120.17 3ibd s LEU 78 Ca 0.04 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 3ibd s LEU 78 Cb -0.12 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 3ibd s LEU 78 CO 0.00 0.17 -0.17 0.00 0.23 0.00 0.00 176.35 176.59 3ibd n GLY 80 N 1.09 0.43 0.18 0.00 0.00 -1.26 -4.35 105.19 101.28 3ibd n GLY 80 Ca -0.20 -1.57 -0.04 0.00 0.00 0.00 0.00 46.02 44.22 3ibd n GLY 80 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ibd h VAL 81 N 0.00 0.82 -0.25 1.61 2.07 -1.88 -2.39 116.25 116.22 3ibd h VAL 81 Ca 0.00 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3ibd h VAL 81 Cb 0.00 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3ibd h VAL 81 CO 0.00 0.05 0.01 -0.33 0.02 0.00 0.00 177.57 177.32 3ibd h GLU 82 N 0.28 0.44 -0.54 1.57 4.39 -1.98 -2.39 114.58 116.36 3ibd h GLU 82 Ca 0.21 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 3ibd h GLU 82 Cb 0.23 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3ibd h GLU 82 CO -0.24 0.60 -0.07 0.00 -1.16 0.00 0.00 179.01 178.14 3ibd h ALA 83 N 0.82 0.87 -0.36 3.43 0.00 -1.73 -1.06 119.26 121.22 3ibd h ALA 83 Ca 0.07 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 3ibd h ALA 83 Cb 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ibd h ALA 83 CO 0.01 0.65 -0.08 0.82 0.00 0.00 0.00 179.25 180.65 3ibd h ILE 84 N 0.88 1.28 -0.44 0.00 2.04 -1.38 -2.46 117.51 117.42 3ibd h ILE 84 Ca 0.15 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 3ibd h ILE 84 Cb 0.61 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3ibd h ILE 84 CO 0.04 0.38 0.10 0.03 0.00 0.00 0.00 178.15 178.70 3ibd h ARG 85 N 0.49 0.71 -0.69 2.37 3.08 -1.30 -0.76 114.38 118.29 3ibd h ARG 85 Ca 0.09 -0.18 0.13 0.00 0.07 0.00 0.00 59.98 60.09 3ibd h ARG 85 Cb 0.59 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.46 3ibd h ARG 85 CO 0.03 0.72 0.22 0.93 -1.07 0.00 0.00 179.97 180.81 3ibd h GLU 86 N 0.59 0.35 0.52 0.04 5.08 -1.11 -0.23 114.58 119.82 3ibd h GLU 86 Ca 0.14 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3ibd h GLU 86 Cb 0.33 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.51 3ibd h GLU 86 CO 0.00 0.23 -0.25 0.00 -1.00 0.00 0.00 179.01 178.00 3ibd h ALA 87 N 1.51 -0.70 -0.02 3.43 0.00 -1.25 -2.10 119.26 120.13 3ibd h ALA 87 Ca 0.37 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3ibd h ALA 87 Cb 0.55 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3ibd h ALA 87 CO -0.40 -0.68 -0.67 -0.07 0.00 0.00 0.00 179.25 177.44 3ibd h LEU 88 N -1.13 0.13 0.00 0.00 3.38 -1.08 -2.09 115.31 114.52 3ibd h LEU 88 Ca -0.07 -0.08 -0.36 0.00 0.09 0.00 0.00 57.88 57.46 3ibd h LEU 88 Cb 0.58 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 3ibd h LEU 88 CO 0.12 0.75 -2.31 1.33 0.09 0.00 0.00 178.44 178.42 3ibd n VAL 89 N -3.79 1.31 0.09 1.22 0.24 -0.11 -4.14 118.33 113.15 3ibd n VAL 89 Ca -0.02 -0.45 -0.08 0.00 -2.04 0.00 0.00 64.34 61.75 3ibd n VAL 89 Cb 0.66 -1.45 -0.04 0.00 -1.47 0.00 0.00 33.84 31.54 3ibd n VAL 89 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3ibd h ASP 90 N -0.24 0.17 -1.56 -1.34 3.32 -1.37 -3.29 116.42 112.12 3ibd h ASP 90 Ca -0.54 -0.15 -0.61 0.00 0.02 0.00 0.00 57.03 55.75 3ibd h ASP 90 Cb 1.72 -0.05 -0.40 0.00 0.22 0.00 0.00 39.33 40.81 3ibd h ASP 90 CO -0.16 1.00 -0.54 0.29 -1.72 0.00 0.00 179.24 178.12 3ibd n LYS 91 N -3.57 3.36 -0.28 3.56 5.02 -0.79 -4.93 118.16 120.53 3ibd n LYS 91 Ca -0.03 -4.40 -0.06 0.00 -2.02 0.00 0.00 58.31 51.80 3ibd n LYS 91 Cb 0.85 -2.25 0.06 0.00 -0.02 0.00 0.00 35.03 33.67 3ibd n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ibd h ALA 92 N 2.62 1.00 0.05 7.82 0.00 -1.63 -1.95 119.26 127.18 3ibd h ALA 92 Ca 0.33 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3ibd h ALA 92 Cb 0.83 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3ibd h ALA 92 CO 0.91 0.66 -0.62 1.49 0.00 0.00 0.00 179.25 181.69 3ibd h GLU 93 N 1.13 0.32 -0.90 0.00 4.57 -1.88 -2.96 114.58 114.86 3ibd h GLU 93 Ca 0.25 -0.42 0.12 0.00 -1.18 0.00 0.00 59.36 58.13 3ibd h GLU 93 Cb 0.26 0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 28.91 3ibd h GLU 93 CO -0.01 1.13 0.53 0.00 -1.18 0.00 0.00 179.01 179.48 3ibd h ALA 94 N 0.21 1.34 -0.29 2.92 0.00 -1.87 -2.22 119.26 119.35 3ibd h ALA 94 Ca -0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ibd h ALA 94 Cb 1.39 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ibd h ALA 94 CO 0.12 0.11 0.00 1.19 0.00 0.00 0.00 179.25 180.67 3ibd n PHE 95 N -4.72 0.57 1.61 0.00 3.72 -0.75 -0.72 117.46 117.16 3ibd n PHE 95 Ca 0.17 -0.24 0.15 0.00 -0.05 0.00 0.00 57.45 57.47 3ibd n PHE 95 Cb 0.34 -0.09 0.68 0.00 -0.94 0.00 0.00 39.48 39.47 3ibd n PHE 95 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ibd n SER 96 N 0.36 0.65 -4.82 4.37 3.41 -0.84 -4.62 113.62 112.13 3ibd n SER 96 Ca 0.11 -0.99 -0.33 0.00 -0.26 0.00 0.00 58.87 57.40 3ibd n SER 96 Cb 0.39 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 3ibd n SER 96 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ibd s GLY 97 N -2.19 2.23 -0.21 5.00 0.00 -0.99 -4.90 107.32 106.27 3ibd s GLY 97 Ca 0.37 0.37 -0.08 0.00 0.00 0.00 0.00 44.72 45.38 3ibd s GLY 97 CO 0.40 0.67 0.08 -1.60 0.00 0.00 0.00 173.10 172.65 3ibd s ARG 98 N -3.74 3.92 0.79 2.90 6.06 -1.26 -1.08 118.95 126.54 3ibd s ARG 98 Ca 0.63 -0.36 -0.08 0.00 -2.50 0.00 0.00 55.73 53.42 3ibd s ARG 98 Cb -0.13 -3.29 0.13 0.00 0.06 0.00 0.00 34.95 31.72 3ibd s ARG 98 CO 0.27 0.14 1.11 0.20 -2.50 0.00 0.00 175.30 174.52 3ibd s GLY 99 N 0.75 1.74 0.12 8.12 0.00 0.11 -4.57 107.32 113.58 3ibd s GLY 99 Ca 0.04 -1.26 -0.04 0.00 0.00 0.00 0.00 44.72 43.46 3ibd s GLY 99 CO 0.02 -0.69 0.34 0.54 0.00 0.00 0.00 173.10 173.31 3ibd s LYS 100 N -5.42 3.59 -0.38 2.90 -0.14 -1.26 -4.76 119.74 114.26 3ibd s LYS 100 Ca 0.67 -0.15 -0.08 0.00 -1.36 0.00 0.00 55.97 55.04 3ibd s LYS 100 Cb -0.07 -2.91 0.05 0.00 -1.68 0.00 0.00 37.83 33.23 3ibd s LYS 100 CO 0.47 0.51 0.19 -1.50 -0.76 0.00 0.00 175.35 174.26 3ibd s ILE 101 N -1.60 4.13 0.33 2.17 1.10 -1.26 -4.86 121.20 121.21 3ibd s ILE 101 Ca 0.39 -1.19 0.07 0.00 -0.51 0.00 0.00 60.65 59.41 3ibd s ILE 101 Cb -0.12 -3.42 0.31 0.00 0.15 0.00 0.00 42.46 39.38 3ibd s ILE 101 CO 0.24 -0.33 1.83 0.00 -2.11 0.00 0.00 174.94 174.58 3ibd h ALA 102 N 8.34 1.76 -0.05 1.50 0.00 -1.90 -1.24 119.26 127.67 3ibd h ALA 102 Ca -0.23 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3ibd h ALA 102 Cb 1.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3ibd h ALA 102 CO 0.68 -0.04 -0.31 0.52 0.00 0.00 0.00 179.25 180.10 3ibd h MET 103 N 0.75 0.09 0.00 0.00 2.86 -1.89 -3.29 114.93 113.45 3ibd h MET 103 Ca 0.50 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 3ibd h MET 103 Cb 0.77 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.43 3ibd h MET 103 CO -0.27 0.39 -0.98 1.33 1.06 0.00 0.00 176.91 178.45 3ibd n VAL 104 N -4.15 0.00 -0.30 -2.22 0.24 -0.77 -4.68 118.33 106.45 3ibd n VAL 104 Ca -0.02 -0.25 0.07 0.00 -2.04 0.00 0.00 64.34 62.11 3ibd n VAL 104 Cb 0.37 0.62 0.28 0.00 -1.47 0.00 0.00 33.84 33.64 3ibd n VAL 104 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3ibd h ASP 105 N 0.00 0.83 -0.46 -1.34 3.58 -1.32 -0.93 116.42 116.78 3ibd h ASP 105 Ca 0.00 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.52 3ibd h ASP 105 Cb 0.34 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 3ibd h ASP 105 CO 0.00 0.48 0.31 -0.65 -2.88 0.00 0.00 179.24 176.50 3ibd h PRO 106 N 0.91 0.45 0.27 0.28 0.11 -1.84 -0.07 132.00 132.11 3ibd h PRO 106 Ca 0.43 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 3ibd h PRO 106 Cb 0.42 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3ibd h PRO 106 CO -0.19 0.30 -0.13 0.35 -0.21 0.00 0.00 178.00 178.11 3ibd h PHE 107 N 0.46 -0.34 -0.30 0.65 3.57 -1.52 -3.40 116.94 116.07 3ibd h PHE 107 Ca 0.19 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 3ibd h PHE 107 Cb 0.19 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3ibd h PHE 107 CO -0.00 -0.20 -0.18 0.74 -2.23 0.00 0.00 178.31 176.44 3ibd h PHE 108 N -1.09 0.76 -6.26 0.41 0.04 -1.35 -3.48 116.94 105.96 3ibd h PHE 108 Ca -0.04 -0.20 -0.47 0.00 2.80 0.00 0.00 57.97 60.07 3ibd h PHE 108 Cb 0.30 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 3ibd h PHE 108 CO 0.00 0.90 -0.78 0.54 -0.60 0.00 0.00 178.31 178.38 3ibd n ARG 109 N -4.36 -5.36 -0.87 1.51 5.12 -0.05 -1.86 116.66 110.79 3ibd n ARG 109 Ca -0.03 0.60 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 3ibd n ARG 109 Cb 0.40 -5.40 0.00 0.00 -1.16 0.00 0.00 32.46 26.30 3ibd n ARG 109 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ibd n GLY 110 N -1.68 0.55 3.90 -0.13 0.00 -1.26 -5.05 105.19 101.52 3ibd n GLY 110 Ca -0.04 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3ibd n GLY 110 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ibd s TYR 111 N -2.00 3.47 0.00 1.61 2.02 -0.78 -3.62 117.35 118.05 3ibd s TYR 111 Ca 0.00 0.54 0.00 0.00 -0.37 0.00 0.00 57.07 57.24 3ibd s TYR 111 Cb 0.00 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 3ibd s TYR 111 CO 0.00 0.37 0.00 0.41 -1.57 0.00 0.00 175.55 174.76 3ibd n GLY 112 N -0.26 1.52 0.36 0.71 0.00 -1.26 -4.31 105.19 101.95 3ibd n GLY 112 Ca -0.03 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.30 3ibd n GLY 112 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ibd h VAL 113 N 0.00 1.16 -0.80 1.61 2.07 -1.92 -2.16 116.25 116.21 3ibd h VAL 113 Ca 0.00 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3ibd h VAL 113 Cb 0.00 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.70 3ibd h VAL 113 CO 0.00 0.20 0.44 0.40 0.02 0.00 0.00 177.57 178.63 3ibd h ILE 114 N 1.10 1.24 -0.01 4.57 2.04 -1.93 -3.21 117.51 121.30 3ibd h ILE 114 Ca 0.34 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3ibd h ILE 114 Cb -0.01 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 3ibd h ILE 114 CO -0.09 0.26 -0.33 0.49 0.00 0.00 0.00 178.15 178.47 3ibd n PHE 115 N -4.42 0.00 -2.20 1.37 3.72 -1.07 -4.97 117.46 109.89 3ibd n PHE 115 Ca 0.08 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.17 3ibd n PHE 115 Cb 0.09 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.62 3ibd n PHE 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ibd s ALA 116 N -2.01 3.17 0.31 4.37 0.00 -0.84 -4.30 121.76 122.45 3ibd s ALA 116 Ca 0.16 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.03 3ibd s ALA 116 Cb 0.15 -2.97 -0.06 0.00 0.00 0.00 0.00 23.12 20.24 3ibd s ALA 116 CO 0.43 -0.47 0.08 -0.80 0.00 0.00 0.00 175.76 174.99 3ibd s ASN 117 N -3.84 1.96 0.90 0.00 0.01 -1.26 -4.60 114.94 108.11 3ibd s ASN 117 Ca 0.54 -1.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.30 3ibd s ASN 117 Cb -0.11 0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.59 3ibd s ASN 117 CO 0.46 -0.67 0.00 0.61 -1.51 0.00 0.00 177.10 175.99 3ibd n GLY 118 N -0.62 2.76 0.15 0.66 0.00 -1.26 -2.23 105.19 104.65 3ibd n GLY 118 Ca -0.02 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3ibd n GLY 118 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ibd h ASN 119 N 2.58 0.43 -0.84 1.61 2.35 -1.99 -0.99 115.58 118.73 3ibd h ASN 119 Ca 0.00 -0.37 0.20 0.00 -0.55 0.00 0.00 56.30 55.58 3ibd h ASN 119 Cb 0.00 -0.12 -0.15 0.00 0.05 0.00 0.00 38.32 38.10 3ibd h ASN 119 CO 0.00 0.70 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.38 3ibd h ARG 120 N 0.16 0.07 0.18 0.81 2.43 -1.93 -1.03 114.38 115.06 3ibd h ARG 120 Ca 0.06 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3ibd h ARG 120 Cb 0.51 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3ibd h ARG 120 CO 0.02 0.05 -0.08 2.35 -1.51 0.00 0.00 179.97 180.79 3ibd h TRP 121 N 0.07 -0.22 -0.85 2.20 7.01 -1.07 -1.80 115.95 121.30 3ibd h TRP 121 Ca 0.47 -0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.59 3ibd h TRP 121 Cb 0.87 0.07 -0.08 0.00 -2.10 0.00 0.00 29.16 27.92 3ibd h TRP 121 CO -0.47 0.17 0.46 0.87 -2.79 0.00 0.00 178.44 176.68 3ibd h LYS 122 N -0.68 0.70 -0.07 2.65 1.57 -0.88 0.11 116.57 119.97 3ibd h LYS 122 Ca -0.02 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.53 3ibd h LYS 122 Cb 0.49 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.65 3ibd h LYS 122 CO 0.04 0.46 -0.69 0.28 -0.57 0.00 0.00 179.45 178.97 3ibd h VAL 123 N 0.72 1.35 -0.20 0.50 2.07 -1.20 -1.36 116.25 118.13 3ibd h VAL 123 Ca 0.44 -2.00 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 3ibd h VAL 123 Cb 0.52 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3ibd h VAL 123 CO -0.31 0.61 0.11 0.25 0.02 0.00 0.00 177.57 178.25 3ibd h LEU 124 N 0.21 0.24 -0.54 2.57 5.85 -0.98 -2.10 115.31 120.56 3ibd h LEU 124 Ca -0.07 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 3ibd h LEU 124 Cb 1.35 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3ibd h LEU 124 CO 0.14 0.24 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.29 3ibd h ARG 125 N 0.22 1.01 -0.70 1.25 2.43 -0.96 -1.80 114.38 115.83 3ibd h ARG 125 Ca 0.07 -0.37 -0.04 0.00 -0.81 0.00 0.00 59.98 58.83 3ibd h ARG 125 Cb 0.05 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3ibd h ARG 125 CO -0.01 1.05 0.26 -0.09 -1.51 0.00 0.00 179.97 179.68 3ibd h ARG 126 N 0.89 1.04 -0.35 0.20 9.65 -1.22 -2.37 114.38 122.22 3ibd h ARG 126 Ca 0.14 -0.18 -0.07 0.00 -1.10 0.00 0.00 59.98 58.76 3ibd h ARG 126 Cb 0.66 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 3ibd h ARG 126 CO 0.05 0.85 -0.08 0.35 2.80 0.00 0.00 179.97 183.94 3ibd h PHE 127 N 1.01 0.74 -0.44 2.20 3.04 -1.17 -1.10 116.94 121.23 3ibd h PHE 127 Ca 0.23 -0.16 0.09 0.00 3.98 0.00 0.00 57.97 62.11 3ibd h PHE 127 Cb 0.21 -0.18 -0.10 0.00 2.56 0.00 0.00 35.95 38.45 3ibd h PHE 127 CO 0.02 0.82 -0.29 0.77 -2.02 0.00 0.00 178.31 177.60 3ibd h SER 128 N 0.45 -0.99 0.25 0.41 0.02 -1.22 0.12 113.55 112.60 3ibd h SER 128 Ca 0.09 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 3ibd h SER 128 Cb 0.58 0.48 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 3ibd h SER 128 CO 0.03 -0.30 -0.14 0.58 -1.14 0.00 0.00 176.83 175.86 3ibd h VAL 129 N -0.20 0.70 -0.25 2.27 2.07 -1.22 -0.98 116.25 118.63 3ibd h VAL 129 Ca 0.19 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.65 3ibd h VAL 129 Cb 0.52 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3ibd h VAL 129 CO -0.55 0.00 -0.11 0.71 0.02 0.00 0.00 177.57 177.63 3ibd h THR 130 N -0.37 1.21 -0.29 2.57 1.35 -1.08 -1.90 112.91 114.40 3ibd h THR 130 Ca -0.03 -0.93 -0.04 0.00 -0.55 0.00 0.00 66.41 64.86 3ibd h THR 130 Cb 0.30 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 3ibd h THR 130 CO 0.03 0.30 0.02 0.74 -0.25 0.00 0.00 175.52 176.36 3ibd h THR 131 N 0.39 1.25 0.00 6.82 2.02 -0.51 -2.82 112.91 120.06 3ibd h THR 131 Ca 0.08 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.32 3ibd h THR 131 Cb 0.44 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3ibd h THR 131 CO 0.02 0.29 -0.20 0.24 0.37 0.00 0.00 175.52 176.24 3ibd h MET 132 N 0.30 0.00 -0.34 6.66 2.86 -1.01 -0.93 114.93 122.46 3ibd h MET 132 Ca 0.08 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 3ibd h MET 132 Cb 0.40 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3ibd h MET 132 CO 0.01 0.20 -0.18 0.00 1.06 0.00 0.00 176.91 178.00 3ibd h ARG 133 N 0.00 0.62 0.00 1.72 3.08 -1.29 -2.61 114.38 115.90 3ibd h ARG 133 Ca -0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3ibd h ARG 133 Cb 0.87 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3ibd h ARG 133 CO 0.03 0.77 0.00 -0.44 -1.07 0.00 0.00 179.97 179.26 3ibd h ASP 134 N 0.56 0.00 -2.62 7.04 3.32 -1.19 -3.46 116.42 120.07 3ibd h ASP 134 Ca 0.09 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.60 3ibd h ASP 134 Cb 0.62 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.19 3ibd h ASP 134 CO 0.04 0.00 1.05 0.12 -1.72 0.00 0.00 179.24 178.74 3ibd s PHE 135 N -3.20 2.15 0.00 4.55 5.36 -0.40 -2.79 117.98 123.64 3ibd s PHE 135 Ca 0.07 0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 3ibd s PHE 135 Cb 0.06 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.75 3ibd s PHE 135 CO 0.65 -4.09 0.00 0.41 -1.46 0.00 0.00 175.22 170.73 3ibd n GLY 136 N 4.11 3.14 0.11 13.12 0.00 -1.07 -4.76 105.19 119.84 3ibd n GLY 136 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 3ibd n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibd h MET 137 N 2.14 0.25 -0.32 1.61 -0.00 -1.85 -3.21 114.93 113.55 3ibd h MET 137 Ca 0.00 -0.09 -0.16 0.00 -0.00 0.00 0.00 59.70 59.45 3ibd h MET 137 Cb 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 31.58 3ibd h MET 137 CO 0.00 0.53 -0.43 0.78 -0.00 0.00 0.00 176.91 177.79 3ibd h GLY 138 N -0.05 0.94 -2.67 -3.00 0.00 -1.92 -3.47 103.07 92.90 3ibd h GLY 138 Ca 0.03 -1.02 -0.31 0.00 0.00 0.00 0.00 47.33 46.03 3ibd h GLY 138 CO 0.01 0.92 -0.67 -1.59 0.00 0.00 0.00 176.54 175.21 3ibd s LYS 139 N -4.27 1.14 0.39 4.80 -2.85 -1.21 -5.12 119.74 112.62 3ibd s LYS 139 Ca -0.11 -1.55 -0.27 0.00 -1.00 0.00 0.00 55.97 53.05 3ibd s LYS 139 Cb 0.10 -0.41 -0.11 0.00 -2.06 0.00 0.00 37.83 35.36 3ibd s LYS 139 CO 0.87 -0.08 1.29 2.89 0.10 0.00 0.00 175.35 180.42 3ibd n ARG 140 N -0.27 2.05 -0.61 1.78 1.85 -1.26 -2.59 116.66 117.61 3ibd n ARG 140 Ca -0.07 0.72 -0.30 0.00 -1.00 0.00 0.00 57.85 57.20 3ibd n ARG 140 Cb 0.63 -2.37 0.20 0.00 -1.05 0.00 0.00 32.46 29.87 3ibd n ARG 140 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3ibd s SER 141 N -0.42 2.10 0.21 2.89 1.04 -1.26 -4.41 113.70 113.85 3ibd s SER 141 Ca 0.58 1.97 -0.10 0.00 0.48 0.00 0.00 55.95 58.88 3ibd s SER 141 Cb -0.53 -2.49 0.16 0.00 0.10 0.00 0.00 66.02 63.26 3ibd s SER 141 CO 0.60 -3.58 1.88 0.58 0.98 0.00 0.00 173.24 173.70 3ibd h VAL 142 N -2.20 1.20 -0.81 5.02 2.07 -1.92 -1.99 116.25 117.62 3ibd h VAL 142 Ca -0.50 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 66.71 3ibd h VAL 142 Cb 1.29 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3ibd h VAL 142 CO 0.44 0.20 0.48 -0.08 0.02 0.00 0.00 177.57 178.63 3ibd h GLU 143 N 1.05 0.83 -0.61 1.57 4.81 -1.99 -0.82 114.58 119.42 3ibd h GLU 143 Ca 0.28 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 3ibd h GLU 143 Cb -0.11 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.06 3ibd h GLU 143 CO -0.06 0.55 0.24 0.93 -0.73 0.00 0.00 179.01 179.94 3ibd h GLU 144 N 0.86 0.90 -0.09 1.92 5.08 -1.77 0.01 114.58 121.47 3ibd h GLU 144 Ca 0.37 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 3ibd h GLU 144 Cb 0.25 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3ibd h GLU 144 CO -0.20 0.74 -0.52 0.00 -1.00 0.00 0.00 179.01 178.03 3ibd h ARG 145 N 0.88 0.26 -0.12 2.33 3.08 -0.62 -1.72 114.38 118.47 3ibd h ARG 145 Ca 0.21 -0.15 -0.18 0.00 0.07 0.00 0.00 59.98 59.93 3ibd h ARG 145 Cb 0.18 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.25 3ibd h ARG 145 CO -0.02 0.72 -0.61 0.82 -1.07 0.00 0.00 179.97 179.81 3ibd h ILE 146 N 0.20 1.33 -0.61 2.04 2.04 -0.57 -1.45 117.51 120.50 3ibd h ILE 146 Ca 0.01 -1.89 0.02 0.00 1.00 0.00 0.00 64.86 63.99 3ibd h ILE 146 Cb 0.98 2.14 -0.04 0.00 -0.74 0.00 0.00 36.82 39.17 3ibd h ILE 146 CO 0.08 0.58 0.38 1.56 0.00 0.00 0.00 178.15 180.75 3ibd h GLN 147 N 0.26 0.74 -0.72 2.37 4.20 -0.92 0.61 115.11 121.65 3ibd h GLN 147 Ca -0.04 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.67 3ibd h GLN 147 Cb 1.25 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 28.82 3ibd h GLN 147 CO 0.13 0.49 0.44 0.93 -0.67 0.00 0.00 178.83 180.14 3ibd h GLU 148 N 0.76 0.80 -0.50 1.46 5.08 -1.28 -1.06 114.58 119.84 3ibd h GLU 148 Ca 0.24 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 3ibd h GLU 148 Cb -0.01 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3ibd h GLU 148 CO -0.08 0.53 -0.15 1.49 -1.00 0.00 0.00 179.01 179.79 3ibd h GLU 149 N 0.82 0.98 -0.72 2.33 4.57 -0.64 -2.38 114.58 119.54 3ibd h GLU 149 Ca 0.31 -0.39 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3ibd h GLU 149 Cb 0.11 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 3ibd h GLU 149 CO -0.15 1.06 0.45 0.00 -1.18 0.00 0.00 179.01 179.19 3ibd h ALA 150 N 0.89 1.43 0.13 2.92 0.00 -0.71 -0.12 119.26 123.80 3ibd h ALA 150 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ibd h ALA 150 Cb 0.72 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ibd h ALA 150 CO 0.05 0.51 -0.06 0.37 0.00 0.00 0.00 179.25 180.12 3ibd h GLN 151 N 0.99 -0.17 -0.82 0.00 5.75 -1.03 -1.90 115.11 117.94 3ibd h GLN 151 Ca 0.26 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.84 3ibd h GLN 151 Cb -0.06 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.46 3ibd h GLN 151 CO -0.05 -0.06 0.49 0.00 -2.65 0.00 0.00 178.83 176.56 3ibd h LEU 153 N 0.88 -0.04 -1.12 0.00 5.85 -0.66 -1.99 115.31 118.24 3ibd h LEU 153 Ca 0.37 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 59.07 3ibd h LEU 153 Cb 0.22 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3ibd h LEU 153 CO -0.19 0.02 -0.32 0.16 -0.34 0.00 0.00 178.44 177.77 3ibd h ILE 154 N 0.14 0.83 -0.28 4.05 3.07 -1.24 0.13 117.51 124.21 3ibd h ILE 154 Ca 0.14 -1.31 -0.17 0.00 1.55 0.00 0.00 64.86 65.07 3ibd h ILE 154 Cb 0.17 1.81 -0.00 0.00 -0.27 0.00 0.00 36.82 38.52 3ibd h ILE 154 CO -0.21 0.31 -0.50 -0.33 -1.05 0.00 0.00 178.15 176.37 3ibd h GLU 155 N 0.00 0.78 -0.58 0.16 5.08 -1.35 -0.90 114.58 117.77 3ibd h GLU 155 Ca -0.00 -0.47 -0.08 0.00 -1.00 0.00 0.00 59.36 57.80 3ibd h GLU 155 Cb 0.78 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3ibd h GLU 155 CO 0.04 1.10 0.03 1.49 -1.00 0.00 0.00 179.01 180.67 3ibd h GLU 156 N 0.61 1.00 -0.72 2.33 4.57 -0.96 -1.33 114.58 120.08 3ibd h GLU 156 Ca 0.03 -0.30 -0.07 0.00 -1.18 0.00 0.00 59.36 57.84 3ibd h GLU 156 Cb 1.08 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.54 3ibd h GLU 156 CO 0.11 0.98 0.19 -0.07 -1.18 0.00 0.00 179.01 179.04 3ibd h LEU 157 N 0.89 1.08 -0.40 1.64 3.38 -0.64 -2.24 115.31 119.01 3ibd h LEU 157 Ca 0.17 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3ibd h LEU 157 Cb 0.51 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3ibd h LEU 157 CO 0.02 1.02 0.19 -0.09 0.09 0.00 0.00 178.44 179.68 3ibd h ARG 158 N 1.08 0.38 0.00 1.13 9.65 -1.07 -2.12 114.38 123.44 3ibd h ARG 158 Ca 0.23 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.08 3ibd h ARG 158 Cb 0.35 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 3ibd h ARG 158 CO -0.00 0.25 -0.02 0.87 2.80 0.00 0.00 179.97 183.86 3ibd h LYS 159 N 0.39 0.00 0.00 0.20 6.56 -0.89 -1.49 116.57 121.34 3ibd h LYS 159 Ca 0.17 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.76 3ibd h LYS 159 Cb 0.09 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.75 3ibd h LYS 159 CO -0.13 0.02 -0.04 0.66 -2.06 0.00 0.00 179.45 177.91 3ibd h SER 160 N 0.00 0.00 -6.16 0.86 4.64 -0.79 -3.47 113.55 108.62 3ibd h SER 160 Ca -0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 3ibd h SER 160 Cb 0.07 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.18 3ibd h SER 160 CO 0.00 0.04 -0.82 0.29 -0.87 0.00 0.00 176.83 175.46 3ibd n LYS 161 N -3.17 -4.84 -1.12 4.77 4.76 -0.56 -2.01 118.16 115.98 3ibd n LYS 161 Ca -0.00 0.59 -0.04 0.00 -2.87 0.00 0.00 58.31 55.99 3ibd n LYS 161 Cb 0.28 -5.16 -0.02 0.00 -1.84 0.00 0.00 35.03 28.29 3ibd n LYS 161 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ibd n GLY 162 N -1.63 0.65 3.78 0.72 0.00 -1.24 -5.01 105.19 102.45 3ibd n GLY 162 Ca -0.25 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3ibd n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibd s ALA 163 N -1.92 2.71 0.25 4.61 0.00 -0.85 -4.75 121.76 121.81 3ibd s ALA 163 Ca 0.00 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.33 3ibd s ALA 163 Cb 0.00 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 3ibd s ALA 163 CO 0.00 -0.73 1.03 -0.51 0.00 0.00 0.00 175.76 175.55 3ibd s LEU 164 N -3.97 4.58 0.01 0.00 1.43 -1.26 -4.40 118.68 115.07 3ibd s LEU 164 Ca 0.69 2.10 -0.16 0.00 -1.03 0.00 0.00 54.13 55.74 3ibd s LEU 164 Cb -0.20 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.43 3ibd s LEU 164 CO 0.29 -0.03 0.34 0.00 0.23 0.00 0.00 176.35 177.18 3ibd s MET 165 N -1.16 0.78 -0.41 1.70 0.23 -0.17 -4.91 119.30 115.36 3ibd s MET 165 Ca 0.44 -0.31 -0.25 0.00 -1.03 0.00 0.00 55.69 54.54 3ibd s MET 165 Cb -0.29 0.34 0.02 0.00 -1.53 0.00 0.00 34.83 33.37 3ibd s MET 165 CO 0.36 -0.24 0.90 0.34 -2.03 0.00 0.00 175.02 174.35 3ibd s ASP 166 N -1.68 6.58 0.00 -1.18 -1.08 -1.26 -0.78 116.67 117.26 3ibd s ASP 166 Ca -0.09 0.34 0.12 0.00 -0.52 0.00 0.00 52.55 52.39 3ibd s ASP 166 Cb -0.03 -2.45 0.69 0.00 -1.46 0.00 0.00 42.92 39.68 3ibd s ASP 166 CO 0.01 -0.92 1.32 -0.81 0.52 0.00 0.00 175.17 175.29 3ibd n PRO 167 N 6.88 0.84 -0.07 4.34 -0.04 -1.26 -4.20 135.00 141.48 3ibd n PRO 167 Ca 0.06 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.45 3ibd n PRO 167 Cb 0.48 -1.22 -0.01 0.00 -0.04 0.00 0.00 33.50 32.72 3ibd n PRO 167 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3ibd h THR 168 N 0.00 0.76 -0.49 0.52 2.02 -1.92 -1.09 112.91 112.70 3ibd h THR 168 Ca 0.00 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 3ibd h THR 168 Cb 0.00 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3ibd h THR 168 CO 0.00 0.01 0.05 -0.26 0.37 0.00 0.00 175.52 175.69 3ibd h PHE 169 N 0.04 0.83 -0.30 3.16 0.04 -2.00 -0.42 116.94 118.28 3ibd h PHE 169 Ca 0.14 -0.10 -0.13 0.00 2.80 0.00 0.00 57.97 60.68 3ibd h PHE 169 Cb 0.19 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.11 3ibd h PHE 169 CO -0.24 0.74 -0.32 -0.07 -0.60 0.00 0.00 178.31 177.81 3ibd h LEU 170 N 0.75 0.81 -0.54 1.54 3.38 -1.66 -1.39 115.31 118.21 3ibd h LEU 170 Ca 0.15 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 3ibd h LEU 170 Cb 0.38 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3ibd h LEU 170 CO 0.01 1.12 -0.03 -0.26 0.09 0.00 0.00 178.44 179.38 3ibd h PHE 171 N 0.52 1.06 -0.83 1.13 0.04 -0.87 -0.72 116.94 117.26 3ibd h PHE 171 Ca 0.05 -0.19 0.05 0.00 2.80 0.00 0.00 57.97 60.67 3ibd h PHE 171 Cb 0.90 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 38.73 3ibd h PHE 171 CO 0.07 0.97 0.52 1.96 -0.60 0.00 0.00 178.31 181.24 3ibd h GLN 172 N 0.84 0.96 -0.37 1.51 4.20 -1.06 -3.06 115.11 118.13 3ibd h GLN 172 Ca 0.15 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 3ibd h GLN 172 Cb 0.57 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3ibd h GLN 172 CO 0.03 0.64 0.01 0.77 -0.67 0.00 0.00 178.83 179.61 3ibd h SER 173 N 0.99 0.62 -0.54 1.46 0.02 -0.70 -1.15 113.55 114.26 3ibd h SER 173 Ca 0.35 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 3ibd h SER 173 Cb 0.09 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3ibd h SER 173 CO -0.14 0.77 -0.04 0.16 -1.14 0.00 0.00 176.83 176.43 3ibd h ILE 174 N 0.46 1.27 -0.11 3.27 3.07 -1.16 0.36 117.51 124.67 3ibd h ILE 174 Ca 0.11 -1.17 -0.22 0.00 1.55 0.00 0.00 64.86 65.13 3ibd h ILE 174 Cb 0.44 0.93 0.01 0.00 -0.27 0.00 0.00 36.82 37.93 3ibd h ILE 174 CO 0.02 0.42 -0.78 0.71 -1.05 0.00 0.00 178.15 177.46 3ibd h THR 175 N 0.86 1.30 -0.60 0.16 1.35 -1.54 -2.46 112.91 111.98 3ibd h THR 175 Ca 0.15 -2.01 0.06 0.00 -0.55 0.00 0.00 66.41 64.06 3ibd h THR 175 Cb 0.59 2.12 -0.05 0.00 -1.73 0.00 0.00 68.15 69.08 3ibd h THR 175 CO 0.04 0.63 0.31 0.00 -0.25 0.00 0.00 175.52 176.24 3ibd h ALA 176 N 0.50 0.78 -0.12 6.62 0.00 -1.17 -2.80 119.26 123.06 3ibd h ALA 176 Ca -0.07 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ibd h ALA 176 Cb 1.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3ibd h ALA 176 CO 0.16 -0.04 0.07 -0.91 0.00 0.00 0.00 179.25 178.53 3ibd h ASN 177 N 0.58 0.15 -0.35 0.00 2.35 -0.84 0.11 115.58 117.58 3ibd h ASN 177 Ca 0.27 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.97 3ibd h ASN 177 Cb 0.19 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3ibd h ASN 177 CO -0.19 0.12 0.04 0.40 -1.65 0.00 0.00 177.43 176.15 3ibd h ILE 178 N 0.17 1.24 -0.32 2.81 1.08 -1.17 -0.25 117.51 121.07 3ibd h ILE 178 Ca 0.05 -0.88 -0.07 0.00 -0.39 0.00 0.00 64.86 63.57 3ibd h ILE 178 Cb 0.00 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 3ibd h ILE 178 CO -0.01 0.29 -0.08 0.40 -0.69 0.00 0.00 178.15 178.06 3ibd h ILE 179 N 0.42 1.28 -0.97 -0.67 2.04 -1.36 -1.90 117.51 116.35 3ibd h ILE 179 Ca 0.10 -1.13 0.10 0.00 1.00 0.00 0.00 64.86 64.93 3ibd h ILE 179 Cb 0.38 1.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.76 3ibd h ILE 179 CO 0.01 0.36 0.62 0.00 0.00 0.00 0.00 178.15 179.15 3ibd h SER 181 N 1.02 0.86 -0.14 0.00 0.87 -0.62 0.10 113.55 115.64 3ibd h SER 181 Ca 0.45 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3ibd h SER 181 Cb 0.37 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3ibd h SER 181 CO -0.21 1.08 -0.01 0.40 -0.53 0.00 0.00 176.83 177.57 3ibd h ILE 182 N 0.63 1.26 0.03 2.23 2.04 -0.76 -2.03 117.51 120.92 3ibd h ILE 182 Ca 0.08 -0.87 -0.11 0.00 1.00 0.00 0.00 64.86 64.96 3ibd h ILE 182 Cb 0.77 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3ibd h ILE 182 CO 0.06 0.25 -0.56 0.58 0.00 0.00 0.00 178.15 178.48 3ibd h VAL 183 N -0.03 1.46 -0.02 1.67 2.07 -0.86 -1.30 116.25 119.25 3ibd h VAL 183 Ca 0.04 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3ibd h VAL 183 Cb 0.39 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3ibd h VAL 183 CO 0.01 0.56 -0.29 0.49 0.02 0.00 0.00 177.57 178.36 3ibd n PHE 184 N -4.43 0.00 -1.23 1.57 3.72 0.27 -2.07 117.46 115.30 3ibd n PHE 184 Ca -0.18 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.15 3ibd n PHE 184 Cb 0.62 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.12 3ibd n PHE 184 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ibd n GLY 185 N 1.20 0.90 3.22 1.37 0.00 -0.72 -4.89 105.19 106.27 3ibd n GLY 185 Ca 0.08 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 3ibd n GLY 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ibd s LYS 186 N -2.36 1.09 0.11 1.61 -2.85 -1.20 -4.94 119.74 111.20 3ibd s LYS 186 Ca 0.00 -1.53 0.09 0.00 -1.00 0.00 0.00 55.97 53.53 3ibd s LYS 186 Cb 0.00 -0.06 -0.04 0.00 -2.06 0.00 0.00 37.83 35.68 3ibd s LYS 186 CO 0.00 -0.21 -0.21 1.03 0.10 0.00 0.00 175.35 176.06 3ibd s ARG 187 N -3.99 1.71 -0.00 1.78 0.52 -1.26 -2.31 118.95 115.40 3ibd s ARG 187 Ca 0.27 -1.20 -0.00 0.00 -0.52 0.00 0.00 55.73 54.27 3ibd s ARG 187 Cb 0.07 -2.06 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 3ibd s ARG 187 CO 0.05 0.48 0.08 -0.06 0.02 0.00 0.00 175.30 175.87 3ibd s PHE 188 N -1.09 3.28 0.47 -0.53 0.40 -1.26 -5.09 117.98 114.17 3ibd s PHE 188 Ca 0.16 0.20 -0.22 0.00 -0.60 0.00 0.00 56.93 56.48 3ibd s PHE 188 Cb -0.10 -1.74 -0.08 0.00 0.51 0.00 0.00 43.02 41.61 3ibd s PHE 188 CO 0.08 0.55 1.08 -1.01 0.70 0.00 0.00 175.22 176.62 3ibd s HIS 189 N -1.20 2.99 0.45 0.36 3.76 -1.26 -4.91 115.29 115.48 3ibd s HIS 189 Ca 0.23 1.58 0.32 0.00 -0.15 0.00 0.00 55.06 57.04 3ibd s HIS 189 Cb -0.12 -3.18 1.70 0.00 1.11 0.00 0.00 32.58 32.09 3ibd s HIS 189 CO 0.14 -1.03 2.15 1.88 -0.85 0.00 0.00 174.74 177.03 3ibd h TYR 190 N 1.83 0.00 -0.01 1.40 0.05 -1.99 -2.26 116.97 116.00 3ibd h TYR 190 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 3ibd h TYR 190 Cb 1.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.97 3ibd h TYR 190 CO 0.55 0.06 -0.73 1.04 -1.05 0.00 0.00 178.16 178.03 3ibd n GLN 191 N -3.48 0.60 -1.56 4.88 3.00 -1.26 -4.91 117.38 114.65 3ibd n GLN 191 Ca -0.02 -0.49 -0.52 0.00 -0.01 0.00 0.00 57.00 55.96 3ibd n GLN 191 Cb 0.19 -1.49 -0.07 0.00 0.00 0.00 0.00 30.24 28.87 3ibd n GLN 191 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3ibd n ASP 192 N -0.77 2.46 -0.01 1.08 -0.08 -0.85 -4.90 116.55 113.47 3ibd n ASP 192 Ca 0.07 0.70 -0.09 0.00 -1.51 0.00 0.00 54.79 53.95 3ibd n ASP 192 Cb 0.40 -1.25 0.06 0.00 2.34 0.00 0.00 41.12 42.67 3ibd n ASP 192 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 3ibd h GLN 193 N 10.41 0.60 -0.59 -0.67 1.08 -1.92 -1.63 115.11 122.39 3ibd h GLN 193 Ca -0.36 -0.35 -0.06 0.00 -1.45 0.00 0.00 58.65 56.43 3ibd h GLN 193 Cb 1.31 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.74 3ibd h GLN 193 CO 0.99 0.96 0.14 0.93 -0.95 0.00 0.00 178.83 180.90 3ibd h GLU 194 N 0.48 0.95 0.05 1.46 4.39 -1.99 -0.35 114.58 119.57 3ibd h GLU 194 Ca 0.02 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.51 3ibd h GLU 194 Cb 1.02 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 3ibd h GLU 194 CO 0.10 0.88 -0.19 0.35 -1.16 0.00 0.00 179.01 178.99 3ibd h PHE 195 N 0.86 -0.50 -0.68 4.33 3.57 -1.88 -1.97 116.94 120.67 3ibd h PHE 195 Ca 0.19 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 3ibd h PHE 195 Cb 0.36 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 3ibd h PHE 195 CO 0.03 -0.27 0.25 -0.07 -2.23 0.00 0.00 178.31 176.01 3ibd h LEU 196 N -0.33 0.94 -0.17 0.59 3.38 -1.09 -0.82 115.31 117.81 3ibd h LEU 196 Ca 0.04 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3ibd h LEU 196 Cb 0.38 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3ibd h LEU 196 CO -0.14 0.85 -0.14 0.50 0.09 0.00 0.00 178.44 179.60 3ibd h LYS 197 N 0.99 -0.14 -0.36 1.13 3.64 -0.90 0.53 116.57 121.46 3ibd h LYS 197 Ca 0.23 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3ibd h LYS 197 Cb 0.22 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 3ibd h LYS 197 CO -0.02 -0.10 0.15 0.52 -2.27 0.00 0.00 179.45 177.74 3ibd h MET 198 N -0.15 0.31 -0.83 1.90 2.86 -0.83 -2.23 114.93 115.96 3ibd h MET 198 Ca 0.11 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3ibd h MET 198 Cb 0.30 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 3ibd h MET 198 CO -0.26 0.20 0.55 -0.07 1.06 0.00 0.00 176.91 178.39 3ibd h LEU 199 N 0.32 0.90 -0.96 1.22 3.38 -0.83 -2.02 115.31 117.31 3ibd h LEU 199 Ca 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3ibd h LEU 199 Cb 0.11 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3ibd h LEU 199 CO -0.14 0.63 0.40 -1.13 0.09 0.00 0.00 178.44 178.30 3ibd h ASN 200 N 1.05 1.03 -0.77 -0.43 -1.24 -0.33 -0.99 115.58 113.90 3ibd h ASN 200 Ca 0.32 -0.11 0.03 0.00 0.71 0.00 0.00 56.30 57.26 3ibd h ASN 200 Cb -0.02 -0.26 -0.05 0.00 0.73 0.00 0.00 38.32 38.72 3ibd h ASN 200 CO -0.09 0.85 0.49 -0.07 -1.29 0.00 0.00 177.43 177.32 3ibd h LEU 201 N 1.14 0.80 0.09 0.34 3.38 -0.87 0.96 115.31 121.14 3ibd h LEU 201 Ca 0.28 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 3ibd h LEU 201 Cb 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3ibd h LEU 201 CO -0.04 0.55 -0.04 -0.26 0.09 0.00 0.00 178.44 178.73 3ibd h PHE 202 N 0.94 -0.11 -0.56 1.13 0.04 -1.20 -1.87 116.94 115.31 3ibd h PHE 202 Ca 0.31 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.14 3ibd h PHE 202 Cb 0.03 0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.16 3ibd h PHE 202 CO -0.03 0.06 0.26 -0.92 -0.60 0.00 0.00 178.31 177.08 3ibd h TYR 203 N -0.27 0.48 -0.76 -0.55 3.20 -0.70 0.62 116.97 118.99 3ibd h TYR 203 Ca -0.01 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3ibd h TYR 203 Cb 0.23 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3ibd h TYR 203 CO -0.02 0.20 0.26 0.37 -1.64 0.00 0.00 178.16 177.33 3ibd h GLN 204 N 0.50 1.16 -0.50 1.82 4.15 -0.84 -1.45 115.11 119.94 3ibd h GLN 204 Ca 0.26 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3ibd h GLN 204 Cb 0.21 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 3ibd h GLN 204 CO -0.20 0.97 0.33 1.15 -1.93 0.00 0.00 178.83 179.14 3ibd h THR 205 N 1.12 1.13 -0.49 2.39 2.02 -0.16 -0.83 112.91 118.09 3ibd h THR 205 Ca 0.25 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 3ibd h THR 205 Cb 0.28 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3ibd h THR 205 CO -0.01 0.13 -0.15 -0.26 0.37 0.00 0.00 175.52 175.60 3ibd h PHE 206 N 0.68 1.10 0.00 3.16 0.04 -0.45 -1.72 116.94 119.74 3ibd h PHE 206 Ca 0.18 -0.24 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 3ibd h PHE 206 Cb -0.07 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.81 3ibd h PHE 206 CO -0.04 1.05 -0.30 0.66 -0.60 0.00 0.00 178.31 179.09 3ibd h SER 207 N 0.83 0.00 -0.30 2.17 4.64 -1.05 -2.59 113.55 117.25 3ibd h SER 207 Ca 0.12 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3ibd h SER 207 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3ibd h SER 207 CO 0.05 0.30 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.19 3ibd h LEU 208 N 0.00 0.56 -1.04 5.97 3.38 -0.84 -1.74 115.31 121.60 3ibd h LEU 208 Ca -0.00 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.67 3ibd h LEU 208 Cb 0.57 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 3ibd h LEU 208 CO 0.04 0.78 0.64 0.40 0.09 0.00 0.00 178.44 180.38 3ibd h ILE 209 N 0.33 1.13 -0.15 1.22 2.04 -1.07 -2.33 117.51 118.69 3ibd h ILE 209 Ca 0.08 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3ibd h ILE 209 Cb 0.52 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3ibd h ILE 209 CO 0.03 0.22 0.00 -1.20 0.00 0.00 0.00 178.15 177.19 3ibd n SER 210 N -4.46 2.40 -4.56 1.72 7.64 -1.00 -4.13 113.62 111.24 3ibd n SER 210 Ca 0.14 -1.80 -0.29 0.00 1.01 0.00 0.00 58.87 57.93 3ibd n SER 210 Cb 0.14 -0.09 0.19 0.00 -1.01 0.00 0.00 64.21 63.43 3ibd n SER 210 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3ibd s SER 211 N -1.76 2.29 0.23 6.43 1.04 -0.66 -3.75 113.70 117.52 3ibd s SER 211 Ca 0.34 1.09 -0.07 0.00 0.48 0.00 0.00 55.95 57.79 3ibd s SER 211 Cb 0.20 -1.70 0.34 0.00 0.10 0.00 0.00 66.02 64.96 3ibd s SER 211 CO 0.30 -3.33 1.79 0.58 0.98 0.00 0.00 173.24 173.57 3ibd h VAL 212 N -2.03 0.89 -0.61 5.02 2.07 -1.90 -1.57 116.25 118.12 3ibd h VAL 212 Ca -0.54 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3ibd h VAL 212 Cb 1.33 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3ibd h VAL 212 CO 0.55 0.12 0.35 0.15 0.02 0.00 0.00 177.57 178.76 3ibd h PHE 213 N 0.67 0.81 -0.91 1.57 3.04 -1.92 -1.84 116.94 118.36 3ibd h PHE 213 Ca 0.35 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.32 3ibd h PHE 213 Cb 0.34 -0.26 -0.05 0.00 2.56 0.00 0.00 35.95 38.53 3ibd h PHE 213 CO -0.09 0.57 0.60 0.78 -2.02 0.00 0.00 178.31 178.15 3ibd h GLY 214 N 0.82 1.30 1.54 2.40 0.00 -1.47 0.69 103.07 108.35 3ibd h GLY 214 Ca 0.22 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 3ibd h GLY 214 CO -0.04 0.42 -0.38 1.46 0.00 0.00 0.00 176.54 178.01 3ibd h GLN 215 N 1.18 0.51 -0.46 4.80 4.20 -1.11 -2.35 115.11 121.88 3ibd h GLN 215 Ca 0.35 -0.24 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 3ibd h GLN 215 Cb -0.05 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3ibd h GLN 215 CO -0.09 0.81 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.59 3ibd h LEU 216 N 0.43 0.96 -1.51 1.46 3.38 -0.64 -2.79 115.31 116.59 3ibd h LEU 216 Ca 0.04 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.67 3ibd h LEU 216 Cb 0.85 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3ibd h LEU 216 CO 0.07 1.14 0.35 0.15 0.09 0.00 0.00 178.44 180.24 3ibd h PHE 217 N 0.81 0.62 -0.88 1.13 3.57 -0.78 -0.24 116.94 121.17 3ibd h PHE 217 Ca 0.11 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.72 3ibd h PHE 217 Cb 0.78 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 3ibd h PHE 217 CO 0.05 0.37 0.57 0.93 -2.23 0.00 0.00 178.31 178.00 3ibd h GLU 218 N 0.65 0.82 0.14 1.11 3.07 -1.13 -0.16 114.58 119.08 3ibd h GLU 218 Ca 0.21 -0.05 -0.31 0.00 -0.50 0.00 0.00 59.36 58.71 3ibd h GLU 218 Cb 0.02 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.75 3ibd h GLU 218 CO -0.05 0.54 -1.55 -0.07 -1.40 0.00 0.00 179.01 176.48 3ibd h LEU 219 N 0.85 0.47 -2.99 1.33 3.38 -1.29 -3.42 115.31 113.63 3ibd h LEU 219 Ca 0.41 -0.89 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 3ibd h LEU 219 Cb 0.44 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3ibd h LEU 219 CO -0.17 1.69 -0.33 0.49 0.09 0.00 0.00 178.44 180.20 3ibd n PHE 220 N -3.79 0.00 -0.27 1.13 3.72 -0.20 -3.49 117.46 114.56 3ibd n PHE 220 Ca -0.25 -1.29 0.15 0.00 -0.05 0.00 0.00 57.45 56.01 3ibd n PHE 220 Cb 0.97 -0.21 0.42 0.00 -0.94 0.00 0.00 39.48 39.72 3ibd n PHE 220 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ibd h SER 221 N 0.64 0.58 -0.84 4.37 4.64 -1.23 0.33 113.55 122.03 3ibd h SER 221 Ca -0.00 0.05 0.20 0.00 -0.47 0.00 0.00 61.79 61.56 3ibd h SER 221 Cb 1.02 -0.06 -0.12 0.00 -0.31 0.00 0.00 62.40 62.94 3ibd h SER 221 CO 0.00 0.25 0.32 1.23 -0.87 0.00 0.00 176.83 177.76 3ibd h GLY 222 N 0.59 1.35 0.00 -0.77 0.00 -1.86 -0.30 103.07 102.08 3ibd h GLY 222 Ca 0.48 -0.13 -0.18 0.00 0.00 0.00 0.00 47.33 47.51 3ibd h GLY 222 CO -0.22 -0.23 -1.93 1.97 0.00 0.00 0.00 176.54 176.13 3ibd n PHE 223 N -5.07 0.00 0.27 5.60 -1.74 -0.85 -4.53 117.46 111.14 3ibd n PHE 223 Ca 0.19 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.21 3ibd n PHE 223 Cb 0.58 -0.61 0.79 0.00 1.52 0.00 0.00 39.48 41.75 3ibd n PHE 223 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 3ibd h LEU 224 N 0.00 0.00 -2.55 5.98 3.38 -0.79 -2.79 115.31 118.54 3ibd h LEU 224 Ca -0.26 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3ibd h LEU 224 Cb 1.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 3ibd h LEU 224 CO 0.01 0.07 0.11 0.07 0.09 0.00 0.00 178.44 178.79 3ibd h LYS 225 N 0.00 0.00 0.00 1.13 2.10 -1.27 -2.05 116.57 116.47 3ibd h LYS 225 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3ibd h LYS 225 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 3ibd h LYS 225 CO 0.01 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.18 3ibd n HIS 226 N -3.30 0.00 -4.25 0.07 8.25 -1.05 -4.87 115.22 110.07 3ibd n HIS 226 Ca -0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.21 3ibd n HIS 226 Cb 0.19 -0.46 -0.07 0.00 1.12 0.00 0.00 29.99 30.77 3ibd n HIS 226 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3ibd s PHE 227 N -2.92 2.78 0.89 4.41 0.08 -0.77 -5.11 117.98 117.34 3ibd s PHE 227 Ca 0.16 -0.19 -0.11 0.00 0.12 0.00 0.00 56.93 56.91 3ibd s PHE 227 Cb 0.19 -1.26 0.11 0.00 -0.57 0.00 0.00 43.02 41.49 3ibd s PHE 227 CO 0.51 0.58 1.02 -2.30 -0.10 0.00 0.00 175.22 174.93 3ibd n PRO 228 N -0.76 -0.27 0.00 0.24 -0.02 -1.26 -4.90 135.00 128.03 3ibd n PRO 228 Ca -0.07 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 3ibd n PRO 228 Cb 0.58 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3ibd n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ibd n GLY 229 N 0.57 -0.55 0.35 -1.23 0.00 -1.26 -4.96 105.19 98.11 3ibd n GLY 229 Ca 0.11 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.81 3ibd n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibd h ALA 230 N 0.00 2.08 -0.32 4.61 0.00 -1.96 -0.44 119.26 123.23 3ibd h ALA 230 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ibd h ALA 230 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ibd h ALA 230 CO 0.00 -0.21 0.22 1.12 0.00 0.00 0.00 179.25 180.38 3ibd h HIS 231 N 0.33 0.26 -0.09 0.00 2.07 -1.93 -0.53 115.15 115.26 3ibd h HIS 231 Ca 0.26 0.01 -0.23 0.00 -2.85 0.00 0.00 60.37 57.55 3ibd h HIS 231 Cb 0.57 -0.09 0.01 0.00 2.57 0.00 0.00 27.41 30.48 3ibd h HIS 231 CO -0.00 0.15 -0.87 0.00 -3.07 0.00 0.00 177.93 174.14 3ibd h ARG 232 N 0.27 0.69 -0.78 5.12 3.08 -1.42 -2.39 114.38 118.94 3ibd h ARG 232 Ca 0.14 -0.63 -0.04 0.00 0.07 0.00 0.00 59.98 59.52 3ibd h ARG 232 Cb 0.22 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3ibd h ARG 232 CO -0.03 1.23 0.32 0.37 -1.07 0.00 0.00 179.97 180.80 3ibd h GLN 233 N 0.44 1.16 -0.60 0.04 5.75 -1.33 -1.04 115.11 119.54 3ibd h GLN 233 Ca -0.08 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.21 3ibd h GLN 233 Cb 1.50 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.83 3ibd h GLN 233 CO 0.17 0.93 0.30 0.28 -2.65 0.00 0.00 178.83 177.86 3ibd h VAL 234 N 1.13 1.20 -0.51 2.39 2.07 -1.09 0.06 116.25 121.51 3ibd h VAL 234 Ca 0.26 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3ibd h VAL 234 Cb 0.20 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3ibd h VAL 234 CO -0.02 0.23 0.14 0.22 0.02 0.00 0.00 177.57 178.15 3ibd h TYR 235 N 0.81 0.84 -0.66 1.57 3.20 -1.13 -1.02 116.97 120.58 3ibd h TYR 235 Ca 0.21 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 3ibd h TYR 235 Cb 0.09 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 3ibd h TYR 235 CO -0.01 0.74 0.31 -0.22 -1.64 0.00 0.00 178.16 177.34 3ibd h LYS 236 N 0.70 0.95 -0.29 1.82 3.64 -0.96 -0.69 116.57 121.74 3ibd h LYS 236 Ca 0.16 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3ibd h LYS 236 Cb 0.31 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3ibd h LYS 236 CO -0.00 0.76 0.11 -0.91 -2.27 0.00 0.00 179.45 177.14 3ibd h ASN 237 N 0.91 0.40 -0.82 4.20 2.35 -0.65 -2.29 115.58 119.68 3ibd h ASN 237 Ca 0.23 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3ibd h ASN 237 Cb 0.13 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 3ibd h ASN 237 CO -0.03 0.46 0.43 -0.07 -1.65 0.00 0.00 177.43 176.57 3ibd h LEU 238 N 0.32 1.05 -0.22 1.61 3.38 -1.06 -1.38 115.31 119.01 3ibd h LEU 238 Ca 0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ibd h LEU 238 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3ibd h LEU 238 CO -0.01 0.87 0.13 1.56 0.09 0.00 0.00 178.44 181.08 3ibd h GLN 239 N 1.17 0.30 -0.31 1.13 4.20 -1.00 0.78 115.11 121.38 3ibd h GLN 239 Ca 0.29 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 59.02 3ibd h GLN 239 Cb 0.07 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 3ibd h GLN 239 CO -0.04 0.25 0.05 0.93 -0.67 0.00 0.00 178.83 179.34 3ibd h GLU 240 N 0.27 0.15 -0.44 1.46 5.08 -1.24 -1.07 114.58 118.80 3ibd h GLU 240 Ca 0.08 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3ibd h GLU 240 Cb 0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3ibd h GLU 240 CO -0.01 0.10 0.27 0.82 -1.00 0.00 0.00 179.01 179.18 3ibd h ILE 241 N 0.16 1.14 0.00 3.13 2.04 -1.14 -2.76 117.51 120.07 3ibd h ILE 241 Ca 0.15 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 3ibd h ILE 241 Cb 0.17 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3ibd h ILE 241 CO -0.21 0.14 -0.24 -1.13 0.00 0.00 0.00 178.15 176.71 3ibd h ASN 242 N 0.58 0.00 -0.31 1.72 -1.24 -0.68 -1.83 115.58 113.82 3ibd h ASN 242 Ca 0.16 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 3ibd h ASN 242 Cb -0.01 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 3ibd h ASN 242 CO -0.03 0.24 0.16 0.00 -1.29 0.00 0.00 177.43 176.51 3ibd h ALA 243 N 1.76 0.39 -0.35 1.57 0.00 -1.06 0.23 119.26 121.81 3ibd h ALA 243 Ca -0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ibd h ALA 243 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ibd h ALA 243 CO 0.03 -0.06 0.20 -0.92 0.00 0.00 0.00 179.25 178.51 3ibd h TYR 244 N 0.37 0.38 0.27 0.00 3.20 -1.10 -1.87 116.97 118.22 3ibd h TYR 244 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3ibd h TYR 244 Cb 0.10 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3ibd h TYR 244 CO -0.02 0.22 -0.13 0.82 -1.64 0.00 0.00 178.16 177.41 3ibd h ILE 245 N 0.41 0.74 -0.94 1.81 2.04 -1.28 -1.59 117.51 118.69 3ibd h ILE 245 Ca 0.14 -0.05 0.13 0.00 1.00 0.00 0.00 64.86 66.08 3ibd h ILE 245 Cb 0.00 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 3ibd h ILE 245 CO -0.06 0.01 0.60 1.23 0.00 0.00 0.00 178.15 179.93 3ibd h GLY 246 N -0.39 1.43 0.97 5.37 0.00 -0.48 0.24 103.07 110.21 3ibd h GLY 246 Ca -0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 3ibd h GLY 246 CO 0.06 0.13 -0.12 0.84 0.00 0.00 0.00 176.54 177.45 3ibd h HIS 247 N 0.86 0.84 -0.20 5.60 -0.00 -1.09 -0.77 115.15 120.38 3ibd h HIS 247 Ca 0.47 -0.19 -0.15 0.00 -0.00 0.00 0.00 60.37 60.50 3ibd h HIS 247 Cb 0.58 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.78 3ibd h HIS 247 CO -0.00 0.90 -0.49 1.03 -0.00 0.00 0.00 177.93 179.36 3ibd h SER 248 N 0.54 0.60 -0.71 3.26 0.87 -0.37 -1.77 113.55 115.97 3ibd h SER 248 Ca 0.09 -0.30 -0.05 0.00 -1.23 0.00 0.00 61.79 60.30 3ibd h SER 248 Cb 0.65 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 3ibd h SER 248 CO 0.04 0.99 0.23 0.58 -0.53 0.00 0.00 176.83 178.15 3ibd h VAL 249 N 0.43 1.26 -0.87 2.23 2.07 -0.44 -2.14 116.25 118.78 3ibd h VAL 249 Ca 0.02 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3ibd h VAL 249 Cb 1.02 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3ibd h VAL 249 CO 0.09 0.34 0.46 -0.08 0.02 0.00 0.00 177.57 178.41 3ibd h GLU 250 N 1.04 1.23 -0.76 1.57 4.57 -0.93 -1.31 114.58 119.99 3ibd h GLU 250 Ca 0.23 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3ibd h GLU 250 Cb 0.29 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 3ibd h GLU 250 CO -0.01 0.91 0.31 0.87 -1.18 0.00 0.00 179.01 179.91 3ibd h LYS 251 N 1.23 1.12 -0.44 1.92 1.79 -1.17 -1.82 116.57 119.20 3ibd h LYS 251 Ca 0.31 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 3ibd h LYS 251 Cb 0.05 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.49 3ibd h LYS 251 CO -0.05 0.90 0.29 0.45 -1.08 0.00 0.00 179.45 179.97 3ibd h HIS 252 N 1.10 0.55 -0.93 -1.35 3.86 -1.00 -2.11 115.15 115.26 3ibd h HIS 252 Ca 0.25 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.48 3ibd h HIS 252 Cb 0.19 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.43 3ibd h HIS 252 CO 0.02 0.34 0.61 0.00 0.86 0.00 0.00 177.93 179.76 3ibd h ARG 253 N 0.59 1.24 -0.02 2.45 3.08 -1.05 -0.86 114.38 119.81 3ibd h ARG 253 Ca 0.16 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 3ibd h ARG 253 Cb -0.07 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.69 3ibd h ARG 253 CO -0.04 0.83 -0.55 0.93 -1.07 0.00 0.00 179.97 180.08 3ibd h GLU 254 N 1.27 0.06 -0.33 0.04 5.08 -1.25 -3.16 114.58 116.30 3ibd h GLU 254 Ca 0.34 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3ibd h GLU 254 Cb -0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3ibd h GLU 254 CO -0.07 0.59 0.00 0.25 -1.00 0.00 0.00 179.01 178.78 3ibd n THR 255 N -3.90 1.18 -1.66 1.13 -2.24 -0.80 -5.03 114.28 102.95 3ibd n THR 255 Ca -0.02 -1.12 -0.45 0.00 -2.27 0.00 0.00 64.05 60.19 3ibd n THR 255 Cb 0.56 0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 69.15 3ibd n THR 255 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3ibd n LEU 256 N 0.35 3.78 -4.17 3.22 7.94 -0.34 -4.96 117.00 122.82 3ibd n LEU 256 Ca 0.13 0.90 -0.36 0.00 -1.11 0.00 0.00 56.01 55.56 3ibd n LEU 256 Cb 0.49 -1.45 -0.13 0.00 0.53 0.00 0.00 43.42 42.86 3ibd n LEU 256 CO 0.09 0.04 -0.27 -0.62 -1.11 0.00 0.00 177.39 175.52 3ibd s ASP 257 N 4.52 5.11 0.40 1.96 2.15 -1.26 -5.00 116.67 124.55 3ibd s ASP 257 Ca 0.92 -1.52 0.11 0.00 0.43 0.00 0.00 52.55 52.48 3ibd s ASP 257 Cb -0.55 -1.79 0.92 0.00 -0.30 0.00 0.00 42.92 41.20 3ibd s ASP 257 CO 0.46 -0.38 1.96 -0.65 -0.17 0.00 0.00 175.17 176.40 3ibd h PRO 258 N 8.06 0.53 0.00 4.34 0.11 -2.00 -0.70 132.00 142.34 3ibd h PRO 258 Ca -0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3ibd h PRO 258 Cb 1.06 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3ibd h PRO 258 CO 0.61 0.35 0.00 -1.13 -0.21 0.00 0.00 178.00 177.62 3ibd n SER 259 N -4.48 0.06 -3.34 -2.05 3.41 -1.26 -4.15 113.62 101.81 3ibd n SER 259 Ca 0.11 0.51 -0.26 0.00 -0.26 0.00 0.00 58.87 58.96 3ibd n SER 259 Cb 0.34 -0.52 -0.09 0.00 -0.26 0.00 0.00 64.21 63.67 3ibd n SER 259 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ibd n ALA 260 N -1.52 2.73 -2.07 7.33 0.00 -0.28 -5.11 120.51 121.60 3ibd n ALA 260 Ca 0.06 -3.15 -0.42 0.00 0.00 0.00 0.00 53.44 49.94 3ibd n ALA 260 Cb 0.31 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 3ibd n ALA 260 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ibd s PRO 261 N -0.20 4.34 -0.04 0.00 0.04 -1.18 -4.57 135.00 133.40 3ibd s PRO 261 Ca 0.33 2.09 0.10 0.00 0.04 0.00 0.00 61.00 63.56 3ibd s PRO 261 Cb 0.07 -3.21 -0.23 0.00 0.04 0.00 0.00 34.50 31.16 3ibd s PRO 261 CO -0.18 -0.36 0.69 0.00 0.04 0.00 0.00 177.00 177.20 3ibd h ARG 262 N 6.02 0.04 -2.47 4.56 3.08 -1.93 -3.49 114.38 120.17 3ibd h ARG 262 Ca -0.44 -0.06 0.16 0.00 0.07 0.00 0.00 59.98 59.71 3ibd h ARG 262 Cb 1.21 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.24 3ibd h ARG 262 CO 0.82 0.63 0.54 0.16 -1.07 0.00 0.00 179.97 181.04 3ibd s ASP 263 N -6.27 -0.05 0.26 7.04 1.47 -1.26 -4.61 116.67 113.25 3ibd s ASP 263 Ca -0.06 -0.61 -0.01 0.00 1.18 0.00 0.00 52.55 53.05 3ibd s ASP 263 Cb 0.08 0.51 0.54 0.00 -0.34 0.00 0.00 42.92 43.71 3ibd s ASP 263 CO 0.82 -0.99 1.73 0.25 0.68 0.00 0.00 175.17 177.66 3ibd h LEU 264 N 2.00 0.36 -0.64 2.11 5.85 -1.22 -2.15 115.31 121.63 3ibd h LEU 264 Ca -0.27 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.59 3ibd h LEU 264 Cb 1.22 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 3ibd h LEU 264 CO 0.33 0.12 0.40 0.40 -0.34 0.00 0.00 178.44 179.34 3ibd h ILE 265 N 0.49 1.09 -0.95 4.05 1.08 -1.68 -0.87 117.51 120.73 3ibd h ILE 265 Ca 0.46 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.67 3ibd h ILE 265 Cb 0.73 0.24 -0.05 0.00 -3.07 0.00 0.00 36.82 34.67 3ibd h ILE 265 CO -0.42 0.14 0.62 0.44 -0.69 0.00 0.00 178.15 178.24 3ibd h ASP 266 N 0.79 1.09 -0.42 1.72 5.19 -1.68 0.42 116.42 123.53 3ibd h ASP 266 Ca 0.25 -0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.65 3ibd h ASP 266 Cb 0.00 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.21 3ibd h ASP 266 CO -0.10 0.80 0.24 0.74 -3.12 0.00 0.00 179.24 177.81 3ibd h THR 267 N 1.29 1.04 -0.22 0.35 2.02 -0.83 -0.83 112.91 115.73 3ibd h THR 267 Ca 0.35 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.33 3ibd h THR 267 Cb -0.14 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3ibd h THR 267 CO -0.07 0.09 0.03 1.88 0.37 0.00 0.00 175.52 177.82 3ibd h TYR 268 N 0.49 0.39 -0.42 3.16 0.05 -0.77 -2.46 116.97 117.42 3ibd h TYR 268 Ca 0.17 -0.06 0.06 0.00 0.05 0.00 0.00 58.73 58.95 3ibd h TYR 268 Cb 0.01 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 37.59 3ibd h TYR 268 CO -0.07 0.51 0.11 -0.07 -1.05 0.00 0.00 178.16 177.59 3ibd h LEU 269 N 0.16 0.08 -0.51 3.88 3.38 -0.83 0.15 115.31 121.62 3ibd h LEU 269 Ca 0.07 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3ibd h LEU 269 Cb 0.33 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3ibd h LEU 269 CO 0.01 0.08 0.00 -0.07 0.09 0.00 0.00 178.44 178.55 3ibd h LEU 270 N 0.26 0.89 0.46 1.67 3.38 -1.12 -1.19 115.31 119.66 3ibd h LEU 270 Ca 0.20 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3ibd h LEU 270 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ibd h LEU 270 CO -0.23 0.98 -0.28 -0.74 0.09 0.00 0.00 178.44 178.25 3ibd h HIS 271 N 0.77 -0.75 -0.91 1.13 2.76 -1.34 -1.60 115.15 115.22 3ibd h HIS 271 Ca 0.15 -0.01 0.22 0.00 -2.20 0.00 0.00 60.37 58.52 3ibd h HIS 271 Cb 0.52 0.27 -0.12 0.00 1.55 0.00 0.00 27.41 29.63 3ibd h HIS 271 CO 0.04 -0.44 0.43 1.98 -1.30 0.00 0.00 177.93 178.64 3ibd h MET 272 N -0.71 0.44 -0.09 5.26 -1.53 -0.80 0.14 114.93 117.65 3ibd h MET 272 Ca -0.05 -0.03 -0.11 0.00 -3.44 0.00 0.00 59.70 56.07 3ibd h MET 272 Cb 0.58 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.52 3ibd h MET 272 CO 0.05 0.29 -0.45 0.93 0.14 0.00 0.00 176.91 177.87 3ibd h GLU 273 N 0.46 0.21 0.20 0.39 5.08 -0.93 0.58 114.58 120.56 3ibd h GLU 273 Ca 0.56 -0.10 -0.32 0.00 -1.00 0.00 0.00 59.36 58.50 3ibd h GLU 273 Cb 1.04 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.31 3ibd h GLU 273 CO -0.50 0.62 -1.45 0.87 -1.00 0.00 0.00 179.01 177.55 3ibd h LYS 274 N 0.17 0.42 -0.23 2.33 1.57 -0.21 -3.23 116.57 117.38 3ibd h LYS 274 Ca 0.01 -0.72 0.00 0.00 -1.87 0.00 0.00 60.65 58.07 3ibd h LYS 274 Cb 0.86 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3ibd h LYS 274 CO 0.07 1.33 0.00 0.39 -0.57 0.00 0.00 179.45 180.67 3ibd n GLU 275 N -3.62 2.00 -0.05 3.15 1.02 0.37 -4.35 120.64 119.15 3ibd n GLU 275 Ca -0.15 -1.50 0.01 0.00 -0.02 0.00 0.00 57.16 55.50 3ibd n GLU 275 Cb 1.07 -1.43 0.33 0.00 -0.02 0.00 0.00 31.44 31.39 3ibd n GLU 275 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3ibd h LYS 276 N 3.02 0.65 -0.82 3.49 3.64 0.15 -3.00 116.57 123.70 3ibd h LYS 276 Ca 0.00 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 3ibd h LYS 276 Cb 0.66 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 3ibd h LYS 276 CO 0.00 0.51 0.35 1.03 -2.27 0.00 0.00 179.45 179.08 3ibd h SER 277 N 0.65 1.11 -3.31 4.20 0.87 -1.80 -3.43 113.55 111.84 3ibd h SER 277 Ca 0.16 -0.16 -0.65 0.00 -1.23 0.00 0.00 61.79 59.92 3ibd h SER 277 Cb 0.08 -0.29 -0.25 0.00 -0.44 0.00 0.00 62.40 61.51 3ibd h SER 277 CO -0.02 0.96 -0.72 0.54 -0.53 0.00 0.00 176.83 177.05 3ibd s ASN 278 N -6.33 4.33 -1.31 6.23 2.20 -1.13 -5.05 114.94 113.88 3ibd s ASN 278 Ca -0.12 -0.25 -0.12 0.00 -0.94 0.00 0.00 52.86 51.43 3ibd s ASN 278 Cb 0.16 -1.68 0.13 0.00 -2.00 0.00 0.00 41.25 37.86 3ibd s ASN 278 CO 0.84 0.16 1.88 0.00 -2.94 0.00 0.00 177.10 177.04 3ibd n ALA 279 N 3.55 5.01 -2.74 3.54 0.00 -1.26 -4.77 120.51 123.83 3ibd n ALA 279 Ca -0.18 -4.17 -0.08 0.00 0.00 0.00 0.00 53.44 49.01 3ibd n ALA 279 Cb 0.53 -3.17 -0.11 0.00 0.00 0.00 0.00 19.45 16.69 3ibd n ALA 279 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3ibd s HIS 280 N 1.55 0.33 -1.18 0.00 0.00 -1.26 -4.61 115.29 110.11 3ibd s HIS 280 Ca 0.43 -0.67 -0.15 0.00 -3.00 0.00 0.00 55.06 51.67 3ibd s HIS 280 Cb 0.08 -0.24 0.15 0.00 -4.00 0.00 0.00 32.58 28.57 3ibd s HIS 280 CO -0.01 -0.24 0.37 0.43 -1.00 0.00 0.00 174.74 174.29 3ibd n SER 281 N 1.20 -1.46 -4.74 7.38 7.64 -1.26 -4.42 113.62 117.96 3ibd n SER 281 Ca -0.21 -0.62 -0.42 0.00 1.01 0.00 0.00 58.87 58.63 3ibd n SER 281 Cb 0.57 -1.31 -0.02 0.00 -1.01 0.00 0.00 64.21 62.43 3ibd n SER 281 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3ibd s GLU 282 N -6.14 4.19 0.27 1.43 2.12 -1.26 -4.88 118.70 114.42 3ibd s GLU 282 Ca 0.52 2.45 -0.01 0.00 0.36 0.00 0.00 54.97 58.29 3ibd s GLU 282 Cb -0.31 -3.09 0.37 0.00 0.26 0.00 0.00 34.13 31.37 3ibd s GLU 282 CO 0.64 -0.58 1.79 0.27 -0.54 0.00 0.00 175.26 176.85 3ibd h PHE 283 N 5.59 0.83 0.00 5.30 -5.15 -1.88 -3.22 116.94 118.41 3ibd h PHE 283 Ca -0.45 -0.10 0.00 0.00 -0.20 0.00 0.00 57.97 57.22 3ibd h PHE 283 Cb 1.21 -0.23 0.00 0.00 0.22 0.00 0.00 35.95 37.15 3ibd h PHE 283 CO 0.61 0.74 0.00 0.43 -2.00 0.00 0.00 178.31 178.09 3ibd n SER 284 N -4.24 0.00 -1.83 -0.68 7.64 -1.26 -0.01 113.62 113.24 3ibd n SER 284 Ca 0.03 -0.73 0.01 0.00 1.01 0.00 0.00 58.87 59.19 3ibd n SER 284 Cb 0.27 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 63.80 3ibd n SER 284 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ibd n HIS 285 N -0.96 2.06 -4.40 1.43 1.44 -1.22 -4.94 115.22 108.64 3ibd n HIS 285 Ca 0.15 -0.86 -0.20 0.00 -2.01 0.00 0.00 57.72 54.80 3ibd n HIS 285 Cb 0.07 -0.55 -0.10 0.00 0.12 0.00 0.00 29.99 29.52 3ibd n HIS 285 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 3ibd s GLN 286 N -2.67 1.47 -0.14 -1.40 -0.21 0.99 -4.97 119.66 112.74 3ibd s GLN 286 Ca 0.50 -1.71 -0.02 0.00 0.02 0.00 0.00 55.36 54.15 3ibd s GLN 286 Cb 0.39 -1.19 0.05 0.00 1.00 0.00 0.00 33.01 33.25 3ibd s GLN 286 CO 0.13 0.12 0.01 1.21 -2.12 0.00 0.00 175.29 174.65 3ibd s ASN 287 N -3.40 2.40 0.24 5.90 3.84 -1.26 -5.03 114.94 117.64 3ibd s ASN 287 Ca 0.27 -0.52 -0.06 0.00 0.21 0.00 0.00 52.86 52.75 3ibd s ASN 287 Cb 0.01 -0.58 0.24 0.00 -0.55 0.00 0.00 41.25 40.37 3ibd s ASN 287 CO 0.10 -0.25 1.90 0.25 -2.79 0.00 0.00 177.10 176.31 3ibd h LEU 288 N 8.26 1.15 -0.17 3.21 6.46 -1.99 -0.73 115.31 131.50 3ibd h LEU 288 Ca -0.19 -0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.45 3ibd h LEU 288 Cb 1.12 -0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.76 3ibd h LEU 288 CO 0.32 0.87 -0.15 0.78 -0.62 0.00 0.00 178.44 179.64 3ibd h ASN 289 N 1.33 0.43 -0.57 1.25 2.35 -1.97 -2.02 115.58 116.38 3ibd h ASN 289 Ca 0.35 -0.47 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 3ibd h ASN 289 Cb -0.08 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3ibd h ASN 289 CO -0.07 0.81 0.02 -0.07 -1.65 0.00 0.00 177.43 176.46 3ibd h LEU 290 N 0.05 0.97 -0.50 1.61 3.38 -1.95 -0.46 115.31 118.42 3ibd h LEU 290 Ca 0.03 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.79 3ibd h LEU 290 Cb 0.68 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 3ibd h LEU 290 CO 0.04 1.03 0.08 0.78 0.09 0.00 0.00 178.44 180.46 3ibd h ASN 291 N 0.88 -0.04 -0.17 -0.43 2.35 -1.12 -0.75 115.58 116.29 3ibd h ASN 291 Ca 0.16 0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 3ibd h ASN 291 Cb 0.52 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 3ibd h ASN 291 CO 0.03 0.01 -0.06 0.74 -1.65 0.00 0.00 177.43 176.49 3ibd h THR 292 N 0.21 1.30 -0.71 2.81 2.02 -1.13 -2.29 112.91 115.13 3ibd h THR 292 Ca 0.25 -1.07 0.04 0.00 0.77 0.00 0.00 66.41 66.40 3ibd h THR 292 Cb 0.35 1.65 -0.05 0.00 -1.74 0.00 0.00 68.15 68.36 3ibd h THR 292 CO -0.34 0.32 0.44 0.25 0.37 0.00 0.00 175.52 176.55 3ibd h LEU 293 N 0.04 0.71 -1.40 2.58 5.85 -0.98 -1.73 115.31 120.37 3ibd h LEU 293 Ca 0.04 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3ibd h LEU 293 Cb 0.52 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3ibd h LEU 293 CO 0.02 0.48 -0.26 0.77 -0.34 0.00 0.00 178.44 179.12 3ibd h SER 294 N 0.84 0.06 -0.14 1.25 4.64 -1.02 0.14 113.55 119.32 3ibd h SER 294 Ca 0.29 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3ibd h SER 294 Cb 0.05 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3ibd h SER 294 CO -0.12 0.33 0.07 -0.07 -0.87 0.00 0.00 176.83 176.17 3ibd h LEU 295 N 0.06 0.18 -0.59 5.97 3.38 -0.78 0.65 115.31 124.19 3ibd h LEU 295 Ca 0.01 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3ibd h LEU 295 Cb 0.49 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3ibd h LEU 295 CO 0.04 0.25 0.36 -0.26 0.09 0.00 0.00 178.44 178.91 3ibd h PHE 296 N 0.11 0.66 0.14 1.13 0.04 -0.89 0.74 116.94 118.87 3ibd h PHE 296 Ca 0.05 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 3ibd h PHE 296 Cb 0.11 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 3ibd h PHE 296 CO -0.03 0.37 -0.08 0.35 -0.60 0.00 0.00 178.31 178.32 3ibd h PHE 297 N 0.70 -0.20 -0.28 -0.55 3.57 -0.42 -2.00 116.94 117.77 3ibd h PHE 297 Ca 0.24 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.59 3ibd h PHE 297 Cb 0.04 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3ibd h PHE 297 CO -0.06 -0.12 -0.43 0.00 -2.23 0.00 0.00 178.31 175.47 3ibd h ALA 298 N 0.66 0.73 0.00 2.41 0.00 -0.89 -3.37 119.26 118.79 3ibd h ALA 298 Ca -0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3ibd h ALA 298 Cb 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ibd h ALA 298 CO 0.02 0.66 -0.32 0.78 0.00 0.00 0.00 179.25 180.39 3ibd h GLY 299 N 0.96 0.00 0.00 0.00 0.00 -0.66 -3.41 103.07 99.97 3ibd h GLY 299 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.04 3ibd h GLY 299 CO 0.09 0.00 -1.89 -1.30 0.00 0.00 0.00 176.54 173.44 3ibd n THR 300 N -3.03 1.53 -0.05 4.70 -2.24 -0.77 -4.63 114.28 109.79 3ibd n THR 300 Ca 0.02 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 3ibd n THR 300 Cb 0.57 -1.99 -0.09 0.00 -2.10 0.00 0.00 70.33 66.73 3ibd n THR 300 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ibd h GLU 301 N -1.00 -0.02 -0.80 -0.78 4.39 -1.78 -2.55 114.58 112.05 3ibd h GLU 301 Ca -0.51 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.30 3ibd h GLU 301 Cb 1.42 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.00 3ibd h GLU 301 CO -0.31 0.64 0.42 1.15 -1.16 0.00 0.00 179.01 179.75 3ibd h THR 302 N -0.98 0.84 -0.11 1.13 2.02 -1.87 0.10 112.91 114.04 3ibd h THR 302 Ca -0.00 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3ibd h THR 302 Cb 0.66 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3ibd h THR 302 CO 0.00 0.12 0.03 0.74 0.37 0.00 0.00 175.52 176.79 3ibd h THR 303 N 0.68 1.19 -0.33 3.16 2.02 -1.82 -0.45 112.91 117.36 3ibd h THR 303 Ca 0.40 -0.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 3ibd h THR 303 Cb 0.45 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 3ibd h THR 303 CO -0.29 0.17 0.02 0.77 0.37 0.00 0.00 175.52 176.56 3ibd h SER 304 N -0.02 0.47 0.43 4.18 4.64 -1.18 -1.53 113.55 120.53 3ibd h SER 304 Ca 0.03 -0.08 -0.14 0.00 -0.47 0.00 0.00 61.79 61.14 3ibd h SER 304 Cb 0.24 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3ibd h SER 304 CO -0.00 0.52 -0.60 0.74 -0.87 0.00 0.00 176.83 176.63 3ibd h THR 305 N 0.49 1.40 -0.50 2.95 2.02 -0.70 -0.78 112.91 117.78 3ibd h THR 305 Ca 0.11 -1.98 -0.05 0.00 0.77 0.00 0.00 66.41 65.26 3ibd h THR 305 Cb 0.29 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 3ibd h THR 305 CO 0.01 0.58 0.13 0.74 0.37 0.00 0.00 175.52 177.35 3ibd h THR 306 N 0.13 1.24 -0.59 3.16 2.02 -0.55 -1.07 112.91 117.25 3ibd h THR 306 Ca -0.01 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 3ibd h THR 306 Cb 1.08 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 3ibd h THR 306 CO 0.09 0.30 0.27 -0.07 0.37 0.00 0.00 175.52 176.48 3ibd h LEU 307 N 0.69 0.78 -0.33 2.58 3.38 -1.01 -0.52 115.31 120.88 3ibd h LEU 307 Ca 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3ibd h LEU 307 Cb 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3ibd h LEU 307 CO 0.00 0.70 0.10 0.03 0.09 0.00 0.00 178.44 179.36 3ibd h ARG 308 N 0.81 0.51 -0.61 1.13 3.08 -0.89 -1.53 114.38 116.88 3ibd h ARG 308 Ca 0.20 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3ibd h ARG 308 Cb 0.14 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3ibd h ARG 308 CO -0.02 0.56 0.29 1.88 -1.07 0.00 0.00 179.97 181.60 3ibd h TYR 309 N 0.37 0.88 -0.51 3.04 0.05 -1.14 -2.60 116.97 117.06 3ibd h TYR 309 Ca 0.10 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 3ibd h TYR 309 Cb 0.26 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 3ibd h TYR 309 CO 0.01 0.67 0.26 0.78 -1.05 0.00 0.00 178.16 178.83 3ibd h GLY 310 N 0.83 0.77 1.87 3.88 0.00 -0.66 -0.65 103.07 109.11 3ibd h GLY 310 Ca 0.21 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 3ibd h GLY 310 CO -0.03 0.35 -0.41 0.74 0.00 0.00 0.00 176.54 177.19 3ibd h PHE 311 N 0.67 0.17 -0.39 5.60 0.04 -1.28 -1.65 116.94 120.10 3ibd h PHE 311 Ca 0.18 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 3ibd h PHE 311 Cb 0.08 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3ibd h PHE 311 CO -0.01 0.54 0.12 1.25 -0.60 0.00 0.00 178.31 179.61 3ibd h LEU 312 N 0.13 0.58 -1.21 1.54 5.85 -1.11 -1.50 115.31 119.59 3ibd h LEU 312 Ca 0.01 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.54 3ibd h LEU 312 Cb 0.78 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3ibd h LEU 312 CO 0.06 0.64 0.54 -0.07 -0.34 0.00 0.00 178.44 179.27 3ibd h LEU 313 N 0.49 0.92 -1.18 2.25 3.38 -1.06 -1.12 115.31 119.00 3ibd h LEU 313 Ca 0.13 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3ibd h LEU 313 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3ibd h LEU 313 CO -0.00 0.65 -0.37 0.24 0.09 0.00 0.00 178.44 179.05 3ibd h MET 314 N 1.07 0.00 -0.14 1.13 2.86 -0.93 -0.10 114.93 118.83 3ibd h MET 314 Ca 0.31 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.76 3ibd h MET 314 Cb -0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.59 3ibd h MET 314 CO -0.08 0.37 -0.69 -0.07 1.06 0.00 0.00 176.91 177.50 3ibd h LEU 315 N 0.00 0.70 -0.32 1.22 3.38 -0.65 -3.02 115.31 116.62 3ibd h LEU 315 Ca -0.00 -0.43 -0.19 0.00 0.09 0.00 0.00 57.88 57.35 3ibd h LEU 315 Cb 0.75 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3ibd h LEU 315 CO 0.05 1.19 -0.85 0.50 0.09 0.00 0.00 178.44 179.42 3ibd h LYS 316 N 0.42 0.18 -2.18 1.13 3.64 -0.83 -3.37 116.57 115.56 3ibd h LYS 316 Ca -0.03 -0.19 -0.59 0.00 -1.27 0.00 0.00 60.65 58.57 3ibd h LYS 316 Cb 1.28 0.05 -0.42 0.00 -0.41 0.00 0.00 32.23 32.74 3ibd h LYS 316 CO 0.13 0.92 -0.67 0.66 -2.27 0.00 0.00 179.45 178.23 3ibd n TYR 317 N -3.67 3.05 0.26 1.91 4.02 -0.08 -4.78 117.16 117.86 3ibd n TYR 317 Ca -0.03 -4.07 0.10 0.00 -0.01 0.00 0.00 57.90 53.89 3ibd n TYR 317 Cb 0.79 -0.53 0.67 0.00 -0.02 0.00 0.00 39.34 40.26 3ibd n TYR 317 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3ibd h PRO 318 N 4.18 0.00 0.00 -0.72 0.13 -1.69 0.16 132.00 134.05 3ibd h PRO 318 Ca 0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 3ibd h PRO 318 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 3ibd h PRO 318 CO 0.78 0.11 -0.12 0.45 -0.23 0.00 0.00 178.00 178.99 3ibd h HIS 319 N 0.00 0.00 0.20 1.56 3.86 -1.93 -2.15 115.15 116.69 3ibd h HIS 319 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3ibd h HIS 319 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3ibd h HIS 319 CO 0.00 0.12 -0.09 0.28 0.86 0.00 0.00 177.93 179.09 3ibd h VAL 320 N 0.00 0.88 -0.81 2.45 2.07 -1.29 -1.09 116.25 118.46 3ibd h VAL 320 Ca -0.00 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.14 3ibd h VAL 320 Cb 0.22 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3ibd h VAL 320 CO 0.02 0.10 0.53 0.00 0.02 0.00 0.00 177.57 178.24 3ibd h ALA 321 N 0.28 1.57 -0.56 1.67 0.00 -1.54 -2.15 119.26 118.52 3ibd h ALA 321 Ca -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ibd h ALA 321 Cb 0.36 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3ibd h ALA 321 CO 0.04 0.32 0.35 0.93 0.00 0.00 0.00 179.25 180.90 3ibd h GLU 322 N 0.93 0.68 -0.35 0.00 5.08 -1.20 -1.93 114.58 117.80 3ibd h GLU 322 Ca 0.34 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.57 3ibd h GLU 322 Cb 0.16 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3ibd h GLU 322 CO -0.11 0.45 -0.17 0.00 -1.00 0.00 0.00 179.01 178.18 3ibd h ARG 323 N 0.70 0.65 -0.56 2.33 3.08 -0.81 -2.21 114.38 117.56 3ibd h ARG 323 Ca 0.22 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3ibd h ARG 323 Cb -0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3ibd h ARG 323 CO -0.08 0.79 0.32 0.28 -1.07 0.00 0.00 179.97 180.21 3ibd h VAL 324 N 0.58 1.18 -0.75 2.04 2.07 -1.16 -2.87 116.25 117.35 3ibd h VAL 324 Ca 0.09 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.24 3ibd h VAL 324 Cb 0.62 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 3ibd h VAL 324 CO 0.04 0.19 0.44 0.22 0.02 0.00 0.00 177.57 178.49 3ibd h TYR 325 N 0.75 0.82 -0.81 1.57 3.20 -1.08 -1.79 116.97 119.63 3ibd h TYR 325 Ca 0.20 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.12 3ibd h TYR 325 Cb 0.02 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 37.98 3ibd h TYR 325 CO -0.02 0.42 0.52 0.00 -1.64 0.00 0.00 178.16 177.44 3ibd h ARG 326 N 0.82 1.00 -0.51 1.82 3.08 -1.26 0.29 114.38 119.62 3ibd h ARG 326 Ca 0.32 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 3ibd h ARG 326 Cb 0.15 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3ibd h ARG 326 CO -0.17 0.66 0.16 1.49 -1.07 0.00 0.00 179.97 181.04 3ibd h GLU 327 N 1.03 0.80 -0.47 0.04 4.81 -1.28 -1.91 114.58 117.59 3ibd h GLU 327 Ca 0.32 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3ibd h GLU 327 Cb -0.02 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 3ibd h GLU 327 CO -0.10 0.74 0.27 0.82 -0.73 0.00 0.00 179.01 180.01 3ibd h ILE 328 N 0.70 1.03 -0.38 2.32 2.04 -0.78 0.79 117.51 123.23 3ibd h ILE 328 Ca 0.16 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3ibd h ILE 328 Cb 0.28 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3ibd h ILE 328 CO -0.00 0.10 0.25 -0.08 0.00 0.00 0.00 178.15 178.41 3ibd h GLU 329 N 0.54 0.51 -0.06 2.37 4.81 -0.36 0.22 114.58 122.61 3ibd h GLU 329 Ca 0.19 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3ibd h GLU 329 Cb 0.03 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 3ibd h GLU 329 CO -0.10 0.35 0.01 0.37 -0.73 0.00 0.00 179.01 178.91 3ibd h GLN 330 N 0.51 0.09 0.10 1.92 5.75 -1.25 -3.00 115.11 119.24 3ibd h GLN 330 Ca 0.14 -0.02 -0.33 0.00 -0.15 0.00 0.00 58.65 58.29 3ibd h GLN 330 Cb -0.04 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3ibd h GLN 330 CO -0.03 0.32 -1.72 0.28 -2.65 0.00 0.00 178.83 175.02 3ibd h VAL 331 N -0.15 0.92 0.00 2.39 2.07 -0.76 -3.42 116.25 117.29 3ibd h VAL 331 Ca 0.02 -2.62 -0.24 0.00 0.82 0.00 0.00 66.70 64.68 3ibd h VAL 331 Cb 0.27 2.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 3ibd h VAL 331 CO 0.00 0.78 -1.87 -0.38 0.02 0.00 0.00 177.57 176.13 3ibd n ILE 332 N -3.40 0.86 -0.96 4.57 5.41 0.60 -5.07 119.36 121.37 3ibd n ILE 332 Ca -0.22 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.25 3ibd n ILE 332 Cb 1.05 -1.31 0.00 0.00 -0.71 0.00 0.00 39.64 38.67 3ibd n ILE 332 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ibd n GLY 333 N 2.46 -2.65 0.18 7.39 0.00 -0.22 -4.47 105.19 107.88 3ibd n GLY 333 Ca -0.28 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.13 3ibd n GLY 333 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ibd n PRO 334 N -0.37 0.58 -0.10 1.61 -0.04 -1.26 -4.59 135.00 130.82 3ibd n PRO 334 Ca 0.00 -0.35 -0.18 0.00 -0.04 0.00 0.00 63.50 62.93 3ibd n PRO 334 Cb 0.00 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 3ibd n PRO 334 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3ibd n HIS 335 N -0.90 0.00 -3.46 0.54 8.25 -1.26 -5.01 115.22 113.38 3ibd n HIS 335 Ca 0.10 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.22 3ibd n HIS 335 Cb 0.35 -0.75 -0.05 0.00 1.12 0.00 0.00 29.99 30.65 3ibd n HIS 335 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3ibd s ARG 336 N -2.39 3.83 0.37 -0.41 1.70 -1.26 -5.05 118.95 115.74 3ibd s ARG 336 Ca -0.28 0.28 -0.26 0.00 -0.47 0.00 0.00 55.73 55.01 3ibd s ARG 336 Cb 0.09 -2.82 -0.09 0.00 -0.57 0.00 0.00 34.95 31.56 3ibd s ARG 336 CO 0.41 0.43 1.13 -1.25 -1.08 0.00 0.00 175.30 174.94 3ibd s PRO 337 N -2.36 4.23 0.55 3.89 0.04 -1.26 -4.86 135.00 135.23 3ibd s PRO 337 Ca 0.41 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 63.01 3ibd s PRO 337 Cb -0.13 -2.78 -0.06 0.00 0.04 0.00 0.00 34.50 31.57 3ibd s PRO 337 CO 0.20 -0.15 1.03 -2.30 0.04 0.00 0.00 177.00 175.82 3ibd n PRO 338 N 0.32 1.13 -4.18 0.56 -0.02 -1.26 -5.01 135.00 126.54 3ibd n PRO 338 Ca 0.03 0.42 -0.11 0.00 -2.02 0.00 0.00 63.50 61.82 3ibd n PRO 338 Cb 0.47 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.65 3ibd n PRO 338 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3ibd s GLU 339 N -2.59 0.86 0.38 -0.52 2.02 -1.26 -4.98 118.70 112.60 3ibd s GLU 339 Ca 0.72 -1.32 0.14 0.00 0.02 0.00 0.00 54.97 54.53 3ibd s GLU 339 Cb -0.45 -0.29 0.75 0.00 0.10 0.00 0.00 34.13 34.24 3ibd s GLU 339 CO 0.50 0.00 1.83 -0.07 0.02 0.00 0.00 175.26 177.54 3ibd h LEU 340 N 3.03 0.00 -2.06 1.80 4.07 -1.97 -1.88 115.31 118.30 3ibd h LEU 340 Ca -0.36 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.65 3ibd h LEU 340 Cb 1.17 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 3ibd h LEU 340 CO 0.63 0.37 0.11 -0.74 -1.08 0.00 0.00 178.44 177.73 3ibd h HIS 341 N 0.00 0.00 0.00 1.13 2.76 -2.01 -1.95 115.15 115.07 3ibd h HIS 341 Ca -0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 3ibd h HIS 341 Cb 0.67 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.63 3ibd h HIS 341 CO 0.00 0.00 -0.06 -0.44 -1.30 0.00 0.00 177.93 176.13 3ibd h ASP 342 N 0.00 0.00 -0.23 3.26 3.45 -1.76 -3.31 116.42 117.84 3ibd h ASP 342 Ca 0.07 0.00 0.03 0.00 0.43 0.00 0.00 57.03 57.56 3ibd h ASP 342 Cb 0.30 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.03 3ibd h ASP 342 CO -0.00 0.06 0.02 -0.09 -1.57 0.00 0.00 179.24 177.65 3ibd h ARG 343 N 0.00 0.10 -0.02 3.56 2.43 -1.50 -1.83 114.38 117.13 3ibd h ARG 343 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ibd h ARG 343 Cb 0.36 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3ibd h ARG 343 CO 0.01 0.06 0.03 0.00 -1.51 0.00 0.00 179.97 178.56 3ibd h ALA 344 N 1.18 1.40 -0.33 2.80 0.00 -1.77 -0.70 119.26 121.83 3ibd h ALA 344 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ibd h ALA 344 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ibd h ALA 344 CO -0.16 -0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.68 3ibd n LYS 345 N -3.61 2.12 -3.17 0.00 5.02 -0.70 -4.59 118.16 113.24 3ibd n LYS 345 Ca -0.03 -1.70 -0.24 0.00 -2.02 0.00 0.00 58.31 54.32 3ibd n LYS 345 Cb 0.11 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 3ibd n LYS 345 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3ibd n MET 346 N 0.91 2.03 -0.32 1.97 2.81 -0.27 -4.93 117.12 119.32 3ibd n MET 346 Ca 0.17 -4.14 0.02 0.00 -1.81 0.00 0.00 57.70 51.94 3ibd n MET 346 Cb 0.45 -1.92 0.21 0.00 -0.71 0.00 0.00 33.22 31.25 3ibd n MET 346 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3ibd h PRO 347 N 3.46 1.08 -0.45 0.03 0.13 -1.81 -1.79 132.00 132.65 3ibd h PRO 347 Ca 0.13 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 3ibd h PRO 347 Cb 0.73 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 3ibd h PRO 347 CO 0.68 0.71 0.22 -0.92 -0.23 0.00 0.00 178.00 178.46 3ibd h TYR 348 N 1.11 0.65 -0.45 1.56 3.20 -1.92 -0.73 116.97 120.39 3ibd h TYR 348 Ca 0.38 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.14 3ibd h TYR 348 Cb 0.09 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3ibd h TYR 348 CO -0.00 0.52 -0.03 1.15 -1.64 0.00 0.00 178.16 178.16 3ibd h THR 349 N 0.58 1.27 -0.83 1.81 2.02 -1.85 -0.18 112.91 115.72 3ibd h THR 349 Ca 0.15 -1.10 0.02 0.00 0.77 0.00 0.00 66.41 66.25 3ibd h THR 349 Cb 0.12 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 3ibd h THR 349 CO -0.02 0.38 0.55 -0.33 0.37 0.00 0.00 175.52 176.46 3ibd h GLU 350 N 0.65 1.06 -0.80 6.66 5.08 -1.18 -1.32 114.58 124.74 3ibd h GLU 350 Ca 0.12 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3ibd h GLU 350 Cb 0.54 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3ibd h GLU 350 CO 0.03 0.70 0.32 0.00 -1.00 0.00 0.00 179.01 179.07 3ibd h ALA 351 N 1.32 1.07 -0.21 3.43 0.00 -0.71 -0.79 119.26 123.38 3ibd h ALA 351 Ca 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3ibd h ALA 351 Cb -0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3ibd h ALA 351 CO -0.09 0.66 0.09 0.28 0.00 0.00 0.00 179.25 180.19 3ibd h VAL 352 N 1.15 1.16 -0.72 0.00 2.07 -0.59 0.97 116.25 120.29 3ibd h VAL 352 Ca 0.27 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 3ibd h VAL 352 Cb 0.20 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3ibd h VAL 352 CO -0.02 0.16 0.21 0.40 0.02 0.00 0.00 177.57 178.34 3ibd h ILE 353 N 0.20 1.26 -0.75 4.57 2.04 -1.08 0.12 117.51 123.87 3ibd h ILE 353 Ca 0.07 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3ibd h ILE 353 Cb 0.17 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 3ibd h ILE 353 CO -0.01 0.36 0.48 1.88 0.00 0.00 0.00 178.15 180.86 3ibd h TYR 354 N 1.06 0.96 -0.43 1.37 0.99 -0.98 -2.13 116.97 117.81 3ibd h TYR 354 Ca 0.23 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.88 3ibd h TYR 354 Cb 0.32 -0.32 -0.02 0.00 1.00 0.00 0.00 36.73 37.72 3ibd h TYR 354 CO 0.03 0.62 -0.11 1.49 -0.00 0.00 0.00 178.16 180.19 3ibd h GLU 355 N 1.02 0.77 -0.59 4.88 4.57 -0.22 0.44 114.58 125.44 3ibd h GLU 355 Ca 0.27 -0.25 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 3ibd h GLU 355 Cb -0.09 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.40 3ibd h GLU 355 CO -0.06 0.85 0.34 0.82 -1.18 0.00 0.00 179.01 179.78 3ibd h ILE 356 N 0.70 1.03 -0.41 2.32 2.04 -0.44 -0.27 117.51 122.46 3ibd h ILE 356 Ca 0.12 -0.23 -0.15 0.00 1.00 0.00 0.00 64.86 65.60 3ibd h ILE 356 Cb 0.59 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3ibd h ILE 356 CO 0.04 0.12 -0.34 1.56 0.00 0.00 0.00 178.15 179.52 3ibd h GLN 357 N 0.66 0.95 0.00 2.37 4.20 -1.04 0.41 115.11 122.66 3ibd h GLN 357 Ca 0.25 -0.48 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 3ibd h GLN 357 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3ibd h GLN 357 CO -0.13 1.14 -0.00 -0.09 -0.67 0.00 0.00 178.83 179.08 3ibd h ARG 358 N 0.79 -0.01 -0.51 1.46 2.43 -0.77 -1.82 114.38 115.95 3ibd h ARG 358 Ca 0.07 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 3ibd h ARG 358 Cb 0.94 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 3ibd h ARG 358 CO 0.09 0.43 0.02 0.35 -1.51 0.00 0.00 179.97 179.35 3ibd h PHE 359 N -0.44 0.96 -0.05 2.20 3.57 -1.07 -3.26 116.94 118.86 3ibd h PHE 359 Ca -0.00 -0.16 -0.16 0.00 3.53 0.00 0.00 57.97 61.18 3ibd h PHE 359 Cb 0.44 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3ibd h PHE 359 CO 0.08 0.89 -0.68 0.77 -2.23 0.00 0.00 178.31 177.14 3ibd h SER 360 N 0.76 0.26 -5.96 0.41 0.02 -0.93 -3.47 113.55 104.64 3ibd h SER 360 Ca 0.15 -0.17 -0.38 0.00 -0.84 0.00 0.00 61.79 60.55 3ibd h SER 360 Cb 0.49 -0.08 0.11 0.00 0.14 0.00 0.00 62.40 63.06 3ibd h SER 360 CO 0.02 0.86 -0.88 -0.67 -1.14 0.00 0.00 176.83 175.02 3ibd n ASP 361 N -3.81 -4.19 0.21 3.07 2.03 -0.69 -4.84 116.55 108.33 3ibd n ASP 361 Ca -0.03 -0.86 0.08 0.00 0.52 0.00 0.00 54.79 54.50 3ibd n ASP 361 Cb 0.67 -4.13 0.43 0.00 -0.72 0.00 0.00 41.12 37.38 3ibd n ASP 361 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3ibd h LEU 362 N -1.67 0.00 -6.86 -2.67 -0.00 -1.90 -3.23 115.31 98.98 3ibd h LEU 362 Ca -0.63 0.00 -0.61 0.00 -0.00 0.00 0.00 57.88 56.64 3ibd h LEU 362 Cb 1.35 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 41.59 3ibd h LEU 362 CO 0.50 0.27 -0.66 0.18 -0.00 0.00 0.00 178.44 178.73 3ibd n LEU 363 N -3.48 2.32 0.20 1.67 4.77 -1.26 -1.28 117.00 119.94 3ibd n LEU 363 Ca -0.00 -5.05 0.05 0.00 -0.03 0.00 0.00 56.01 50.97 3ibd n LEU 363 Cb 0.44 -0.47 0.44 0.00 -2.33 0.00 0.00 43.42 41.51 3ibd n LEU 363 CO 0.34 1.80 0.79 1.55 -1.33 0.00 0.00 177.39 180.55 3ibd h PRO 364 N 5.33 0.00 -0.41 3.23 0.13 -1.70 -0.30 132.00 138.28 3ibd h PRO 364 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3ibd h PRO 364 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3ibd h PRO 364 CO 0.65 0.30 0.00 -1.33 -0.23 0.00 0.00 178.00 177.39 3ibd n MET 365 N -4.01 3.09 0.00 0.86 2.81 -1.26 -0.38 117.12 118.23 3ibd n MET 365 Ca -0.02 -2.50 0.00 0.00 -1.81 0.00 0.00 57.70 53.37 3ibd n MET 365 Cb 0.36 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 3ibd n MET 365 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ibd n GLY 366 N 0.40 1.39 3.28 3.03 0.00 -0.12 -4.02 105.19 109.14 3ibd n GLY 366 Ca 0.18 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 3ibd n GLY 366 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ibd s VAL 367 N 0.00 1.99 0.48 1.61 1.01 -1.26 -4.95 120.40 119.27 3ibd s VAL 367 Ca 0.00 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 60.69 3ibd s VAL 367 Cb 0.00 -1.67 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 3ibd s VAL 367 CO 0.00 0.56 1.33 -2.84 0.00 0.00 0.00 175.10 174.15 3ibd s PRO 368 N -0.37 3.54 0.49 2.72 0.02 -1.26 -4.82 135.00 135.32 3ibd s PRO 368 Ca 0.03 2.19 0.07 0.00 0.02 0.00 0.00 61.00 63.30 3ibd s PRO 368 Cb -0.12 -2.48 0.01 0.00 0.02 0.00 0.00 34.50 31.93 3ibd s PRO 368 CO 0.01 -0.85 0.39 -1.01 -0.33 0.00 0.00 177.00 175.21 3ibd s HIS 369 N -1.31 2.06 0.02 6.54 3.76 0.59 -0.71 115.29 126.24 3ibd s HIS 369 Ca 0.65 -0.70 0.01 0.00 -0.15 0.00 0.00 55.06 54.86 3ibd s HIS 369 Cb -0.39 -2.01 -0.01 0.00 1.11 0.00 0.00 32.58 31.28 3ibd s HIS 369 CO 0.48 -0.32 -0.03 0.96 -0.85 0.00 0.00 174.74 174.98 3ibd s ILE 370 N -2.66 0.19 -0.00 0.60 -4.36 -0.24 -0.54 121.20 114.20 3ibd s ILE 370 Ca 0.41 -0.61 -0.26 0.00 -0.26 0.00 0.00 60.65 59.92 3ibd s ILE 370 Cb -0.02 -0.26 -0.04 0.00 1.25 0.00 0.00 42.46 43.39 3ibd s ILE 370 CO 0.24 -0.27 0.82 0.68 0.24 0.00 0.00 174.94 176.65 3ibd s VAL 371 N -0.89 4.87 -0.54 8.37 -7.23 -0.81 -2.36 120.40 121.81 3ibd s VAL 371 Ca -0.09 1.72 0.24 0.00 -1.81 0.00 0.00 61.98 62.04 3ibd s VAL 371 Cb -0.06 -4.16 0.15 0.00 0.56 0.00 0.00 36.38 32.86 3ibd s VAL 371 CO -0.00 0.26 1.42 0.71 -0.31 0.00 0.00 175.10 177.18 3ibd h THR 372 N 4.54 0.00 -3.63 5.32 1.35 -1.20 0.41 112.91 119.70 3ibd h THR 372 Ca -0.42 -0.69 -0.09 0.00 -0.55 0.00 0.00 66.41 64.67 3ibd h THR 372 Cb 1.21 1.42 -0.15 0.00 -1.73 0.00 0.00 68.15 68.90 3ibd h THR 372 CO 0.74 0.00 -0.32 -1.10 -0.25 0.00 0.00 175.52 174.58 3ibd s GLN 373 N -3.20 0.83 0.24 4.72 -1.52 -1.26 -4.54 119.66 114.92 3ibd s GLN 373 Ca 0.06 -0.78 -0.31 0.00 -1.95 0.00 0.00 55.36 52.37 3ibd s GLN 373 Cb 0.11 0.34 -0.13 0.00 -0.22 0.00 0.00 33.01 33.12 3ibd s GLN 373 CO 0.70 -0.27 1.55 -2.39 -0.25 0.00 0.00 175.29 174.63 3ibd n HIS 374 N 0.20 2.52 -4.34 0.91 1.44 -1.26 -4.17 115.22 110.52 3ibd n HIS 374 Ca -0.17 0.29 -0.22 0.00 -2.01 0.00 0.00 57.72 55.61 3ibd n HIS 374 Cb 0.61 -2.55 -0.16 0.00 0.12 0.00 0.00 29.99 28.00 3ibd n HIS 374 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3ibd s THR 375 N 0.27 0.78 0.19 0.61 2.01 -0.25 -4.90 115.64 114.36 3ibd s THR 375 Ca 0.69 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 3ibd s THR 375 Cb -0.58 -0.76 -0.08 0.00 0.01 0.00 0.00 72.50 71.10 3ibd s THR 375 CO 0.45 0.28 1.09 -0.44 -0.69 0.00 0.00 174.62 175.31 3ibd s SER 376 N 0.81 7.29 -0.24 3.53 0.01 -1.26 -0.49 113.70 123.34 3ibd s SER 376 Ca -0.13 2.10 -0.03 0.00 1.31 0.00 0.00 55.95 59.21 3ibd s SER 376 Cb -0.15 -2.61 0.13 0.00 0.21 0.00 0.00 66.02 63.61 3ibd s SER 376 CO 0.02 -0.19 0.39 0.12 0.41 0.00 0.00 173.24 173.99 3ibd s PHE 377 N -0.41 -0.86 -1.54 2.43 5.36 -0.01 -4.94 117.98 118.00 3ibd s PHE 377 Ca 0.48 0.93 -0.07 0.00 -0.96 0.00 0.00 56.93 57.31 3ibd s PHE 377 Cb -0.29 0.07 0.06 0.00 -0.34 0.00 0.00 43.02 42.51 3ibd s PHE 377 CO 0.35 -0.71 0.47 0.54 -1.46 0.00 0.00 175.22 174.42 3ibd n ARG 378 N 5.37 -2.78 0.00 10.12 1.74 -1.26 -0.45 116.66 129.40 3ibd n ARG 378 Ca -0.04 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 3ibd n ARG 378 Cb 0.50 -4.56 0.00 0.00 -1.02 0.00 0.00 32.46 27.38 3ibd n ARG 378 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ibd n GLY 379 N -1.86 1.39 3.96 -0.13 0.00 -1.26 -5.04 105.19 102.24 3ibd n GLY 379 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 3ibd n GLY 379 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ibd s TYR 380 N -2.46 2.25 -0.10 1.61 2.02 0.41 -2.58 117.35 118.50 3ibd s TYR 380 Ca 0.00 -0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 56.11 3ibd s TYR 380 Cb 0.00 -2.20 0.03 0.00 -0.40 0.00 0.00 41.96 39.38 3ibd s TYR 380 CO 0.00 -0.52 -0.04 0.42 -1.57 0.00 0.00 175.55 173.84 3ibd s ILE 381 N -2.53 0.75 -0.29 2.71 1.01 0.58 -0.83 121.20 122.59 3ibd s ILE 381 Ca 0.51 -0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.87 3ibd s ILE 381 Cb -0.06 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 3ibd s ILE 381 CO 0.31 0.31 0.43 -0.63 0.00 0.00 0.00 174.94 175.35 3ibd s ILE 382 N 1.82 5.12 0.36 2.92 1.01 0.36 -4.27 121.20 128.52 3ibd s ILE 382 Ca 0.05 0.53 -0.28 0.00 0.00 0.00 0.00 60.65 60.95 3ibd s ILE 382 Cb -0.13 -3.79 -0.12 0.00 0.01 0.00 0.00 42.46 38.44 3ibd s ILE 382 CO -0.07 0.05 1.31 -2.65 0.00 0.00 0.00 174.94 173.58 3ibd n PRO 383 N 5.46 2.17 -1.42 2.79 -0.02 -1.26 -1.09 135.00 141.63 3ibd n PRO 383 Ca -0.07 0.76 -0.49 0.00 -2.02 0.00 0.00 63.50 61.68 3ibd n PRO 383 Cb 0.50 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3ibd n PRO 383 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3ibd n LYS 384 N 0.46 0.05 -0.97 -0.52 4.81 -1.26 -2.06 118.16 118.66 3ibd n LYS 384 Ca 0.04 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 3ibd n LYS 384 Cb 0.37 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 34.34 3ibd n LYS 384 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ibd n ASP 385 N 1.93 -4.22 -4.71 3.14 8.00 0.15 -4.91 116.55 115.92 3ibd n ASP 385 Ca 0.18 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.26 3ibd n ASP 385 Cb 0.24 -2.11 -0.03 0.00 -0.02 0.00 0.00 41.12 39.20 3ibd n ASP 385 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ibd s THR 386 N -1.53 3.66 0.35 -3.53 2.01 -0.87 -4.79 115.64 110.93 3ibd s THR 386 Ca 0.00 1.19 -0.29 0.00 0.31 0.00 0.00 61.69 62.91 3ibd s THR 386 Cb 0.00 -3.77 -0.11 0.00 0.01 0.00 0.00 72.50 68.64 3ibd s THR 386 CO 0.00 0.10 1.41 -0.70 -0.69 0.00 0.00 174.62 174.73 3ibd s GLU 387 N 1.04 4.23 -0.08 4.92 2.12 -1.26 -1.93 118.70 127.74 3ibd s GLU 387 Ca 0.61 2.40 0.02 0.00 0.36 0.00 0.00 54.97 58.36 3ibd s GLU 387 Cb -0.33 -3.02 0.02 0.00 0.26 0.00 0.00 34.13 31.05 3ibd s GLU 387 CO 0.30 -0.38 -0.12 0.08 -0.54 0.00 0.00 175.26 174.61 3ibd s VAL 388 N -1.02 1.16 -0.23 3.70 1.01 0.30 -1.71 120.40 123.62 3ibd s VAL 388 Ca 0.52 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 3ibd s VAL 388 Cb -0.43 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3ibd s VAL 388 CO 0.57 0.37 0.11 -0.36 0.00 0.00 0.00 175.10 175.79 3ibd s PHE 389 N 0.95 3.24 -0.33 5.22 2.99 -0.01 -0.30 117.98 129.74 3ibd s PHE 389 Ca -0.09 0.04 -0.16 0.00 0.00 0.00 0.00 56.93 56.72 3ibd s PHE 389 Cb -0.15 -2.21 -0.02 0.00 0.00 0.00 0.00 43.02 40.64 3ibd s PHE 389 CO 0.00 -0.01 0.39 -0.51 -0.00 0.00 0.00 175.22 175.09 3ibd s LEU 390 N 1.01 4.33 -1.13 -0.37 2.01 -1.26 -1.59 118.68 121.67 3ibd s LEU 390 Ca 0.06 -0.08 -0.18 0.00 0.01 0.00 0.00 54.13 53.94 3ibd s LEU 390 Cb -0.14 -2.40 0.11 0.00 0.01 0.00 0.00 46.19 43.77 3ibd s LEU 390 CO 0.04 -0.32 1.45 -0.63 1.01 0.00 0.00 176.35 177.89 3ibd s ILE 391 N 2.09 4.49 0.36 -0.59 -1.09 0.08 -3.71 121.20 122.83 3ibd s ILE 391 Ca 0.14 -1.83 0.06 0.00 -2.23 0.00 0.00 60.65 56.79 3ibd s ILE 391 Cb -0.16 -4.99 0.30 0.00 -1.58 0.00 0.00 42.46 36.03 3ibd s ILE 391 CO 0.12 -1.77 1.93 -0.07 -1.23 0.00 0.00 174.94 173.91 3ibd h LEU 392 N 11.27 0.68 -1.32 2.97 3.38 -1.61 -0.57 115.31 130.11 3ibd h LEU 392 Ca 0.29 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.56 3ibd h LEU 392 Cb 0.93 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 3ibd h LEU 392 CO 1.31 0.42 0.68 -1.28 0.09 0.00 0.00 178.44 179.65 3ibd h SER 393 N 0.76 0.45 1.56 -0.43 0.87 -0.97 0.01 113.55 115.80 3ibd h SER 393 Ca 0.36 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.98 3ibd h SER 393 Cb 0.38 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3ibd h SER 393 CO -0.13 0.05 -0.15 0.71 -0.53 0.00 0.00 176.83 176.78 3ibd h THR 394 N 0.38 0.27 0.04 2.23 1.35 -1.36 -1.31 112.91 114.51 3ibd h THR 394 Ca 0.63 -1.21 -0.17 0.00 -0.55 0.00 0.00 66.41 65.11 3ibd h THR 394 Cb 1.60 1.98 0.02 0.00 -1.73 0.00 0.00 68.15 70.02 3ibd h THR 394 CO -0.34 0.14 -0.70 0.00 -0.25 0.00 0.00 175.52 174.37 3ibd h ALA 395 N 1.85 0.03 0.00 6.62 0.00 -1.09 -3.08 119.26 123.59 3ibd h ALA 395 Ca -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 3ibd h ALA 395 Cb 0.97 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ibd h ALA 395 CO 0.02 0.38 -0.10 -0.07 0.00 0.00 0.00 179.25 179.48 3ibd h LEU 396 N -0.14 0.00 -3.11 0.00 3.38 -1.01 -2.76 115.31 111.67 3ibd h LEU 396 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ibd h LEU 396 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 3ibd h LEU 396 CO 0.14 0.10 0.00 1.41 0.09 0.00 0.00 178.44 180.17 3ibd n HIS 397 N -3.40 0.89 -2.21 1.13 8.25 -0.52 -4.89 115.22 114.45 3ibd n HIS 397 Ca -0.01 -0.69 -0.42 0.00 -0.26 0.00 0.00 57.72 56.34 3ibd n HIS 397 Cb 0.26 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 3ibd n HIS 397 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ibd s ASP 398 N -1.38 6.82 0.47 0.41 -1.08 -1.04 -4.78 116.67 116.09 3ibd s ASP 398 Ca 0.37 2.02 0.21 0.00 -0.52 0.00 0.00 52.55 54.62 3ibd s ASP 398 Cb 0.26 -2.54 1.17 0.00 -1.46 0.00 0.00 42.92 40.35 3ibd s ASP 398 CO 0.14 -0.81 2.00 1.55 0.52 0.00 0.00 175.17 178.57 3ibd h PRO 399 N 8.58 0.00 -0.85 4.34 0.13 -1.91 0.03 132.00 142.32 3ibd h PRO 399 Ca -0.35 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.79 3ibd h PRO 399 Cb 1.15 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 3ibd h PRO 399 CO 0.94 0.18 0.55 0.45 -0.23 0.00 0.00 178.00 179.90 3ibd h HIS 400 N 0.00 1.08 0.00 1.56 3.86 -2.00 -3.15 115.15 116.51 3ibd h HIS 400 Ca -0.00 0.02 -0.24 0.00 -1.16 0.00 0.00 60.37 58.98 3ibd h HIS 400 Cb 0.40 -0.36 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 3ibd h HIS 400 CO 0.00 0.69 -1.53 1.88 0.86 0.00 0.00 177.93 179.83 3ibd h TYR 401 N 1.16 0.00 -3.24 2.45 -1.99 -1.79 -3.44 116.97 110.12 3ibd h TYR 401 Ca 0.31 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.45 3ibd h TYR 401 Cb -0.11 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 38.22 3ibd h TYR 401 CO -0.01 0.86 -0.75 -0.06 -0.00 0.00 0.00 178.16 178.19 3ibd s PHE 402 N -2.72 1.97 0.16 4.88 0.08 -0.07 -5.05 117.98 117.24 3ibd s PHE 402 Ca -0.03 -1.87 -0.32 0.00 0.12 0.00 0.00 56.93 54.83 3ibd s PHE 402 Cb 0.08 -1.84 -0.11 0.00 -0.57 0.00 0.00 43.02 40.58 3ibd s PHE 402 CO 0.82 -0.87 1.71 -2.00 -0.10 0.00 0.00 175.22 174.78 3ibd s GLU 403 N 1.53 4.15 -1.01 0.44 -6.30 -1.24 -2.75 118.70 113.53 3ibd s GLU 403 Ca 0.09 2.53 -0.07 0.00 -2.50 0.00 0.00 54.97 55.02 3ibd s GLU 403 Cb -0.17 -3.28 -0.05 0.00 0.00 0.00 0.00 34.13 30.62 3ibd s GLU 403 CO -0.22 -0.75 0.87 1.17 0.02 0.00 0.00 175.26 176.36 3ibd n LYS 404 N 4.61 -2.00 0.07 4.30 4.81 -1.26 -4.90 118.16 123.80 3ibd n LYS 404 Ca 0.16 0.92 0.11 0.00 -0.87 0.00 0.00 58.31 58.63 3ibd n LYS 404 Cb 0.37 -5.62 0.45 0.00 0.02 0.00 0.00 35.03 30.25 3ibd n LYS 404 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3ibd n PRO 405 N -3.10 0.13 0.00 1.64 -0.04 -1.11 -2.51 135.00 130.01 3ibd n PRO 405 Ca -0.06 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 63.79 3ibd n PRO 405 Cb 0.60 -1.71 0.51 0.00 -0.04 0.00 0.00 33.50 32.86 3ibd n PRO 405 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ibd n ASP 406 N -1.95 0.85 -4.90 3.54 8.00 -1.26 -4.85 116.55 115.97 3ibd n ASP 406 Ca 0.04 -0.86 -0.32 0.00 0.71 0.00 0.00 54.79 54.36 3ibd n ASP 406 Cb 0.28 0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.37 3ibd n ASP 406 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ibd s ALA 407 N -2.41 3.90 -0.26 2.24 0.00 -1.04 -5.07 121.76 119.12 3ibd s ALA 407 Ca 0.29 -0.68 -0.28 0.00 0.00 0.00 0.00 51.96 51.29 3ibd s ALA 407 Cb 0.20 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 21.34 3ibd s ALA 407 CO 0.47 0.72 1.01 0.12 0.00 0.00 0.00 175.76 178.08 3ibd s PHE 408 N -1.47 3.28 -0.26 0.00 5.36 -1.26 -5.00 117.98 118.63 3ibd s PHE 408 Ca 0.34 1.32 -0.02 0.00 -0.96 0.00 0.00 56.93 57.61 3ibd s PHE 408 Cb -0.13 -3.34 0.15 0.00 -0.34 0.00 0.00 43.02 39.37 3ibd s PHE 408 CO 0.22 -0.54 0.45 1.21 -1.46 0.00 0.00 175.22 175.10 3ibd s ASN 409 N 1.35 -0.27 0.59 6.13 2.47 -1.26 -5.03 114.94 118.91 3ibd s ASN 409 Ca 0.42 0.37 0.29 0.00 0.42 0.00 0.00 52.86 54.36 3ibd s ASN 409 Cb -0.14 1.45 1.62 0.00 -1.45 0.00 0.00 41.25 42.72 3ibd s ASN 409 CO 0.09 -0.29 2.06 -0.65 -3.72 0.00 0.00 177.10 174.58 3ibd h PRO 410 N 8.12 0.00 0.00 0.43 0.11 -1.94 -1.48 132.00 137.24 3ibd h PRO 410 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3ibd h PRO 410 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ibd h PRO 410 CO 0.27 0.00 0.09 -0.44 -0.21 0.00 0.00 178.00 177.70 3ibd h ASP 411 N 0.00 0.00 -0.67 -2.05 3.32 -1.91 -0.08 116.42 115.03 3ibd h ASP 411 Ca 0.11 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.35 3ibd h ASP 411 Cb 0.63 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 3ibd h ASP 411 CO -0.00 0.00 0.50 0.45 -1.72 0.00 0.00 179.24 178.47 3ibd h HIS 412 N 0.00 0.00 -0.15 4.55 3.86 -1.66 -2.60 115.15 119.15 3ibd h HIS 412 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 3ibd h HIS 412 Cb 0.17 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 3ibd h HIS 412 CO 0.00 0.00 -0.11 1.19 0.86 0.00 0.00 177.93 179.87 3ibd n PHE 413 N -4.24 0.51 -4.63 2.45 3.72 -0.04 -4.94 117.46 110.28 3ibd n PHE 413 Ca 0.13 -1.21 -0.23 0.00 -0.05 0.00 0.00 57.45 56.10 3ibd n PHE 413 Cb 0.76 -0.29 -0.15 0.00 -0.94 0.00 0.00 39.48 38.85 3ibd n PHE 413 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ibd s LEU 414 N -3.02 1.95 0.74 4.37 1.43 -0.98 -0.54 118.68 122.62 3ibd s LEU 414 Ca 0.39 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.17 3ibd s LEU 414 Cb 0.34 -0.74 0.10 0.00 0.03 0.00 0.00 46.19 45.92 3ibd s LEU 414 CO 0.02 0.15 1.04 1.51 0.23 0.00 0.00 176.35 179.29 3ibd s ASP 415 N -0.15 4.47 0.48 2.29 1.47 -0.44 -4.79 116.67 120.00 3ibd s ASP 415 Ca 0.02 0.20 0.20 0.00 1.18 0.00 0.00 52.55 54.15 3ibd s ASP 415 Cb -0.07 -0.71 1.22 0.00 -0.34 0.00 0.00 42.92 43.01 3ibd s ASP 415 CO 0.00 -1.80 1.96 0.00 0.68 0.00 0.00 175.17 176.01 3ibd h ALA 416 N -0.69 2.31 -0.01 2.11 0.00 -1.97 0.18 119.26 121.18 3ibd h ALA 416 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ibd h ALA 416 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ibd h ALA 416 CO 0.51 -0.48 0.00 0.27 0.00 0.00 0.00 179.25 179.55 3ibd n ASN 417 N -4.43 0.16 -0.53 0.00 0.23 -1.26 -4.90 115.26 104.52 3ibd n ASN 417 Ca 0.12 -1.35 -0.07 0.00 -0.53 0.00 0.00 54.58 52.76 3ibd n ASN 417 Cb 0.57 -0.01 -0.03 0.00 -2.08 0.00 0.00 39.78 38.23 3ibd n ASN 417 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ibd n GLY 418 N 0.87 0.91 3.92 4.83 0.00 0.65 -5.03 105.19 111.34 3ibd n GLY 418 Ca 0.17 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 3ibd n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibd s ALA 419 N -2.23 3.64 0.01 4.61 0.00 -1.26 -4.66 121.76 121.86 3ibd s ALA 419 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 3ibd s ALA 419 Cb 0.00 -2.23 -0.07 0.00 0.00 0.00 0.00 23.12 20.81 3ibd s ALA 419 CO 0.00 0.06 1.74 -1.17 0.00 0.00 0.00 175.76 176.39 3ibd s LEU 420 N -4.02 4.37 -0.61 0.00 2.96 -1.26 -1.33 118.68 118.78 3ibd s LEU 420 Ca 0.42 2.43 -0.12 0.00 -0.22 0.00 0.00 54.13 56.64 3ibd s LEU 420 Cb -0.10 -3.54 0.16 0.00 0.50 0.00 0.00 46.19 43.20 3ibd s LEU 420 CO 0.34 -0.95 0.53 -0.75 -1.32 0.00 0.00 176.35 174.20 3ibd s LYS 421 N 3.75 2.96 0.62 1.98 2.20 0.30 -4.84 119.74 126.71 3ibd s LYS 421 Ca 0.78 -2.05 -0.15 0.00 -0.36 0.00 0.00 55.97 54.19 3ibd s LYS 421 Cb -0.38 -4.16 -0.02 0.00 -1.51 0.00 0.00 37.83 31.76 3ibd s LYS 421 CO 0.34 -1.26 1.08 0.15 -0.36 0.00 0.00 175.35 175.29 3ibd s LYS 422 N 0.91 3.13 -0.01 4.03 1.02 -1.26 -4.54 119.74 123.02 3ibd s LYS 422 Ca 0.10 1.27 -0.10 0.00 0.02 0.00 0.00 55.97 57.25 3ibd s LYS 422 Cb -0.22 -2.00 0.01 0.00 -0.52 0.00 0.00 37.83 35.10 3ibd s LYS 422 CO -0.02 -0.97 0.21 -0.08 -0.92 0.00 0.00 175.35 173.56 3ibd s THR 423 N -2.43 0.07 0.19 2.17 -1.32 -1.26 -5.03 115.64 108.03 3ibd s THR 423 Ca 0.65 -0.59 0.33 0.00 -1.21 0.00 0.00 61.69 60.87 3ibd s THR 423 Cb -0.18 -0.50 0.37 0.00 -1.51 0.00 0.00 72.50 70.69 3ibd s THR 423 CO 0.39 -0.32 2.01 -0.33 -2.21 0.00 0.00 174.62 174.16 3ibd h GLU 424 N 4.17 0.00 0.00 7.08 5.08 -2.01 -2.15 114.58 126.75 3ibd h GLU 424 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3ibd h GLU 424 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3ibd h GLU 424 CO 0.40 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 178.45 3ibd h ALA 425 N 1.96 1.00 -2.17 3.43 0.00 -1.96 -3.42 119.26 118.10 3ibd h ALA 425 Ca -0.00 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.19 3ibd h ALA 425 Cb 0.48 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.07 3ibd h ALA 425 CO 0.01 0.00 0.50 0.12 0.00 0.00 0.00 179.25 179.88 3ibd s PHE 426 N -3.55 3.27 -0.42 0.00 5.36 -0.81 -3.99 117.98 117.83 3ibd s PHE 426 Ca 0.01 -1.47 0.09 0.00 -0.96 0.00 0.00 56.93 54.61 3ibd s PHE 426 Cb 0.09 -4.11 0.41 0.00 -0.34 0.00 0.00 43.02 39.07 3ibd s PHE 426 CO 0.41 -1.32 0.99 0.44 -1.46 0.00 0.00 175.22 174.28 3ibd n ILE 427 N 5.08 1.83 0.30 3.12 -5.35 -1.26 -4.88 119.36 118.19 3ibd n ILE 427 Ca 0.15 -4.50 0.17 0.00 -0.27 0.00 0.00 62.75 58.29 3ibd n ILE 427 Cb 0.47 -0.65 0.68 0.00 -1.74 0.00 0.00 39.64 38.41 3ibd n ILE 427 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3ibd h PRO 428 N 2.82 0.00 -0.40 6.28 0.13 -1.94 -1.76 132.00 137.12 3ibd h PRO 428 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3ibd h PRO 428 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3ibd h PRO 428 CO 0.71 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.67 3ibd n PHE 429 N -2.97 0.53 -4.50 1.56 3.72 -1.26 -4.90 117.46 109.63 3ibd n PHE 429 Ca 0.01 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 3ibd n PHE 429 Cb 0.28 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 3ibd n PHE 429 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ibd n SER 430 N 1.09 -1.49 -3.95 4.37 2.88 -0.67 -1.40 113.62 114.46 3ibd n SER 430 Ca 0.18 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.63 3ibd n SER 430 Cb 0.49 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.88 3ibd n SER 430 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3ibd s LEU 431 N 0.00 1.15 0.00 2.46 1.43 -1.26 -4.84 118.68 117.62 3ibd s LEU 431 Ca 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 3ibd s LEU 431 Cb 0.00 1.08 0.00 0.00 0.03 0.00 0.00 46.19 47.30 3ibd s LEU 431 CO 0.00 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.35 3ibd n GLY 432 N -0.16 -0.44 0.28 -3.19 0.00 -1.26 -3.81 105.19 96.61 3ibd n GLY 432 Ca -0.09 -1.34 0.01 0.00 0.00 0.00 0.00 46.02 44.59 3ibd n GLY 432 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ibd h LYS 433 N 0.00 0.51 -0.60 1.61 1.57 -1.83 -2.66 116.57 115.18 3ibd h LYS 433 Ca 0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3ibd h LYS 433 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3ibd h LYS 433 CO 0.00 0.52 0.00 0.54 -0.57 0.00 0.00 179.45 179.94 3ibd n ARG 434 N -4.31 2.43 -1.68 3.15 5.12 -1.26 -5.00 116.66 115.11 3ibd n ARG 434 Ca 0.02 -2.22 -0.44 0.00 -1.93 0.00 0.00 57.85 53.28 3ibd n ARG 434 Cb 0.22 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 30.02 3ibd n ARG 434 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 3ibd n ILE 435 N 1.31 1.42 -1.07 0.55 3.06 -1.00 -4.66 119.36 118.97 3ibd n ILE 435 Ca 0.21 -0.36 -0.42 0.00 -2.50 0.00 0.00 62.75 59.68 3ibd n ILE 435 Cb 0.52 -1.53 -0.06 0.00 0.54 0.00 0.00 39.64 39.11 3ibd n ILE 435 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ibd h LEU 437 N 3.15 0.00 -3.78 0.00 6.46 -1.92 -3.01 115.31 116.21 3ibd h LEU 437 Ca -0.27 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.17 3ibd h LEU 437 Cb 0.85 0.00 -0.19 0.00 -0.73 0.00 0.00 40.66 40.58 3ibd h LEU 437 CO 0.61 0.22 0.41 0.61 -0.62 0.00 0.00 178.44 179.67 3ibd n GLY 438 N -0.80 3.90 0.14 3.75 0.00 -1.26 -4.62 105.19 106.30 3ibd n GLY 438 Ca -0.02 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 3ibd n GLY 438 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ibd h GLU 439 N 2.00 0.26 -0.09 1.61 4.81 -1.89 0.40 114.58 121.69 3ibd h GLU 439 Ca 0.40 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.62 3ibd h GLU 439 Cb 2.51 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.83 3ibd h GLU 439 CO 0.87 0.17 0.02 0.78 -0.73 0.00 0.00 179.01 180.12 3ibd h GLY 440 N 0.27 0.10 0.93 1.92 0.00 -1.87 -0.43 103.07 103.99 3ibd h GLY 440 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3ibd h GLY 440 CO -0.12 0.01 0.14 -2.22 0.00 0.00 0.00 176.54 174.36 3ibd h ILE 441 N 0.07 1.16 -0.55 2.60 2.04 -1.81 -1.37 117.51 119.65 3ibd h ILE 441 Ca 0.04 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.44 3ibd h ILE 441 Cb 0.02 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3ibd h ILE 441 CO -0.04 0.17 0.34 0.00 0.00 0.00 0.00 178.15 178.62 3ibd h ALA 442 N 0.99 0.71 -0.32 1.87 0.00 -0.10 -0.47 119.26 121.95 3ibd h ALA 442 Ca 0.11 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3ibd h ALA 442 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ibd h ALA 442 CO -0.01 0.07 -0.11 0.00 0.00 0.00 0.00 179.25 179.20 3ibd h ARG 443 N 0.68 0.54 -0.29 0.00 3.08 -0.97 -1.88 114.38 115.54 3ibd h ARG 443 Ca 0.22 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 3ibd h ARG 443 Cb -0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3ibd h ARG 443 CO -0.09 0.65 -0.05 0.00 -1.07 0.00 0.00 179.97 179.41 3ibd h ALA 444 N 1.39 0.40 -0.21 0.04 0.00 -0.56 -2.18 119.26 118.14 3ibd h ALA 444 Ca 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3ibd h ALA 444 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ibd h ALA 444 CO 0.03 0.20 0.12 0.93 0.00 0.00 0.00 179.25 180.53 3ibd h GLU 445 N 0.32 0.29 0.02 0.00 5.08 -0.90 -0.56 114.58 118.82 3ibd h GLU 445 Ca 0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ibd h GLU 445 Cb 0.53 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3ibd h GLU 445 CO 0.03 0.24 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.20 3ibd h LEU 446 N 0.25 -0.02 -0.01 1.33 3.38 -1.29 0.24 115.31 119.18 3ibd h LEU 446 Ca 0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ibd h LEU 446 Cb 0.03 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ibd h LEU 446 CO -0.01 0.04 0.01 0.15 0.09 0.00 0.00 178.44 178.71 3ibd h PHE 447 N -0.08 0.01 -0.12 1.13 3.57 -1.37 -1.70 116.94 118.38 3ibd h PHE 447 Ca -0.00 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.32 3ibd h PHE 447 Cb 0.07 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.82 3ibd h PHE 447 CO -0.06 0.05 -0.60 -0.07 -2.23 0.00 0.00 178.31 175.40 3ibd h LEU 448 N -0.03 0.73 -0.04 0.59 3.38 -0.92 -1.60 115.31 117.42 3ibd h LEU 448 Ca 0.00 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.33 3ibd h LEU 448 Cb 0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3ibd h LEU 448 CO -0.00 1.26 0.01 -0.26 0.09 0.00 0.00 178.44 179.53 3ibd h PHE 449 N 0.26 0.07 -0.04 1.13 0.04 -0.59 -1.33 116.94 116.47 3ibd h PHE 449 Ca -0.04 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.76 3ibd h PHE 449 Cb 1.24 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 39.32 3ibd h PHE 449 CO 0.11 0.28 -0.36 0.35 -0.60 0.00 0.00 178.31 178.09 3ibd h PHE 450 N -0.17 -0.99 -0.03 -0.55 3.57 -1.31 -1.77 116.94 115.69 3ibd h PHE 450 Ca 0.01 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 3ibd h PHE 450 Cb 0.25 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3ibd h PHE 450 CO 0.01 -0.44 -0.60 1.79 -2.23 0.00 0.00 178.31 176.84 3ibd h THR 451 N -0.49 1.41 -0.24 4.41 1.35 -1.32 -1.76 112.91 116.27 3ibd h THR 451 Ca 0.07 -2.01 -0.14 0.00 -0.55 0.00 0.00 66.41 63.78 3ibd h THR 451 Cb 0.59 2.05 -0.00 0.00 -1.73 0.00 0.00 68.15 69.06 3ibd h THR 451 CO -0.31 0.58 -0.39 0.74 -0.25 0.00 0.00 175.52 175.89 3ibd h THR 452 N 0.08 1.31 0.55 6.82 2.02 -1.02 0.26 112.91 122.93 3ibd h THR 452 Ca -0.01 -1.59 -0.02 0.00 0.77 0.00 0.00 66.41 65.56 3ibd h THR 452 Cb 1.07 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 69.23 3ibd h THR 452 CO 0.08 0.50 -0.32 0.40 0.37 0.00 0.00 175.52 176.56 3ibd h ILE 453 N 0.40 0.35 -0.19 3.11 2.04 -1.33 -3.05 117.51 118.85 3ibd h ILE 453 Ca 0.02 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 3ibd h ILE 453 Cb 0.98 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3ibd h ILE 453 CO 0.09 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 178.03 3ibd h LEU 454 N -0.81 0.29 -1.06 1.44 3.38 -1.25 0.67 115.31 117.97 3ibd h LEU 454 Ca -0.07 -0.07 0.22 0.00 0.09 0.00 0.00 57.88 58.06 3ibd h LEU 454 Cb 0.65 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.21 3ibd h LEU 454 CO 0.08 0.46 0.61 -0.61 0.09 0.00 0.00 178.44 179.07 3ibd h GLN 455 N 0.29 0.61 0.00 1.13 4.15 -0.49 -3.25 115.11 117.55 3ibd h GLN 455 Ca 0.06 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3ibd h GLN 455 Cb 0.42 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.97 3ibd h GLN 455 CO 0.02 0.41 -1.53 0.09 -1.93 0.00 0.00 178.83 175.89 3ibd n ASN 456 N -4.80 1.33 -3.84 -0.69 3.02 -0.48 -4.90 115.26 104.90 3ibd n ASN 456 Ca 0.25 -0.15 -0.12 0.00 -0.03 0.00 0.00 54.58 54.53 3ibd n ASN 456 Cb 0.69 1.58 -0.11 0.00 -0.61 0.00 0.00 39.78 41.33 3ibd n ASN 456 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3ibd s PHE 457 N -2.96 -0.09 0.55 3.10 0.08 0.11 -2.18 117.98 116.59 3ibd s PHE 457 Ca -0.04 0.21 0.05 0.00 0.12 0.00 0.00 56.93 57.28 3ibd s PHE 457 Cb 0.10 0.02 0.06 0.00 -0.57 0.00 0.00 43.02 42.63 3ibd s PHE 457 CO 0.64 -0.17 0.76 -1.54 -0.10 0.00 0.00 175.22 174.81 3ibd s SER 458 N -0.51 5.17 0.08 1.36 1.04 -0.15 -4.29 113.70 116.41 3ibd s SER 458 Ca -0.06 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.04 3ibd s SER 458 Cb -0.04 -0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.67 3ibd s SER 458 CO 0.01 -1.22 -0.15 -0.04 0.98 0.00 0.00 173.24 172.82 3ibd s MET 459 N -4.69 0.88 0.06 4.02 1.00 -1.26 -0.78 119.30 118.53 3ibd s MET 459 Ca 0.59 -1.03 -0.11 0.00 0.00 0.00 0.00 55.69 55.15 3ibd s MET 459 Cb -0.08 -0.89 0.01 0.00 0.00 0.00 0.00 34.83 33.87 3ibd s MET 459 CO 0.38 0.19 0.23 0.00 0.00 0.00 0.00 175.02 175.83 3ibd s ALA 460 N -1.44 -0.43 0.04 3.03 0.00 -0.29 -4.97 121.76 117.70 3ibd s ALA 460 Ca 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 3ibd s ALA 460 Cb -0.09 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 3ibd s ALA 460 CO 0.03 -0.44 0.05 0.45 0.00 0.00 0.00 175.76 175.84 3ibd s SER 461 N -2.37 0.26 0.40 0.00 0.15 -1.26 -0.80 113.70 110.09 3ibd s SER 461 Ca -0.01 -0.65 0.28 0.00 0.70 0.00 0.00 55.95 56.27 3ibd s SER 461 Cb 0.01 0.20 1.03 0.00 -1.71 0.00 0.00 66.02 65.56 3ibd s SER 461 CO -0.07 -0.51 1.82 -0.65 1.20 0.00 0.00 173.24 175.04 3ibd h PRO 462 N 3.65 0.00 -5.55 5.44 0.11 -2.00 -3.43 132.00 130.22 3ibd h PRO 462 Ca -0.33 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.19 3ibd h PRO 462 Cb 1.18 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.19 3ibd h PRO 462 CO 0.53 0.00 -0.18 0.08 -0.21 0.00 0.00 178.00 178.22 3ibd s VAL 463 N -3.42 5.20 0.57 3.15 1.01 -1.26 -5.07 120.40 120.57 3ibd s VAL 463 Ca 0.04 0.79 -0.19 0.00 0.00 0.00 0.00 61.98 62.63 3ibd s VAL 463 Cb 0.09 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 3ibd s VAL 463 CO 0.52 0.29 1.14 0.00 0.00 0.00 0.00 175.10 177.05 3ibd s ALA 464 N 0.98 2.64 0.28 5.51 0.00 -1.26 -4.88 121.76 125.03 3ibd s ALA 464 Ca 0.22 0.82 0.02 0.00 0.00 0.00 0.00 51.96 53.01 3ibd s ALA 464 Cb -0.15 -3.37 0.62 0.00 0.00 0.00 0.00 23.12 20.23 3ibd s ALA 464 CO 0.08 -0.89 1.77 -1.35 0.00 0.00 0.00 175.76 175.37 3ibd h PRO 465 N 1.01 0.67 0.00 0.00 0.11 -1.86 -0.89 132.00 131.03 3ibd h PRO 465 Ca -0.50 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 3ibd h PRO 465 Cb 1.27 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ibd h PRO 465 CO 0.56 0.44 -0.01 0.93 -0.21 0.00 0.00 178.00 179.71 3ibd h GLU 466 N 0.69 0.00 -0.04 1.05 3.07 -1.91 -0.19 114.58 117.25 3ibd h GLU 466 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 3ibd h GLU 466 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 3ibd h GLU 466 CO -0.37 0.01 0.00 -0.25 -1.40 0.00 0.00 179.01 177.00 3ibd n ASP 467 N -3.86 2.16 -4.62 1.42 8.00 -0.36 -4.85 116.55 114.43 3ibd n ASP 467 Ca -0.03 -1.72 -0.42 0.00 0.71 0.00 0.00 54.79 53.33 3ibd n ASP 467 Cb 0.09 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.14 3ibd n ASP 467 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ibd s ILE 468 N -1.98 4.77 -0.23 0.53 1.01 -0.08 -4.93 121.20 120.29 3ibd s ILE 468 Ca 0.34 1.34 -0.10 0.00 0.00 0.00 0.00 60.65 62.23 3ibd s ILE 468 Cb 0.21 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 3ibd s ILE 468 CO 0.32 -0.23 0.15 -0.62 0.00 0.00 0.00 174.94 174.56 3ibd s ASP 469 N 1.55 6.08 0.00 3.58 3.68 -1.26 -4.98 116.67 125.32 3ibd s ASP 469 Ca 0.34 0.13 0.23 0.00 2.13 0.00 0.00 52.55 55.38 3ibd s ASP 469 Cb -0.14 -2.09 0.54 0.00 -1.45 0.00 0.00 42.92 39.77 3ibd s ASP 469 CO 0.11 0.09 1.45 0.18 0.13 0.00 0.00 175.17 177.14 3ibd n LEU 470 N 4.10 2.69 -4.71 -1.34 4.77 -1.26 -4.81 117.00 116.44 3ibd n LEU 470 Ca -0.15 -1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 54.31 3ibd n LEU 470 Cb 0.52 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3ibd n LEU 470 CO 0.35 0.55 1.16 -0.89 -1.33 0.00 0.00 177.39 177.24 3ibd s THR 471 N -1.70 3.02 0.54 -5.08 2.01 -1.26 -4.80 115.64 108.37 3ibd s THR 471 Ca 0.35 0.69 -0.22 0.00 0.31 0.00 0.00 61.69 62.82 3ibd s THR 471 Cb 0.21 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 3ibd s THR 471 CO 0.30 0.04 1.37 -0.81 -0.69 0.00 0.00 174.62 174.83 3ibd n PRO 472 N 4.24 1.76 0.18 4.92 -0.04 -1.26 -4.19 135.00 140.60 3ibd n PRO 472 Ca 0.13 0.64 0.05 0.00 -0.04 0.00 0.00 63.50 64.29 3ibd n PRO 472 Cb 0.41 -2.58 0.27 0.00 -0.04 0.00 0.00 33.50 31.55 3ibd n PRO 472 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 3ibd h GLN 473 N 1.53 0.00 -4.31 0.54 3.07 -0.65 -3.45 115.11 111.85 3ibd h GLN 473 Ca -0.51 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.00 3ibd h GLN 473 Cb 1.30 0.00 -0.21 0.00 0.08 0.00 0.00 27.48 28.65 3ibd h GLN 473 CO 0.57 0.39 -0.72 -1.21 0.09 0.00 0.00 178.83 177.95 3ibd s GLU 474 N -3.43 0.43 -0.32 0.06 2.02 -1.20 -5.01 118.70 111.25 3ibd s GLU 474 Ca 0.01 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.32 3ibd s GLU 474 Cb 0.10 -0.12 0.14 0.00 0.10 0.00 0.00 34.13 34.34 3ibd s GLU 474 CO 0.69 0.01 0.31 0.00 0.02 0.00 0.00 175.26 176.29 3ibd n GLY 476 N 4.94 2.76 0.19 0.00 0.00 -1.25 -4.75 105.19 107.08 3ibd n GLY 476 Ca 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 3ibd n GLY 476 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ibd h VAL 477 N 0.00 0.88 -3.01 1.61 -1.51 -1.85 -3.44 116.25 108.94 3ibd h VAL 477 Ca 0.00 -0.12 -0.62 0.00 -1.23 0.00 0.00 66.70 64.72 3ibd h VAL 477 Cb 0.00 0.49 -0.14 0.00 -2.13 0.00 0.00 31.29 29.51 3ibd h VAL 477 CO 0.00 0.07 -0.72 -0.83 -1.23 0.00 0.00 177.57 174.86 3ibd s GLY 478 N -2.83 1.73 -0.15 5.19 0.00 -1.26 -4.10 107.32 105.90 3ibd s GLY 478 Ca -0.13 -1.45 -0.07 0.00 0.00 0.00 0.00 44.72 43.06 3ibd s GLY 478 CO 0.72 -1.47 0.12 0.54 0.00 0.00 0.00 173.10 173.01 3ibd s LYS 479 N -2.82 3.67 -0.17 2.90 1.02 -0.40 -4.08 119.74 119.86 3ibd s LYS 479 Ca 0.25 -0.20 0.01 0.00 0.02 0.00 0.00 55.97 56.05 3ibd s LYS 479 Cb -0.09 -3.22 0.01 0.00 -0.52 0.00 0.00 37.83 34.01 3ibd s LYS 479 CO 0.15 0.58 -0.20 0.42 -0.92 0.00 0.00 175.35 175.39 3ibd s ILE 480 N -0.47 2.16 0.71 2.17 1.01 -0.58 -4.88 121.20 121.32 3ibd s ILE 480 Ca 0.12 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 3ibd s ILE 480 Cb -0.12 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.48 3ibd s ILE 480 CO 0.02 0.54 1.12 -2.16 0.00 0.00 0.00 174.94 174.45 3ibd s PRO 481 N 1.10 2.51 0.83 2.79 0.04 -1.26 -0.03 135.00 140.97 3ibd s PRO 481 Ca 0.00 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 3ibd s PRO 481 Cb -0.14 -1.91 0.09 0.00 0.04 0.00 0.00 34.50 32.58 3ibd s PRO 481 CO -0.08 -1.48 1.13 -1.25 0.04 0.00 0.00 177.00 175.36 3ibd s PRO 482 N -4.30 1.72 0.39 0.56 0.04 -1.26 -4.36 135.00 127.79 3ibd s PRO 482 Ca 0.66 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.85 3ibd s PRO 482 Cb -0.21 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 3ibd s PRO 482 CO 0.46 -2.08 1.08 0.99 0.04 0.00 0.00 177.00 177.49 3ibd s THR 483 N -2.70 3.55 0.18 1.26 2.01 -1.26 -5.00 115.64 113.68 3ibd s THR 483 Ca 0.65 1.24 -0.14 0.00 0.31 0.00 0.00 61.69 63.74 3ibd s THR 483 Cb -0.21 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.66 3ibd s THR 483 CO 0.55 0.05 0.42 -0.72 -0.69 0.00 0.00 174.62 174.24 3ibd s TYR 484 N -1.56 0.06 0.07 4.92 1.13 -1.26 -5.13 117.35 115.59 3ibd s TYR 484 Ca 0.57 -0.42 0.04 0.00 -1.41 0.00 0.00 57.07 55.85 3ibd s TYR 484 Cb -0.25 0.21 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 3ibd s TYR 484 CO 0.31 -0.82 0.02 -0.65 -2.51 0.00 0.00 175.55 171.90 3ibd s GLN 485 N -3.90 2.69 0.04 -3.49 -1.52 -1.26 -4.28 119.66 107.94 3ibd s GLN 485 Ca 0.11 -0.75 -0.11 0.00 -1.95 0.00 0.00 55.36 52.66 3ibd s GLN 485 Cb 0.01 -2.62 0.01 0.00 -0.22 0.00 0.00 33.01 30.19 3ibd s GLN 485 CO -0.03 0.56 0.23 -1.50 -0.25 0.00 0.00 175.29 174.31 3ibd s ILE 486 N -1.29 0.10 0.06 1.08 2.07 0.04 -4.73 121.20 118.52 3ibd s ILE 486 Ca 0.26 -0.82 0.06 0.00 -1.41 0.00 0.00 60.65 58.73 3ibd s ILE 486 Cb -0.12 -0.92 -0.03 0.00 0.13 0.00 0.00 42.46 41.53 3ibd s ILE 486 CO 0.18 -0.45 -0.16 0.00 -1.91 0.00 0.00 174.94 172.60 3ibd s ARG 487 N -2.56 0.98 -0.21 3.50 1.70 0.02 -1.00 118.95 121.38 3ibd s ARG 487 Ca -0.05 -0.88 -0.05 0.00 -0.47 0.00 0.00 55.73 54.28 3ibd s ARG 487 Cb -0.01 -1.03 -0.02 0.00 -0.57 0.00 0.00 34.95 33.32 3ibd s ARG 487 CO -0.04 0.25 -0.01 -0.06 -1.08 0.00 0.00 175.30 174.36 3ibd s PHE 488 N -0.99 3.01 -0.22 5.89 0.08 -1.26 -1.13 117.98 123.35 3ibd s PHE 488 Ca 0.02 -0.64 -0.05 0.00 0.12 0.00 0.00 56.93 56.38 3ibd s PHE 488 Cb -0.09 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.24 3ibd s PHE 488 CO 0.02 -0.37 0.01 -0.51 -0.10 0.00 0.00 175.22 174.26 3ibd s LEU 489 N 1.25 3.19 0.35 -0.37 1.43 0.04 -3.68 118.68 120.88 3ibd s LEU 489 Ca 0.03 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 3ibd s LEU 489 Cb -0.15 -1.83 -0.11 0.00 0.03 0.00 0.00 46.19 44.14 3ibd s LEU 489 CO 0.00 0.01 1.49 -2.84 0.23 0.00 0.00 176.35 175.24 3ibd s PRO 490 N 1.35 4.14 0.35 1.29 0.02 -1.26 -0.98 135.00 139.91 3ibd s PRO 490 Ca 0.04 2.53 0.16 0.00 0.02 0.00 0.00 61.00 63.76 3ibd s PRO 490 Cb -0.15 -2.99 0.61 0.00 0.02 0.00 0.00 34.50 32.00 3ibd s PRO 490 CO 0.01 -0.52 1.72 0.00 -0.33 0.00 0.00 177.00 177.88 3ibd h ARG 491 N 3.49 0.00 0.00 5.54 3.08 -1.78 -3.45 114.38 121.25 3ibd h ARG 491 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3ibd h ARG 491 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3ibd h ARG 491 CO 0.68 0.44 0.00 0.72 -1.07 0.00 0.00 179.97 180.74