#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f2o n LYS 33 N 3.58 2.21 -1.57 0.00 5.02 -1.26 -4.96 118.16 121.17 3f2o n LYS 33 Ca -0.09 0.79 -0.38 0.00 -2.02 0.00 0.00 58.31 56.62 3f2o n LYS 33 Cb 0.52 -2.56 0.05 0.00 -0.02 0.00 0.00 35.03 33.01 3f2o n LYS 33 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3f2o n PRO 34 N 3.29 0.81 -0.12 1.97 -0.02 -1.26 -4.81 135.00 134.87 3f2o n PRO 34 Ca 0.16 0.31 -0.07 0.00 -2.02 0.00 0.00 63.50 61.89 3f2o n PRO 34 Cb 0.30 -2.02 0.01 0.00 -0.02 0.00 0.00 33.50 31.77 3f2o n PRO 34 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3f2o h THR 35 N 0.49 1.00 -0.78 3.45 2.02 -1.99 -1.02 112.91 116.08 3f2o h THR 35 Ca -0.47 -0.15 0.09 0.00 0.77 0.00 0.00 66.41 66.65 3f2o h THR 35 Cb 1.37 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 3f2o h THR 35 CO 0.50 0.08 0.51 0.03 0.37 0.00 0.00 175.52 177.01 3f2o h ARG 36 N 0.42 0.71 -0.30 6.66 3.08 -1.99 0.16 114.38 123.12 3f2o h ARG 36 Ca 0.16 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 60.01 3f2o h ARG 36 Cb 0.05 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3f2o h ARG 36 CO -0.10 0.47 -0.41 1.25 -1.07 0.00 0.00 179.97 180.11 3f2o h LEU 37 N 0.74 0.89 -1.09 3.04 5.85 -1.75 -2.09 115.31 120.89 3f2o h LEU 37 Ca 0.35 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.60 3f2o h LEU 37 Cb 0.41 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3f2o h LEU 37 CO -0.13 1.21 0.62 0.44 -0.34 0.00 0.00 178.44 180.24 3f2o h ASP 38 N 0.59 1.04 -0.12 1.25 3.32 -0.15 -0.19 116.42 122.15 3f2o h ASP 38 Ca 0.03 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3f2o h ASP 38 Cb 1.01 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 3f2o h ASP 38 CO 0.10 0.73 0.02 -0.07 -1.72 0.00 0.00 179.24 178.30 3f2o h LEU 39 N 1.22 0.19 -0.55 1.55 3.38 -0.89 -2.31 115.31 117.89 3f2o h LEU 39 Ca 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3f2o h LEU 39 Cb -0.06 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3f2o h LEU 39 CO -0.10 0.39 0.29 0.25 0.09 0.00 0.00 178.44 179.37 3f2o h LEU 40 N -0.02 0.69 -1.41 1.67 6.46 -0.99 -2.55 115.31 119.16 3f2o h LEU 40 Ca 0.04 -0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 3f2o h LEU 40 Cb 0.28 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 3f2o h LEU 40 CO 0.00 0.60 -0.20 -0.07 -0.62 0.00 0.00 178.44 178.15 3f2o h LEU 41 N 0.74 0.00 -0.60 2.25 3.38 -0.97 -1.41 115.31 118.69 3f2o h LEU 41 Ca 0.19 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 3f2o h LEU 41 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3f2o h LEU 41 CO -0.03 0.20 -0.66 0.44 0.09 0.00 0.00 178.44 178.48 3f2o h ASP 42 N 0.00 0.00 -4.04 -0.43 3.32 -1.01 -3.47 116.42 110.80 3f2o h ASP 42 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3f2o h ASP 42 Cb 0.60 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.27 3f2o h ASP 42 CO 0.03 0.66 0.56 -0.04 -1.72 0.00 0.00 179.24 178.73 3f2o s MET 43 N -3.40 3.28 0.40 3.56 -1.94 -0.53 -4.96 119.30 115.71 3f2o s MET 43 Ca -0.00 2.07 -0.27 0.00 -1.71 0.00 0.00 55.69 55.77 3f2o s MET 43 Cb 0.12 -2.26 -0.10 0.00 2.01 0.00 0.00 34.83 34.60 3f2o s MET 43 CO 0.76 -1.03 1.40 -1.25 -0.01 0.00 0.00 175.02 174.90 3f2o s PRO 44 N -2.90 3.99 0.69 2.03 0.04 -1.26 -4.97 135.00 132.63 3f2o s PRO 44 Ca 0.70 2.38 -0.13 0.00 0.04 0.00 0.00 61.00 63.98 3f2o s PRO 44 Cb -0.36 -2.84 0.02 0.00 0.04 0.00 0.00 34.50 31.35 3f2o s PRO 44 CO 0.43 -0.55 1.10 -1.25 0.04 0.00 0.00 177.00 176.76 3f2o s PRO 45 N -2.19 2.65 0.67 0.56 0.04 -1.26 -4.96 135.00 130.51 3f2o s PRO 45 Ca 0.55 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 3f2o s PRO 45 Cb -0.43 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.17 3f2o s PRO 45 CO 0.56 -1.35 1.06 0.14 0.04 0.00 0.00 177.00 177.45 3f2o s VAL 46 N -2.55 3.89 0.84 -0.36 -7.23 -0.24 -5.00 120.40 109.74 3f2o s VAL 46 Ca 0.65 0.70 -0.12 0.00 -1.81 0.00 0.00 61.98 61.40 3f2o s VAL 46 Cb -0.19 -3.35 0.10 0.00 0.56 0.00 0.00 36.38 33.50 3f2o s VAL 46 CO 0.46 -0.72 1.17 -0.94 -0.31 0.00 0.00 175.10 174.77 3f2o s SER 47 N -3.43 3.47 0.28 4.85 1.04 -1.26 -4.74 113.70 113.90 3f2o s SER 47 Ca 0.60 2.24 0.01 0.00 0.48 0.00 0.00 55.95 59.29 3f2o s SER 47 Cb -0.15 -2.57 0.61 0.00 0.10 0.00 0.00 66.02 64.00 3f2o s SER 47 CO 0.49 -2.75 1.76 0.22 0.98 0.00 0.00 173.24 173.94 3f2o h TYR 48 N -1.25 0.82 -0.86 5.02 3.20 -1.98 -0.65 116.97 121.28 3f2o h TYR 48 Ca -0.45 0.04 0.12 0.00 3.14 0.00 0.00 58.73 61.57 3f2o h TYR 48 Cb 1.28 -0.23 -0.08 0.00 1.54 0.00 0.00 36.73 39.24 3f2o h TYR 48 CO 0.49 0.17 0.48 -0.44 -1.64 0.00 0.00 178.16 177.22 3f2o h ASP 49 N 0.63 0.66 -0.03 -2.11 3.32 -2.00 0.28 116.42 117.17 3f2o h ASP 49 Ca 0.50 0.06 -0.24 0.00 0.02 0.00 0.00 57.03 57.38 3f2o h ASP 49 Cb 0.76 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.26 3f2o h ASP 49 CO -0.39 0.35 -0.88 0.58 -1.72 0.00 0.00 179.24 177.17 3f2o h VAL 50 N 0.76 1.29 -0.95 -1.35 2.07 -1.71 -3.09 116.25 113.27 3f2o h VAL 50 Ca 0.43 -2.11 0.16 0.00 0.82 0.00 0.00 66.70 66.00 3f2o h VAL 50 Cb 0.48 2.16 -0.10 0.00 -1.52 0.00 0.00 31.29 32.31 3f2o h VAL 50 CO -0.29 0.66 0.56 1.56 0.02 0.00 0.00 177.57 180.08 3f2o h GLN 51 N 0.45 0.75 0.00 1.57 4.20 -0.06 0.12 115.11 122.14 3f2o h GLN 51 Ca -0.08 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 3f2o h GLN 51 Cb 1.52 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 29.13 3f2o h GLN 51 CO 0.17 0.49 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.62 3f2o h LEU 52 N 0.77 0.00 -1.61 1.46 3.38 -0.91 -1.77 115.31 116.63 3f2o h LEU 52 Ca 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.47 3f2o h LEU 52 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3f2o h LEU 52 CO -0.35 0.14 -0.09 -0.07 0.09 0.00 0.00 178.44 178.16 3f2o h LEU 53 N 0.00 0.00 -1.66 1.67 3.38 -0.98 -3.14 115.31 114.58 3f2o h LEU 53 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f2o h LEU 53 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3f2o h LEU 53 CO 0.02 0.09 0.00 1.41 0.09 0.00 0.00 178.44 180.04 3f2o n HIS 54 N -3.28 0.07 -1.18 1.13 8.25 -0.77 -4.45 115.22 114.99 3f2o n HIS 54 Ca -0.00 -0.10 -0.21 0.00 -0.26 0.00 0.00 57.72 57.15 3f2o n HIS 54 Cb 0.30 -0.01 0.16 0.00 1.12 0.00 0.00 29.99 31.57 3f2o n HIS 54 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3f2o n SER 55 N 0.47 -1.07 -4.76 0.41 3.41 -0.74 -3.78 113.62 107.55 3f2o n SER 55 Ca 0.06 -1.11 -0.41 0.00 -0.26 0.00 0.00 58.87 57.15 3f2o n SER 55 Cb 0.26 -0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 63.49 3f2o n SER 55 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3f2o s TRP 56 N -2.64 2.66 -0.43 7.33 0.23 -1.26 -0.27 118.94 124.56 3f2o s TRP 56 Ca 0.51 0.92 -0.20 0.00 -2.03 0.00 0.00 56.10 55.31 3f2o s TRP 56 Cb -0.04 -4.07 0.02 0.00 0.03 0.00 0.00 33.47 29.42 3f2o s TRP 56 CO 0.38 -3.41 0.58 1.21 0.96 0.00 0.00 176.95 176.66 3f2o s ASN 57 N 0.24 6.28 0.00 2.95 3.84 -0.48 -4.71 114.94 123.06 3f2o s ASN 57 Ca 0.59 -0.46 0.16 0.00 0.21 0.00 0.00 52.86 53.37 3f2o s ASN 57 Cb -0.48 -2.29 0.76 0.00 -0.55 0.00 0.00 41.25 38.70 3f2o s ASN 57 CO 0.55 -0.72 1.50 -3.20 -2.79 0.00 0.00 177.10 172.44 3f2o n ASN 58 N 6.05 0.00 -1.71 -4.21 5.15 -1.26 -1.64 115.26 117.64 3f2o n ASN 58 Ca -0.03 0.27 0.08 0.00 -0.60 0.00 0.00 54.58 54.29 3f2o n ASN 58 Cb 0.48 -0.39 0.38 0.00 -0.53 0.00 0.00 39.78 39.72 3f2o n ASN 58 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3f2o n ASN 59 N -1.39 5.32 -2.90 1.20 4.13 -1.26 -4.59 115.26 115.77 3f2o n ASN 59 Ca 0.06 -2.83 -0.13 0.00 1.68 0.00 0.00 54.58 53.36 3f2o n ASN 59 Cb 0.16 -0.64 0.02 0.00 -1.54 0.00 0.00 39.78 37.77 3f2o n ASN 59 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3f2o n ASP 60 N 0.62 -1.74 -3.86 6.41 2.03 -0.65 -5.13 116.55 114.22 3f2o n ASP 60 Ca 0.27 -3.16 -0.09 0.00 0.52 0.00 0.00 54.79 52.33 3f2o n ASP 60 Cb 1.10 0.99 -0.07 0.00 -0.72 0.00 0.00 41.12 42.42 3f2o n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3f2o s ARG 61 N -0.07 0.97 0.42 -0.67 1.70 -1.26 -1.83 118.95 118.21 3f2o s ARG 61 Ca 0.32 -0.99 -0.26 0.00 -0.47 0.00 0.00 55.73 54.33 3f2o s ARG 61 Cb 0.23 0.37 -0.09 0.00 -0.57 0.00 0.00 34.95 34.89 3f2o s ARG 61 CO -0.18 -0.33 1.40 0.45 -1.08 0.00 0.00 175.30 175.56 3f2o s SER 62 N -2.88 6.14 0.00 -2.89 0.15 0.03 -4.90 113.70 109.34 3f2o s SER 62 Ca 0.08 2.87 0.26 0.00 0.70 0.00 0.00 55.95 59.87 3f2o s SER 62 Cb 0.04 -2.65 1.58 0.00 -1.71 0.00 0.00 66.02 63.28 3f2o s SER 62 CO -0.08 -0.99 1.94 0.18 1.20 0.00 0.00 173.24 175.49 3f2o n LEU 63 N 0.09 0.00 -0.49 3.45 4.77 -1.26 -2.54 117.00 121.01 3f2o n LEU 63 Ca 0.04 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.09 3f2o n LEU 63 Cb 0.42 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.78 3f2o n LEU 63 CO 0.59 0.00 0.70 0.59 -1.33 0.00 0.00 177.39 177.94 3f2o n ASN 64 N -0.99 1.46 -4.36 -1.43 3.02 -1.26 -4.84 115.26 106.86 3f2o n ASN 64 Ca 0.20 -1.82 -0.18 0.00 -0.03 0.00 0.00 54.58 52.75 3f2o n ASN 64 Cb 0.09 -0.14 -0.10 0.00 -0.61 0.00 0.00 39.78 39.02 3f2o n ASN 64 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3f2o s VAL 65 N -1.72 1.28 -0.03 2.41 -7.23 -1.05 -0.34 120.40 113.70 3f2o s VAL 65 Ca 0.26 -2.07 -0.14 0.00 -1.81 0.00 0.00 61.98 58.22 3f2o s VAL 65 Cb 0.14 -2.33 0.02 0.00 0.56 0.00 0.00 36.38 34.77 3f2o s VAL 65 CO 0.20 -0.36 0.30 0.72 -0.31 0.00 0.00 175.10 175.64 3f2o s PHE 66 N -3.26 -0.19 0.07 2.82 -0.12 -0.53 -4.87 117.98 111.90 3f2o s PHE 66 Ca 0.28 0.34 -0.31 0.00 -0.05 0.00 0.00 56.93 57.19 3f2o s PHE 66 Cb 0.05 0.09 -0.07 0.00 -0.63 0.00 0.00 43.02 42.45 3f2o s PHE 66 CO 0.09 -0.34 1.42 0.08 -0.05 0.00 0.00 175.22 176.42 3f2o s VAL 67 N -1.06 3.43 -0.03 -2.49 1.01 -1.26 -1.16 120.40 118.85 3f2o s VAL 67 Ca -0.11 0.95 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 3f2o s VAL 67 Cb -0.05 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 3f2o s VAL 67 CO 0.03 0.04 1.57 -0.54 0.00 0.00 0.00 175.10 176.20 3f2o s LYS 68 N 1.72 4.21 0.22 2.72 -0.14 -0.63 -4.91 119.74 122.93 3f2o s LYS 68 Ca 0.65 2.13 -0.08 0.00 -1.36 0.00 0.00 55.97 57.31 3f2o s LYS 68 Cb -0.35 -3.80 0.29 0.00 -1.68 0.00 0.00 37.83 32.29 3f2o s LYS 68 CO 0.29 -0.75 1.79 0.93 -0.76 0.00 0.00 175.35 176.85 3f2o h GLU 69 N 8.82 0.60 -0.07 1.68 5.08 -1.93 -1.58 114.58 127.18 3f2o h GLU 69 Ca -0.39 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3f2o h GLU 69 Cb 1.18 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3f2o h GLU 69 CO 0.94 0.40 0.00 -0.40 -1.00 0.00 0.00 179.01 178.95 3f2o n ASP 70 N -4.84 0.95 -2.74 1.42 5.75 -1.26 -4.61 116.55 111.23 3f2o n ASP 70 Ca 0.10 -1.50 -0.06 0.00 -0.01 0.00 0.00 54.79 53.32 3f2o n ASP 70 Cb 0.23 -0.04 0.04 0.00 -1.03 0.00 0.00 41.12 40.32 3f2o n ASP 70 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3f2o n ASP 71 N -0.19 -2.86 0.00 -1.12 -0.08 -0.61 -5.05 116.55 106.65 3f2o n ASP 71 Ca 0.17 -2.87 0.12 0.00 -1.51 0.00 0.00 54.79 50.70 3f2o n ASP 71 Cb 0.23 1.63 0.64 0.00 2.34 0.00 0.00 41.12 45.96 3f2o n ASP 71 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3f2o n LYS 72 N 2.16 0.48 0.01 -0.67 5.02 -1.12 -1.36 118.16 122.67 3f2o n LYS 72 Ca 0.12 0.04 0.13 0.00 -2.02 0.00 0.00 58.31 56.58 3f2o n LYS 72 Cb 0.61 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.61 3f2o n LYS 72 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3f2o n LEU 73 N -1.19 0.21 -4.31 -0.35 4.32 -1.26 -4.32 117.00 110.10 3f2o n LEU 73 Ca 0.14 0.35 -0.32 0.00 -0.02 0.00 0.00 56.01 56.16 3f2o n LEU 73 Cb 0.15 -0.41 -0.16 0.00 -1.62 0.00 0.00 43.42 41.39 3f2o n LEU 73 CO 0.17 0.02 -0.52 -0.63 -1.22 0.00 0.00 177.39 175.22 3f2o s ILE 74 N -3.01 2.46 0.16 -0.08 1.01 -0.47 -1.64 121.20 119.64 3f2o s ILE 74 Ca 0.13 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.94 3f2o s ILE 74 Cb 0.18 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3f2o s ILE 74 CO 0.59 0.56 0.12 0.72 0.00 0.00 0.00 174.94 176.92 3f2o s PHE 75 N 0.10 3.12 -0.11 3.97 -0.12 -0.91 -1.61 117.98 122.41 3f2o s PHE 75 Ca -0.09 -0.03 0.01 0.00 -0.05 0.00 0.00 56.93 56.77 3f2o s PHE 75 Cb -0.15 -1.50 -0.01 0.00 -0.63 0.00 0.00 43.02 40.72 3f2o s PHE 75 CO 0.06 0.52 -0.16 -1.58 -0.05 0.00 0.00 175.22 174.00 3f2o s HIS 76 N -1.74 2.73 -0.25 3.49 5.65 -0.31 -2.37 115.29 122.49 3f2o s HIS 76 Ca 0.30 -0.70 -0.10 0.00 0.25 0.00 0.00 55.06 54.81 3f2o s HIS 76 Cb -0.10 -1.79 -0.05 0.00 -1.18 0.00 0.00 32.58 29.47 3f2o s HIS 76 CO 0.23 -0.23 0.16 0.50 -0.65 0.00 0.00 174.74 174.75 3f2o s ARG 77 N 0.24 4.02 0.62 2.88 3.52 -0.37 -1.45 118.95 128.41 3f2o s ARG 77 Ca -0.11 -0.29 -0.19 0.00 -0.13 0.00 0.00 55.73 55.01 3f2o s ARG 77 Cb -0.16 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.65 3f2o s ARG 77 CO 0.06 -0.01 1.28 -1.01 -0.81 0.00 0.00 175.30 174.81 3f2o s HIS 78 N 1.24 2.19 -1.28 5.12 3.76 0.53 0.32 115.29 127.17 3f2o s HIS 78 Ca 0.07 1.48 -0.09 0.00 -0.15 0.00 0.00 55.06 56.37 3f2o s HIS 78 Cb -0.14 -3.65 -0.11 0.00 1.11 0.00 0.00 32.58 29.79 3f2o s HIS 78 CO 0.06 -2.73 3.05 -0.35 -0.85 0.00 0.00 174.74 173.92 3f2o n PRO 79 N -1.72 3.43 -2.84 8.40 -0.04 -1.26 -4.52 135.00 136.45 3f2o n PRO 79 Ca 0.15 -2.07 -0.41 0.00 -0.04 0.00 0.00 63.50 61.12 3f2o n PRO 79 Cb 0.48 -2.63 -0.04 0.00 -0.04 0.00 0.00 33.50 31.28 3f2o n PRO 79 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3f2o s VAL 80 N 1.64 4.88 0.48 0.52 1.01 -1.26 -4.95 120.40 122.72 3f2o s VAL 80 Ca 0.68 1.77 -0.21 0.00 0.00 0.00 0.00 61.98 64.22 3f2o s VAL 80 Cb 0.21 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 3f2o s VAL 80 CO -0.05 0.08 1.11 0.00 0.00 0.00 0.00 175.10 176.23 3f2o s ALA 81 N 1.72 2.88 -1.23 5.51 0.00 -1.26 -4.03 121.76 125.35 3f2o s ALA 81 Ca 0.43 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 53.04 3f2o s ALA 81 Cb -0.18 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 3f2o s ALA 81 CO 0.17 -0.54 0.68 1.04 0.00 0.00 0.00 175.76 177.11 3f2o n GLN 82 N -0.77 -2.08 -3.75 0.00 1.13 -1.26 -4.91 117.38 105.73 3f2o n GLN 82 Ca 0.09 0.45 -0.13 0.00 -1.94 0.00 0.00 57.00 55.46 3f2o n GLN 82 Cb 0.50 -4.28 -0.11 0.00 0.11 0.00 0.00 30.24 26.46 3f2o n GLN 82 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3f2o s SER 83 N -3.80 -0.36 -0.07 1.08 0.15 -1.20 -0.76 113.70 108.75 3f2o s SER 83 Ca 0.30 0.70 0.04 0.00 0.70 0.00 0.00 55.95 57.69 3f2o s SER 83 Cb -0.11 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 3f2o s SER 83 CO 0.87 -0.12 -0.19 -0.89 1.20 0.00 0.00 173.24 174.11 3f2o s THR 84 N 0.24 1.59 -0.00 6.45 2.01 0.04 -4.64 115.64 121.33 3f2o s THR 84 Ca -0.00 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.23 3f2o s THR 84 Cb -0.03 -1.38 -0.00 0.00 0.01 0.00 0.00 72.50 71.10 3f2o s THR 84 CO -0.00 0.45 -0.04 -1.81 -0.69 0.00 0.00 174.62 172.53 3f2o s ASP 85 N 0.26 0.52 0.32 3.53 1.01 -0.47 -1.56 116.67 120.27 3f2o s ASP 85 Ca -0.11 -0.08 0.03 0.00 0.71 0.00 0.00 52.55 53.10 3f2o s ASP 85 Cb -0.15 -0.06 -0.06 0.00 1.01 0.00 0.00 42.92 43.67 3f2o s ASP 85 CO 0.05 0.05 0.06 0.00 0.21 0.00 0.00 175.17 175.54 3f2o s ALA 86 N -0.12 2.33 -0.23 5.23 0.00 0.52 -1.01 121.76 128.48 3f2o s ALA 86 Ca 0.02 -2.00 -0.25 0.00 0.00 0.00 0.00 51.96 49.72 3f2o s ALA 86 Cb -0.02 0.70 0.07 0.00 0.00 0.00 0.00 23.12 23.87 3f2o s ALA 86 CO -0.00 -0.32 0.69 -1.50 0.00 0.00 0.00 175.76 174.62 3f2o s ILE 87 N -3.34 0.00 0.19 0.00 2.07 -1.23 -0.79 121.20 118.11 3f2o s ILE 87 Ca 0.36 -0.01 0.06 0.00 -1.41 0.00 0.00 60.65 59.65 3f2o s ILE 87 Cb 0.08 -0.97 -0.04 0.00 0.13 0.00 0.00 42.46 41.67 3f2o s ILE 87 CO 0.15 -0.00 0.15 -0.13 -1.91 0.00 0.00 174.94 173.20 3f2o s ARG 88 N 0.12 2.88 0.81 3.50 0.52 -0.76 -3.55 118.95 122.48 3f2o s ARG 88 Ca -0.02 -0.94 -0.12 0.00 -0.52 0.00 0.00 55.73 54.14 3f2o s ARG 88 Cb -0.04 -2.61 0.08 0.00 0.52 0.00 0.00 34.95 32.90 3f2o s ARG 88 CO 0.02 0.46 1.10 0.20 0.02 0.00 0.00 175.30 177.10 3f2o s GLY 89 N -3.32 1.62 0.46 -3.53 0.00 -0.32 -1.39 107.32 100.84 3f2o s GLY 89 Ca 0.31 -0.24 0.24 0.00 0.00 0.00 0.00 44.72 45.03 3f2o s GLY 89 CO 0.24 0.20 1.93 0.50 0.00 0.00 0.00 173.10 175.97 3f2o h LYS 90 N -1.14 0.00 -5.42 2.90 1.57 -0.73 -3.42 116.57 110.33 3f2o h LYS 90 Ca -0.47 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.64 3f2o h LYS 90 Cb 1.28 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.30 3f2o h LYS 90 CO 0.60 0.21 -0.80 0.08 -0.57 0.00 0.00 179.45 178.96 3f2o s VAL 91 N -3.94 2.74 -0.26 0.50 1.01 -1.26 -5.03 120.40 114.16 3f2o s VAL 91 Ca -0.01 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 3f2o s VAL 91 Cb 0.12 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3f2o s VAL 91 CO 0.63 0.54 0.15 -0.83 0.00 0.00 0.00 175.10 175.59 3f2o s GLY 92 N 0.25 1.90 0.07 4.51 0.00 -1.26 -4.41 107.32 108.38 3f2o s GLY 92 Ca -0.11 -1.04 -0.20 0.00 0.00 0.00 0.00 44.72 43.36 3f2o s GLY 92 CO 0.06 0.54 0.60 -0.19 0.00 0.00 0.00 173.10 174.11 3f2o s TYR 93 N 1.50 3.79 -0.01 1.90 2.02 0.82 -4.63 117.35 122.74 3f2o s TYR 93 Ca 0.07 1.31 0.00 0.00 -0.37 0.00 0.00 57.07 58.08 3f2o s TYR 93 Cb -0.15 -2.56 -0.00 0.00 -0.40 0.00 0.00 41.96 38.84 3f2o s TYR 93 CO 0.07 0.52 0.01 0.25 -1.57 0.00 0.00 175.55 174.83 3f2o n THR 94 N 1.96 0.00 -3.76 -0.71 -2.24 -1.26 -0.74 114.28 107.52 3f2o n THR 94 Ca -0.09 -0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 3f2o n THR 94 Cb 0.51 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 3f2o n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f2o s ARG 95 N -1.67 1.60 0.00 -0.78 1.70 -1.26 -4.75 118.95 113.79 3f2o s ARG 95 Ca -0.00 -0.89 0.00 0.00 -0.47 0.00 0.00 55.73 54.37 3f2o s ARG 95 Cb 0.00 0.58 0.00 0.00 -0.57 0.00 0.00 34.95 34.96 3f2o s ARG 95 CO 0.01 -0.72 0.00 0.41 -1.08 0.00 0.00 175.30 173.93 3f2o n GLY 96 N -0.42 -1.32 3.69 3.88 0.00 -1.26 -4.77 105.19 104.99 3f2o n GLY 96 Ca -0.07 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 3f2o n GLY 96 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f2o s LEU 97 N -3.03 3.86 -0.03 0.99 2.96 0.34 -1.43 118.68 122.33 3f2o s LEU 97 Ca 0.00 0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 3f2o s LEU 97 Cb 0.00 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.76 3f2o s LEU 97 CO 0.00 0.27 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.23 3f2o s HIS 98 N -0.19 0.79 -0.06 5.38 3.76 -0.31 -0.88 115.29 123.79 3f2o s HIS 98 Ca 0.07 -0.21 0.04 0.00 -0.15 0.00 0.00 55.06 54.81 3f2o s HIS 98 Cb -0.12 -0.63 0.00 0.00 1.11 0.00 0.00 32.58 32.94 3f2o s HIS 98 CO 0.01 -0.14 -0.16 0.08 -0.85 0.00 0.00 174.74 173.68 3f2o s VAL 99 N 0.53 1.41 0.15 -0.90 1.01 -0.85 -0.37 120.40 121.38 3f2o s VAL 99 Ca -0.07 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.27 3f2o s VAL 99 Cb -0.11 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3f2o s VAL 99 CO 0.00 0.41 -0.10 -1.66 0.00 0.00 0.00 175.10 173.76 3f2o s TRP 100 N 0.25 1.26 -0.17 5.22 -2.14 -0.64 -1.11 118.94 121.62 3f2o s TRP 100 Ca -0.09 -0.77 -0.07 0.00 2.66 0.00 0.00 56.10 57.84 3f2o s TRP 100 Cb -0.13 -0.65 -0.04 0.00 -3.10 0.00 0.00 33.47 29.55 3f2o s TRP 100 CO 0.03 0.07 0.06 -1.14 -2.66 0.00 0.00 176.95 173.32 3f2o s GLN 101 N -3.75 3.82 -0.10 3.25 0.74 0.84 -0.79 119.66 123.66 3f2o s GLN 101 Ca 0.17 -0.34 -0.04 0.00 0.05 0.00 0.00 55.36 55.21 3f2o s GLN 101 Cb 0.03 -3.16 -0.04 0.00 1.10 0.00 0.00 33.01 30.94 3f2o s GLN 101 CO 0.01 0.37 0.04 0.42 -0.55 0.00 0.00 175.29 175.57 3f2o s ILE 102 N 0.10 4.65 -0.11 -2.34 -1.09 -0.30 -0.38 121.20 121.74 3f2o s ILE 102 Ca 0.05 -0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.36 3f2o s ILE 102 Cb -0.12 -2.98 0.02 0.00 -1.58 0.00 0.00 42.46 37.79 3f2o s ILE 102 CO 0.01 0.60 -0.11 -0.89 -1.23 0.00 0.00 174.94 173.32 3f2o s THR 103 N -0.84 1.22 -0.25 2.92 2.01 -0.43 -1.70 115.64 118.56 3f2o s THR 103 Ca 0.13 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.66 3f2o s THR 103 Cb -0.12 -1.16 0.13 0.00 0.01 0.00 0.00 72.50 71.36 3f2o s THR 103 CO 0.03 0.39 0.34 0.86 -0.69 0.00 0.00 174.62 175.54 3f2o s TRP 104 N 1.28 -0.67 0.25 4.92 -0.11 0.67 -1.15 118.94 124.13 3f2o s TRP 104 Ca -0.02 0.42 -0.30 0.00 1.22 0.00 0.00 56.10 57.42 3f2o s TRP 104 Cb -0.14 -0.19 -0.09 0.00 -1.50 0.00 0.00 33.47 31.55 3f2o s TRP 104 CO -0.04 -0.78 1.28 0.00 -4.62 0.00 0.00 176.95 172.78 3f2o s ALA 105 N 2.46 3.50 0.27 5.86 0.00 -1.26 -4.50 121.76 128.10 3f2o s ALA 105 Ca 0.10 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 3f2o s ALA 105 Cb -0.15 -3.46 0.59 0.00 0.00 0.00 0.00 23.12 20.10 3f2o s ALA 105 CO -0.21 -0.52 1.70 1.98 0.00 0.00 0.00 175.76 178.71 3f2o h MET 106 N 4.52 0.37 0.00 0.00 4.05 -1.91 0.15 114.93 122.11 3f2o h MET 106 Ca -0.46 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 3f2o h MET 106 Cb 1.22 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 3f2o h MET 106 CO 0.72 0.25 0.00 2.89 0.23 0.00 0.00 176.91 181.00 3f2o n ARG 107 N -5.06 0.19 -0.53 0.39 1.85 -1.26 -2.40 116.66 109.84 3f2o n ARG 107 Ca 0.18 0.14 0.04 0.00 -1.00 0.00 0.00 57.85 57.20 3f2o n ARG 107 Cb 0.54 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 30.66 3f2o n ARG 107 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3f2o n GLN 108 N -1.34 2.11 -0.04 2.89 6.02 0.53 -4.64 117.38 122.91 3f2o n GLN 108 Ca 0.07 -2.97 -0.13 0.00 -0.01 0.00 0.00 57.00 53.97 3f2o n GLN 108 Cb 0.16 -1.76 -0.14 0.00 1.02 0.00 0.00 30.24 29.52 3f2o n GLN 108 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3f2o n ARG 109 N -0.96 0.68 0.00 -1.09 1.74 -1.01 -4.67 116.66 111.35 3f2o n ARG 109 Ca 0.25 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 3f2o n ARG 109 Cb 0.89 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3f2o n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f2o n GLY 110 N 1.78 0.95 0.15 -0.13 0.00 -1.26 -3.83 105.19 102.84 3f2o n GLY 110 Ca -0.27 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.23 3f2o n GLY 110 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3f2o h THR 111 N 0.00 0.01 -2.09 2.61 1.35 -1.97 -3.42 112.91 109.39 3f2o h THR 111 Ca 0.00 -1.02 -0.41 0.00 -0.55 0.00 0.00 66.41 64.44 3f2o h THR 111 Cb 0.00 1.68 -0.33 0.00 -1.73 0.00 0.00 68.15 67.77 3f2o h THR 111 CO 0.00 0.01 -0.72 -1.00 -0.25 0.00 0.00 175.52 173.56 3f2o s HIS 112 N -3.31 -0.10 -0.35 4.73 3.76 -1.25 -4.95 115.29 113.82 3f2o s HIS 112 Ca 0.02 -0.94 -0.06 0.00 -0.15 0.00 0.00 55.06 53.93 3f2o s HIS 112 Cb 0.08 -0.51 0.05 0.00 1.11 0.00 0.00 32.58 33.31 3f2o s HIS 112 CO 0.75 -0.94 0.12 0.00 -0.85 0.00 0.00 174.74 173.82 3f2o s ALA 113 N 1.42 3.05 -0.04 -1.40 0.00 -1.25 -3.84 121.76 119.70 3f2o s ALA 113 Ca 0.17 -1.87 0.06 0.00 0.00 0.00 0.00 51.96 50.32 3f2o s ALA 113 Cb -0.17 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 3f2o s ALA 113 CO -0.05 -1.41 -0.22 0.08 0.00 0.00 0.00 175.76 174.17 3f2o s VAL 114 N 1.36 1.75 -0.04 0.00 1.01 -0.80 -1.32 120.40 122.36 3f2o s VAL 114 Ca -0.01 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3f2o s VAL 114 Cb -0.20 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.72 3f2o s VAL 114 CO 0.01 0.49 -0.10 -0.69 0.00 0.00 0.00 175.10 174.82 3f2o s VAL 115 N -0.26 0.89 0.00 2.92 1.01 -0.38 -1.30 120.40 123.27 3f2o s VAL 115 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3f2o s VAL 115 Cb -0.11 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.46 3f2o s VAL 115 CO 0.01 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3f2o n GLY 116 N 3.61 1.17 3.14 4.51 0.00 -0.79 -0.56 105.19 116.27 3f2o n GLY 116 Ca -0.21 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 3f2o n GLY 116 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f2o s VAL 117 N 1.07 0.33 0.00 1.61 -7.23 -0.87 -2.23 120.40 113.09 3f2o s VAL 117 Ca 0.00 -1.88 -0.14 0.00 -1.81 0.00 0.00 61.98 58.15 3f2o s VAL 117 Cb 0.00 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 35.19 3f2o s VAL 117 CO 0.00 -0.77 0.29 0.00 -0.31 0.00 0.00 175.10 174.31 3f2o s ALA 118 N -3.87 -0.71 0.99 1.32 0.00 -0.29 -1.53 121.76 117.67 3f2o s ALA 118 Ca 0.15 0.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 3f2o s ALA 118 Cb 0.07 0.14 0.18 0.00 0.00 0.00 0.00 23.12 23.52 3f2o s ALA 118 CO -0.04 -0.30 1.12 0.95 0.00 0.00 0.00 175.76 177.49 3f2o s THR 119 N -1.67 1.96 0.55 0.00 -4.23 -0.54 -0.65 115.64 111.06 3f2o s THR 119 Ca -0.11 0.00 0.35 0.00 -1.18 0.00 0.00 61.69 60.75 3f2o s THR 119 Cb -0.04 -2.62 0.38 0.00 1.34 0.00 0.00 72.50 71.56 3f2o s THR 119 CO 0.02 0.00 2.25 0.00 -0.54 0.00 0.00 174.62 176.35 3f2o h ALA 120 N -1.81 1.25 -0.00 3.99 0.00 -1.90 -2.97 119.26 117.81 3f2o h ALA 120 Ca -0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3f2o h ALA 120 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3f2o h ALA 120 CO 0.56 0.03 -0.45 -0.25 0.00 0.00 0.00 179.25 179.15 3f2o n ASP 121 N -3.47 0.46 -4.74 0.00 8.00 -1.26 -4.92 116.55 110.61 3f2o n ASP 121 Ca -0.02 -0.19 -0.42 0.00 0.71 0.00 0.00 54.79 54.87 3f2o n ASP 121 Cb 0.12 0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.39 3f2o n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f2o n ALA 122 N -1.48 2.20 -1.79 2.24 0.00 -1.12 -4.97 120.51 115.58 3f2o n ALA 122 Ca 0.06 0.36 -0.35 0.00 0.00 0.00 0.00 53.44 53.51 3f2o n ALA 122 Cb 0.34 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 3f2o n ALA 122 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3f2o s PRO 123 N -1.32 3.83 0.00 0.00 0.04 -1.26 -4.95 135.00 131.34 3f2o s PRO 123 Ca 0.59 1.48 0.13 0.00 0.04 0.00 0.00 61.00 63.24 3f2o s PRO 123 Cb -0.51 -2.23 0.32 0.00 0.04 0.00 0.00 34.50 32.12 3f2o s PRO 123 CO 0.57 -0.42 1.24 1.28 0.04 0.00 0.00 177.00 179.70 3f2o n LEU 124 N -0.73 2.94 -3.71 -3.56 4.77 -1.26 -4.91 117.00 110.54 3f2o n LEU 124 Ca 0.08 -1.82 -0.13 0.00 -0.03 0.00 0.00 56.01 54.11 3f2o n LEU 124 Cb 0.51 -0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 3f2o n LEU 124 CO 0.42 0.71 0.09 -2.28 -1.33 0.00 0.00 177.39 175.01 3f2o s HIS 125 N -1.02 -0.24 0.03 -1.77 2.46 -1.26 -0.36 115.29 113.13 3f2o s HIS 125 Ca 0.26 0.30 -0.07 0.00 0.47 0.00 0.00 55.06 56.02 3f2o s HIS 125 Cb 0.14 0.15 -0.00 0.00 -0.13 0.00 0.00 32.58 32.74 3f2o s HIS 125 CO 0.19 -0.47 0.13 0.45 -2.47 0.00 0.00 174.74 172.57 3f2o s SER 126 N -1.56 0.10 0.64 9.88 0.15 -0.60 -4.99 113.70 117.31 3f2o s SER 126 Ca -0.10 -0.41 -0.12 0.00 0.70 0.00 0.00 55.95 56.01 3f2o s SER 126 Cb -0.03 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.50 3f2o s SER 126 CO 0.02 -0.49 1.04 0.68 1.20 0.00 0.00 173.24 175.70 3f2o s VAL 127 N -2.32 4.23 0.15 4.45 -7.23 -1.26 -0.78 120.40 117.65 3f2o s VAL 127 Ca -0.07 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 60.91 3f2o s VAL 127 Cb -0.03 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.36 3f2o s VAL 127 CO -0.03 -0.86 0.00 0.61 -0.31 0.00 0.00 175.10 174.51 3f2o n GLY 128 N -1.98 -1.62 3.34 2.32 0.00 0.07 -4.70 105.19 102.61 3f2o n GLY 128 Ca 0.07 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 3f2o n GLY 128 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f2o s TYR 129 N -1.64 3.18 0.31 1.61 2.02 -1.26 -2.67 117.35 118.89 3f2o s TYR 129 Ca 0.00 -1.04 -0.07 0.00 -0.37 0.00 0.00 57.07 55.58 3f2o s TYR 129 Cb 0.00 -2.28 0.00 0.00 -0.40 0.00 0.00 41.96 39.28 3f2o s TYR 129 CO 0.00 -0.61 0.49 -0.08 -1.57 0.00 0.00 175.55 173.78 3f2o s THR 130 N 1.49 0.00 -1.29 -0.71 -1.32 -1.26 -5.01 115.64 107.53 3f2o s THR 130 Ca 0.02 -1.49 -0.09 0.00 -1.21 0.00 0.00 61.69 58.91 3f2o s THR 130 Cb -0.18 -2.50 0.16 0.00 -1.51 0.00 0.00 72.50 68.47 3f2o s THR 130 CO 0.03 0.00 1.95 0.35 -2.21 0.00 0.00 174.62 174.74 3f2o n THR 131 N -0.48 4.40 -0.13 5.08 -2.24 -1.26 -4.83 114.28 114.82 3f2o n THR 131 Ca -0.01 -4.33 -0.04 0.00 -2.27 0.00 0.00 64.05 57.40 3f2o n THR 131 Cb 0.62 -2.34 0.04 0.00 -2.10 0.00 0.00 70.33 66.55 3f2o n THR 131 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3f2o h LEU 132 N 7.70 -0.04 -8.84 3.22 5.85 -1.95 -2.94 115.31 118.31 3f2o h LEU 132 Ca 0.43 0.08 -0.57 0.00 0.84 0.00 0.00 57.88 58.67 3f2o h LEU 132 Cb 0.59 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 3f2o h LEU 132 CO 1.63 0.01 1.03 -0.69 -0.34 0.00 0.00 178.44 180.08 3f2o s VAL 133 N -6.16 4.00 0.00 1.05 1.01 -1.26 -2.56 120.40 116.48 3f2o s VAL 133 Ca -0.13 1.05 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3f2o s VAL 133 Cb 0.14 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3f2o s VAL 133 CO 0.72 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.74 3f2o n GLY 134 N 4.82 0.60 0.00 4.51 0.00 -1.25 -3.97 105.19 109.90 3f2o n GLY 134 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 3f2o n GLY 134 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f2o n ASN 135 N 0.00 0.00 -3.10 1.61 3.02 -1.06 0.14 115.26 115.87 3f2o n ASN 135 Ca 0.00 -1.68 -0.10 0.00 -0.03 0.00 0.00 54.58 52.77 3f2o n ASN 135 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 3f2o n ASN 135 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3f2o s ASN 136 N -1.23 0.12 0.00 6.41 2.20 -1.26 -4.04 114.94 117.14 3f2o s ASN 136 Ca 0.07 -1.14 0.22 0.00 -0.94 0.00 0.00 52.86 51.07 3f2o s ASN 136 Cb 0.03 0.80 1.00 0.00 -2.00 0.00 0.00 41.25 41.09 3f2o s ASN 136 CO 0.05 -1.58 1.72 1.57 -2.94 0.00 0.00 177.10 175.92 3f2o n HIS 137 N -0.53 0.00 0.32 1.54 -0.00 -1.26 -0.75 115.22 114.55 3f2o n HIS 137 Ca -0.06 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.77 3f2o n HIS 137 Cb 0.60 -0.44 0.19 0.00 -0.00 0.00 0.00 29.99 30.34 3f2o n HIS 137 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3f2o n GLU 138 N -1.44 2.35 -3.75 1.57 -0.58 -1.26 -4.87 120.64 112.66 3f2o n GLU 138 Ca 0.07 -2.15 -0.12 0.00 -0.42 0.00 0.00 57.16 54.54 3f2o n GLU 138 Cb 0.24 -1.47 -0.07 0.00 -0.57 0.00 0.00 31.44 29.57 3f2o n GLU 138 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3f2o s SER 139 N -1.43 -0.14 -0.11 1.62 1.04 -1.23 -1.46 113.70 111.98 3f2o s SER 139 Ca 0.34 -0.15 -0.03 0.00 0.48 0.00 0.00 55.95 56.60 3f2o s SER 139 Cb 0.21 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.72 3f2o s SER 139 CO 0.29 -0.59 0.05 0.26 0.98 0.00 0.00 173.24 174.22 3f2o s TRP 140 N -2.37 0.43 0.05 5.02 0.51 -0.58 -3.74 118.94 118.26 3f2o s TRP 140 Ca -0.06 -0.22 0.04 0.00 -2.12 0.00 0.00 56.10 53.74 3f2o s TRP 140 Cb -0.01 -0.72 -0.03 0.00 -0.81 0.00 0.00 33.47 31.90 3f2o s TRP 140 CO -0.02 -0.39 -0.11 0.20 -0.51 0.00 0.00 176.95 176.11 3f2o s GLY 141 N 2.05 0.68 -0.26 0.98 0.00 -0.20 -2.05 107.32 108.52 3f2o s GLY 141 Ca 0.03 -0.87 -0.07 0.00 0.00 0.00 0.00 44.72 43.81 3f2o s GLY 141 CO -0.06 -0.90 0.07 0.86 0.00 0.00 0.00 173.10 173.06 3f2o s TRP 142 N -1.28 3.09 -0.31 1.90 -0.00 0.28 -0.11 118.94 122.51 3f2o s TRP 142 Ca -0.05 -0.66 -0.29 0.00 -0.00 0.00 0.00 56.10 55.10 3f2o s TRP 142 Cb -0.10 -2.24 0.01 0.00 -0.00 0.00 0.00 33.47 31.15 3f2o s TRP 142 CO 0.01 -0.45 1.12 0.34 -0.00 0.00 0.00 176.95 177.97 3f2o s ASP 143 N 1.57 6.89 0.17 5.86 -1.08 0.11 -1.25 116.67 128.93 3f2o s ASP 143 Ca 0.05 1.09 0.00 0.00 -0.52 0.00 0.00 52.55 53.18 3f2o s ASP 143 Cb -0.16 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.77 3f2o s ASP 143 CO 0.03 -0.91 1.39 -0.07 0.52 0.00 0.00 175.17 176.13 3f2o h LEU 144 N 10.20 0.36 -0.01 -1.34 3.38 -1.50 -0.89 115.31 125.52 3f2o h LEU 144 Ca -0.22 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.34 3f2o h LEU 144 Cb 1.07 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.72 3f2o h LEU 144 CO 1.03 1.05 -0.56 1.23 0.09 0.00 0.00 178.44 181.28 3f2o h GLY 145 N 1.56 0.45 2.00 0.83 0.00 -1.92 -3.29 103.07 102.69 3f2o h GLY 145 Ca -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.52 3f2o h GLY 145 CO 0.13 0.68 0.00 3.21 0.00 0.00 0.00 176.54 180.56 3f2o h ARG 146 N -0.11 0.00 -5.86 4.80 3.08 -1.92 -3.48 114.38 110.90 3f2o h ARG 146 Ca -0.07 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.61 3f2o h ARG 146 Cb 1.27 0.00 0.12 0.00 0.08 0.00 0.00 29.97 31.43 3f2o h ARG 146 CO 0.11 0.00 -0.78 0.09 -1.07 0.00 0.00 179.97 178.32 3f2o n ASN 147 N -2.41 -2.35 -3.95 7.04 3.02 -0.35 -4.95 115.26 111.32 3f2o n ASN 147 Ca 0.05 -0.69 -0.13 0.00 -0.03 0.00 0.00 54.58 53.78 3f2o n ASN 147 Cb 0.44 -4.69 -0.13 0.00 -0.61 0.00 0.00 39.78 34.79 3f2o n ASN 147 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3f2o s ARG 148 N -5.74 0.28 -0.05 3.52 1.81 -1.12 -1.23 118.95 116.42 3f2o s ARG 148 Ca 0.10 -0.28 -0.13 0.00 -1.72 0.00 0.00 55.73 53.70 3f2o s ARG 148 Cb -0.05 -0.17 -0.05 0.00 -0.45 0.00 0.00 34.95 34.23 3f2o s ARG 148 CO 0.76 0.04 0.34 -0.51 -0.68 0.00 0.00 175.30 175.25 3f2o s LEU 149 N -0.51 4.43 -0.04 2.53 1.43 0.56 0.08 118.68 127.16 3f2o s LEU 149 Ca -0.03 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 53.90 3f2o s LEU 149 Cb -0.04 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.74 3f2o s LEU 149 CO -0.00 0.31 -0.11 -0.31 0.23 0.00 0.00 176.35 176.47 3f2o s TYR 150 N -0.86 1.22 -0.18 0.29 2.02 0.84 -1.94 117.35 118.74 3f2o s TYR 150 Ca 0.21 -0.35 -0.08 0.00 -0.37 0.00 0.00 57.07 56.48 3f2o s TYR 150 Cb -0.15 -0.87 0.07 0.00 -0.40 0.00 0.00 41.96 40.61 3f2o s TYR 150 CO 0.10 -0.15 0.41 -1.58 -1.57 0.00 0.00 175.55 172.77 3f2o s HIS 151 N 0.27 -0.69 -1.35 2.71 5.65 -1.05 -1.04 115.29 119.80 3f2o s HIS 151 Ca -0.06 1.39 -0.02 0.00 0.25 0.00 0.00 55.06 56.63 3f2o s HIS 151 Cb -0.11 0.28 0.01 0.00 -1.18 0.00 0.00 32.58 31.58 3f2o s HIS 151 CO 0.01 -0.41 0.69 -3.47 -0.65 0.00 0.00 174.74 170.92 3f2o n ASP 152 N 4.78 -1.43 0.20 9.88 2.03 0.07 -4.58 116.55 127.51 3f2o n ASP 152 Ca -0.16 -0.84 0.15 0.00 0.52 0.00 0.00 54.79 54.45 3f2o n ASP 152 Cb 0.53 -3.90 0.66 0.00 -0.72 0.00 0.00 41.12 37.69 3f2o n ASP 152 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3f2o h GLY 153 N -1.89 0.00 2.00 0.27 0.00 -0.44 -0.15 103.07 102.86 3f2o h GLY 153 Ca -0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3f2o h GLY 153 CO 0.58 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.40 3f2o n LYS 154 N -2.58 0.24 -0.00 4.80 4.76 -1.26 -4.11 118.16 120.01 3f2o n LYS 154 Ca 0.00 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 3f2o n LYS 154 Cb 0.19 -1.80 -0.01 0.00 -1.84 0.00 0.00 35.03 31.58 3f2o n LYS 154 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3f2o n ASN 155 N -2.22 3.75 -4.31 4.39 3.02 -0.46 -5.06 115.26 114.36 3f2o n ASN 155 Ca 0.05 -0.12 -0.25 0.00 -0.03 0.00 0.00 54.58 54.23 3f2o n ASN 155 Cb 0.41 1.03 -0.13 0.00 -0.61 0.00 0.00 39.78 40.48 3f2o n ASN 155 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3f2o s GLN 156 N -1.84 1.22 0.59 3.52 -1.52 -0.19 -5.13 119.66 116.31 3f2o s GLN 156 Ca -0.00 -1.18 -0.18 0.00 -1.95 0.00 0.00 55.36 52.05 3f2o s GLN 156 Cb 0.01 -1.52 -0.03 0.00 -0.22 0.00 0.00 33.01 31.24 3f2o s GLN 156 CO 0.04 0.36 1.12 -1.25 -0.25 0.00 0.00 175.29 175.31 3f2o s PRO 157 N -1.85 3.13 0.82 2.91 0.04 -1.26 -4.48 135.00 134.30 3f2o s PRO 157 Ca 0.08 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 3f2o s PRO 157 Cb -0.10 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.54 3f2o s PRO 157 CO 0.04 -1.01 1.12 -1.54 0.04 0.00 0.00 177.00 175.65 3f2o s SER 158 N -2.11 4.36 -0.01 6.66 1.04 -1.26 -4.86 113.70 117.52 3f2o s SER 158 Ca 0.70 1.08 0.04 0.00 0.48 0.00 0.00 55.95 58.26 3f2o s SER 158 Cb -0.22 -1.74 -0.01 0.00 0.10 0.00 0.00 66.02 64.15 3f2o s SER 158 CO 0.33 -2.03 -0.13 -0.75 0.98 0.00 0.00 173.24 171.64 3f2o s LYS 159 N -5.30 1.07 0.27 4.02 2.20 -0.82 -4.93 119.74 116.25 3f2o s LYS 159 Ca 0.61 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 55.42 3f2o s LYS 159 Cb -0.13 -1.04 -0.10 0.00 -1.51 0.00 0.00 37.83 35.05 3f2o s LYS 159 CO 0.53 0.28 1.48 0.99 -0.36 0.00 0.00 175.35 178.26 3f2o s THR 160 N -0.36 2.48 -0.19 3.43 2.01 -1.26 -0.32 115.64 121.43 3f2o s THR 160 Ca 0.05 0.41 -0.12 0.00 0.31 0.00 0.00 61.69 62.34 3f2o s THR 160 Cb -0.05 -3.26 0.06 0.00 0.01 0.00 0.00 72.50 69.25 3f2o s THR 160 CO -0.00 0.07 0.46 -0.47 -0.69 0.00 0.00 174.62 173.98 3f2o s TYR 161 N -0.11 -0.64 0.57 4.92 5.04 -0.36 -3.95 117.35 122.82 3f2o s TYR 161 Ca 0.60 1.39 -0.21 0.00 -2.44 0.00 0.00 57.07 56.41 3f2o s TYR 161 Cb -0.44 0.29 -0.04 0.00 0.35 0.00 0.00 41.96 42.13 3f2o s TYR 161 CO 0.46 -0.35 1.32 -1.25 -1.34 0.00 0.00 175.55 174.40 3f2o s PRO 162 N 1.18 2.99 0.59 4.97 0.04 -1.26 -4.11 135.00 139.40 3f2o s PRO 162 Ca -0.08 2.15 0.35 0.00 0.04 0.00 0.00 61.00 63.46 3f2o s PRO 162 Cb -0.07 -2.13 1.82 0.00 0.04 0.00 0.00 34.50 34.16 3f2o s PRO 162 CO -0.11 -1.28 2.18 0.00 0.04 0.00 0.00 177.00 177.83 3f2o h ALA 163 N 1.20 1.14 0.00 8.56 0.00 -1.81 -2.83 119.26 125.51 3f2o h ALA 163 Ca -0.51 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3f2o h ALA 163 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3f2o h ALA 163 CO 0.56 0.05 0.00 1.97 0.00 0.00 0.00 179.25 181.83 3f2o n PHE 164 N -3.33 0.10 -1.98 0.00 -1.74 -1.26 -4.82 117.46 104.43 3f2o n PHE 164 Ca -0.02 0.04 -0.42 0.00 -0.56 0.00 0.00 57.45 56.49 3f2o n PHE 164 Cb 0.18 -0.56 -0.03 0.00 1.52 0.00 0.00 39.48 40.59 3f2o n PHE 164 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 3f2o s LEU 165 N -3.18 4.36 1.04 5.98 1.43 -1.07 -5.02 118.68 122.22 3f2o s LEU 165 Ca 0.08 2.45 -0.12 0.00 -1.03 0.00 0.00 54.13 55.51 3f2o s LEU 165 Cb 0.11 -3.57 0.21 0.00 0.03 0.00 0.00 46.19 42.98 3f2o s LEU 165 CO 0.34 -0.84 1.07 -1.83 0.23 0.00 0.00 176.35 175.32 3f2o s GLU 166 N 2.20 0.08 0.07 1.70 4.04 -1.26 -4.93 118.70 120.60 3f2o s GLU 166 Ca 0.71 0.70 -0.21 0.00 0.04 0.00 0.00 54.97 56.21 3f2o s GLU 166 Cb -0.39 -1.68 -0.11 0.00 0.02 0.00 0.00 34.13 31.97 3f2o s GLU 166 CO 0.31 -3.02 1.55 -1.00 -1.84 0.00 0.00 175.26 171.26 3f2o h PRO 167 N -2.11 0.28 -0.07 -4.83 0.13 -2.00 -2.31 132.00 121.11 3f2o h PRO 167 Ca -0.56 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3f2o h PRO 167 Cb 1.32 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3f2o h PRO 167 CO 0.54 0.44 0.00 -0.25 -0.23 0.00 0.00 178.00 178.51 3f2o n ASP 168 N -4.78 0.79 -4.75 1.44 8.00 -1.26 -4.98 116.55 111.02 3f2o n ASP 168 Ca -0.05 -1.50 -0.40 0.00 0.71 0.00 0.00 54.79 53.55 3f2o n ASP 168 Cb 0.18 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 3f2o n ASP 168 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3f2o s GLU 169 N -1.92 4.71 0.01 -1.24 2.12 -0.87 -5.03 118.70 116.48 3f2o s GLU 169 Ca 0.33 1.64 -0.14 0.00 0.36 0.00 0.00 54.97 57.16 3f2o s GLU 169 Cb 0.16 -3.26 -0.06 0.00 0.26 0.00 0.00 34.13 31.24 3f2o s GLU 169 CO 0.26 0.29 0.40 -0.08 -0.54 0.00 0.00 175.26 175.59 3f2o s THR 170 N -0.87 5.05 -0.14 -1.70 -1.32 -1.26 -4.88 115.64 110.52 3f2o s THR 170 Ca 0.44 0.78 -0.02 0.00 -1.21 0.00 0.00 61.69 61.69 3f2o s THR 170 Cb -0.29 -3.70 0.04 0.00 -1.51 0.00 0.00 72.50 67.05 3f2o s THR 170 CO 0.36 0.55 -0.01 0.12 -2.21 0.00 0.00 174.62 173.42 3f2o s PHE 171 N -1.12 1.10 -0.29 9.09 5.36 -1.26 -5.10 117.98 125.76 3f2o s PHE 171 Ca 0.25 -0.65 -0.20 0.00 -0.96 0.00 0.00 56.93 55.36 3f2o s PHE 171 Cb -0.16 -1.03 -0.01 0.00 -0.34 0.00 0.00 43.02 41.47 3f2o s PHE 171 CO 0.14 -0.50 0.63 0.42 -1.46 0.00 0.00 175.22 174.45 3f2o s ILE 172 N 1.83 4.95 -0.22 3.12 1.01 -1.26 -4.91 121.20 125.73 3f2o s ILE 172 Ca 0.02 0.95 -0.29 0.00 0.00 0.00 0.00 60.65 61.33 3f2o s ILE 172 Cb -0.14 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.35 3f2o s ILE 172 CO -0.07 -0.09 1.04 -0.69 0.00 0.00 0.00 174.94 175.13 3f2o s VAL 173 N 2.58 4.69 1.03 2.92 1.01 -1.26 -5.03 120.40 126.34 3f2o s VAL 173 Ca 0.26 2.03 -0.13 0.00 0.00 0.00 0.00 61.98 64.14 3f2o s VAL 173 Cb -0.15 -4.31 0.21 0.00 0.00 0.00 0.00 36.38 32.13 3f2o s VAL 173 CO 0.11 -0.16 1.09 -2.16 0.00 0.00 0.00 175.10 173.97 3f2o s PRO 174 N 3.10 0.17 0.36 2.72 0.04 -1.26 -4.91 135.00 135.23 3f2o s PRO 174 Ca 0.44 0.48 0.07 0.00 0.04 0.00 0.00 61.00 62.03 3f2o s PRO 174 Cb -0.15 -1.71 0.77 0.00 0.04 0.00 0.00 34.50 33.45 3f2o s PRO 174 CO 0.07 -2.90 1.95 -0.44 0.04 0.00 0.00 177.00 175.72 3f2o h ASP 175 N -2.01 0.65 -4.28 6.66 3.32 -1.95 -3.41 116.42 115.39 3f2o h ASP 175 Ca -0.55 0.01 -0.60 0.00 0.02 0.00 0.00 57.03 55.91 3f2o h ASP 175 Cb 1.33 -0.13 -0.26 0.00 0.22 0.00 0.00 39.33 40.50 3f2o h ASP 175 CO 0.57 0.40 -0.85 -0.55 -1.72 0.00 0.00 179.24 177.09 3f2o s SER 176 N -6.14 2.57 0.30 6.45 0.15 -1.26 -0.23 113.70 115.53 3f2o s SER 176 Ca -0.10 -0.54 -0.19 0.00 0.70 0.00 0.00 55.95 55.83 3f2o s SER 176 Cb 0.20 -0.21 0.06 0.00 -1.71 0.00 0.00 66.02 64.36 3f2o s SER 176 CO 0.77 0.17 0.90 0.72 1.20 0.00 0.00 173.24 177.00 3f2o s PHE 177 N -0.81 0.09 0.10 3.44 -0.12 -0.69 -4.66 117.98 115.33 3f2o s PHE 177 Ca 0.08 -0.65 0.10 0.00 -0.05 0.00 0.00 56.93 56.42 3f2o s PHE 177 Cb -0.09 0.78 -0.04 0.00 -0.63 0.00 0.00 43.02 43.04 3f2o s PHE 177 CO 0.02 -1.28 -0.26 -0.51 -0.05 0.00 0.00 175.22 173.14 3f2o s LEU 178 N -3.22 2.32 -0.12 -1.99 1.43 -0.38 -1.15 118.68 115.57 3f2o s LEU 178 Ca 0.18 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3f2o s LEU 178 Cb -0.04 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 44.90 3f2o s LEU 178 CO 0.09 0.21 -0.18 -0.69 0.23 0.00 0.00 176.35 176.00 3f2o s VAL 179 N -0.99 2.51 -0.25 -1.59 1.01 0.03 -1.28 120.40 119.84 3f2o s VAL 179 Ca 0.14 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3f2o s VAL 179 Cb -0.10 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.31 3f2o s VAL 179 CO 0.05 0.54 -0.12 0.00 0.00 0.00 0.00 175.10 175.57 3f2o s ALA 180 N 0.47 2.53 -0.28 5.51 0.00 0.55 -1.62 121.76 128.92 3f2o s ALA 180 Ca -0.13 -1.66 -0.07 0.00 0.00 0.00 0.00 51.96 50.10 3f2o s ALA 180 Cb -0.17 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 3f2o s ALA 180 CO 0.05 -1.04 0.08 -1.17 0.00 0.00 0.00 175.76 173.68 3f2o s LEU 181 N 1.14 3.71 -0.43 0.00 2.96 0.50 -0.91 118.68 125.65 3f2o s LEU 181 Ca -0.06 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.20 3f2o s LEU 181 Cb -0.19 -1.89 0.08 0.00 0.50 0.00 0.00 46.19 44.69 3f2o s LEU 181 CO -0.06 -0.14 0.28 -0.62 -1.32 0.00 0.00 176.35 174.49 3f2o s ASP 182 N 1.54 5.69 0.41 3.68 -1.08 0.67 -1.16 116.67 126.43 3f2o s ASP 182 Ca 0.04 -1.54 0.22 0.00 -0.52 0.00 0.00 52.55 50.74 3f2o s ASP 182 Cb -0.16 -2.01 0.37 0.00 -1.46 0.00 0.00 42.92 39.66 3f2o s ASP 182 CO 0.03 -0.57 1.61 0.24 0.52 0.00 0.00 175.17 176.99 3f2o h MET 183 N 8.45 0.00 0.02 4.34 2.86 -1.50 0.37 114.93 129.47 3f2o h MET 183 Ca -0.23 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3f2o h MET 183 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3f2o h MET 183 CO 0.78 0.13 -0.01 -0.44 1.06 0.00 0.00 176.91 178.43 3f2o h ASP 184 N 0.00 -0.02 0.97 1.22 3.32 -1.87 -3.23 116.42 116.81 3f2o h ASP 184 Ca -0.00 -0.64 -0.10 0.00 0.02 0.00 0.00 57.03 56.30 3f2o h ASP 184 Cb 1.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3f2o h ASP 184 CO 0.02 0.64 -0.50 0.44 -1.72 0.00 0.00 179.24 178.12 3f2o h ASP 185 N -0.70 0.00 -1.59 6.45 3.32 -1.92 -3.47 116.42 118.51 3f2o h ASP 185 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3f2o h ASP 185 Cb 0.66 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.21 3f2o h ASP 185 CO 0.00 0.50 -0.03 0.61 -1.72 0.00 0.00 179.24 178.60 3f2o n GLY 186 N 0.56 0.70 3.26 2.75 0.00 0.11 -4.69 105.19 107.88 3f2o n GLY 186 Ca 0.00 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 3f2o n GLY 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f2o s THR 187 N -3.01 1.35 -0.10 2.61 -4.23 0.05 -0.89 115.64 111.42 3f2o s THR 187 Ca 0.02 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 3f2o s THR 187 Cb -0.01 -1.72 0.01 0.00 1.34 0.00 0.00 72.50 72.12 3f2o s THR 187 CO 0.03 -0.56 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.19 3f2o s LEU 188 N -2.84 1.66 0.29 4.79 2.96 -0.78 -0.23 118.68 124.52 3f2o s LEU 188 Ca 0.14 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3f2o s LEU 188 Cb -0.02 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.61 3f2o s LEU 188 CO 0.03 0.01 0.09 -0.44 -1.32 0.00 0.00 176.35 174.72 3f2o s SER 189 N 0.97 1.69 0.06 3.68 0.01 -0.09 -0.28 113.70 119.74 3f2o s SER 189 Ca -0.07 -1.42 0.05 0.00 1.31 0.00 0.00 55.95 55.81 3f2o s SER 189 Cb -0.15 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.19 3f2o s SER 189 CO -0.01 -0.73 -0.14 -0.36 0.41 0.00 0.00 173.24 172.41 3f2o s PHE 190 N -3.57 1.23 -0.10 2.43 0.08 -1.25 -0.33 117.98 116.46 3f2o s PHE 190 Ca 0.36 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 57.03 3f2o s PHE 190 Cb 0.07 -0.71 0.01 0.00 -0.57 0.00 0.00 43.02 41.83 3f2o s PHE 190 CO 0.15 0.05 -0.18 0.42 -0.10 0.00 0.00 175.22 175.55 3f2o s ILE 191 N -1.07 1.68 -0.15 0.64 1.09 -0.41 -0.15 121.20 122.82 3f2o s ILE 191 Ca -0.00 -0.78 0.00 0.00 -1.10 0.00 0.00 60.65 58.78 3f2o s ILE 191 Cb -0.09 -1.49 0.03 0.00 -1.06 0.00 0.00 42.46 39.84 3f2o s ILE 191 CO 0.02 0.48 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.51 3f2o s VAL 192 N 0.68 1.54 -1.44 2.92 1.01 -0.13 -1.25 120.40 123.73 3f2o s VAL 192 Ca -0.12 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 3f2o s VAL 192 Cb -0.16 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.76 3f2o s VAL 192 CO 0.03 0.40 0.46 -0.67 0.00 0.00 0.00 175.10 175.33 3f2o n ASP 193 N 4.77 -0.71 0.00 3.32 2.03 -1.26 -1.88 116.55 122.82 3f2o n ASP 193 Ca -0.16 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.14 3f2o n ASP 193 Cb 0.49 -3.02 0.00 0.00 -0.72 0.00 0.00 41.12 37.87 3f2o n ASP 193 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3f2o n GLY 194 N -1.93 1.79 3.61 0.27 0.00 -1.26 -5.00 105.19 102.67 3f2o n GLY 194 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 3f2o n GLY 194 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3f2o s GLN 195 N -0.03 3.98 0.03 1.61 2.00 -0.79 -5.05 119.66 121.41 3f2o s GLN 195 Ca 0.00 -0.31 -0.30 0.00 -2.00 0.00 0.00 55.36 52.75 3f2o s GLN 195 Cb 0.00 -3.59 -0.07 0.00 0.80 0.00 0.00 33.01 30.15 3f2o s GLN 195 CO 0.00 -0.08 1.68 -0.47 -0.50 0.00 0.00 175.29 175.92 3f2o s TYR 196 N 1.46 2.18 -2.28 1.67 5.04 -1.26 -0.96 117.35 123.20 3f2o s TYR 196 Ca 0.07 0.21 0.20 0.00 -2.44 0.00 0.00 57.07 55.11 3f2o s TYR 196 Cb -0.15 -3.97 0.66 0.00 0.35 0.00 0.00 41.96 38.85 3f2o s TYR 196 CO 0.08 -4.02 1.50 -1.33 -1.34 0.00 0.00 175.55 170.44 3f2o n MET 197 N 6.25 1.84 0.00 4.97 2.81 0.79 -4.76 117.12 129.01 3f2o n MET 197 Ca 0.17 -1.27 0.00 0.00 -1.81 0.00 0.00 57.70 54.78 3f2o n MET 197 Cb 0.41 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 3f2o n MET 197 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3f2o n GLY 198 N 1.17 1.10 3.71 3.03 0.00 -1.26 -4.59 105.19 108.35 3f2o n GLY 198 Ca 0.16 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 3f2o n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f2o s VAL 199 N -2.73 2.56 -0.20 1.61 1.01 -1.26 -3.95 120.40 117.44 3f2o s VAL 199 Ca 0.00 0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 3f2o s VAL 199 Cb 0.00 -3.18 -0.20 0.00 0.00 0.00 0.00 36.38 33.00 3f2o s VAL 199 CO 0.00 0.01 0.04 0.00 0.00 0.00 0.00 175.10 175.16 3f2o n ALA 200 N 4.66 1.08 -2.83 5.51 0.00 0.62 -4.98 120.51 124.57 3f2o n ALA 200 Ca 0.15 -0.81 -0.13 0.00 0.00 0.00 0.00 53.44 52.65 3f2o n ALA 200 Cb 0.38 -0.35 -0.11 0.00 0.00 0.00 0.00 19.45 19.36 3f2o n ALA 200 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3f2o s PHE 201 N -2.50 0.72 0.37 0.00 0.08 -0.91 -4.99 117.98 110.75 3f2o s PHE 201 Ca -0.30 -0.51 0.04 0.00 0.12 0.00 0.00 56.93 56.28 3f2o s PHE 201 Cb 0.09 -0.43 -0.06 0.00 -0.57 0.00 0.00 43.02 42.05 3f2o s PHE 201 CO 0.64 -0.07 0.05 1.03 -0.10 0.00 0.00 175.22 176.77 3f2o s ARG 202 N -1.66 1.81 0.00 0.44 0.52 -1.26 -1.87 118.95 116.93 3f2o s ARG 202 Ca -0.09 -2.04 0.00 0.00 -0.52 0.00 0.00 55.73 53.08 3f2o s ARG 202 Cb -0.10 -1.07 0.00 0.00 0.52 0.00 0.00 34.95 34.31 3f2o s ARG 202 CO 0.00 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.52 3f2o n GLY 203 N -0.83 0.86 1.06 -3.53 0.00 -0.58 -4.94 105.19 97.22 3f2o n GLY 203 Ca -0.05 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.70 3f2o n GLY 203 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f2o n LEU 204 N 0.00 3.23 -4.69 0.99 4.77 -0.07 -4.98 117.00 116.25 3f2o n LEU 204 Ca 0.00 -1.25 -0.38 0.00 -0.03 0.00 0.00 56.01 54.34 3f2o n LEU 204 Cb 0.03 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 3f2o n LEU 204 CO 0.00 0.62 0.82 0.29 -1.33 0.00 0.00 177.39 177.79 3f2o n LYS 205 N 1.42 1.39 -0.86 3.23 5.02 -1.26 -2.92 118.16 124.18 3f2o n LYS 205 Ca 0.17 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 3f2o n LYS 205 Cb 0.60 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 3f2o n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f2o n GLY 206 N 0.96 0.51 3.10 0.72 0.00 -1.26 -5.02 105.19 104.19 3f2o n GLY 206 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 3f2o n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f2o n LYS 207 N -1.82 0.49 -3.81 1.61 5.02 -1.15 -5.10 118.16 113.41 3f2o n LYS 207 Ca 0.00 -2.39 -0.29 0.00 -2.02 0.00 0.00 58.31 53.61 3f2o n LYS 207 Cb 0.06 -0.29 -0.16 0.00 -0.02 0.00 0.00 35.03 34.62 3f2o n LYS 207 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3f2o s LYS 208 N -4.23 1.00 -0.03 1.97 2.20 -1.26 -4.38 119.74 115.01 3f2o s LYS 208 Ca 0.50 -0.77 0.07 0.00 -0.36 0.00 0.00 55.97 55.41 3f2o s LYS 208 Cb -0.04 -2.27 -0.02 0.00 -1.51 0.00 0.00 37.83 34.00 3f2o s LYS 208 CO 0.32 -0.70 -0.26 -0.51 -0.36 0.00 0.00 175.35 173.84 3f2o s LEU 209 N 1.64 2.06 -0.00 5.43 1.43 0.09 -4.37 118.68 124.95 3f2o s LEU 209 Ca -0.00 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 3f2o s LEU 209 Cb -0.18 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 3f2o s LEU 209 CO -0.11 0.29 -0.20 -0.31 0.23 0.00 0.00 176.35 176.25 3f2o s TYR 210 N -0.44 2.50 0.47 0.29 2.02 0.17 -0.13 117.35 122.24 3f2o s TYR 210 Ca 0.05 -0.30 -0.24 0.00 -0.37 0.00 0.00 57.07 56.20 3f2o s TYR 210 Cb -0.11 -1.51 -0.08 0.00 -0.40 0.00 0.00 41.96 39.85 3f2o s TYR 210 CO 0.01 0.13 1.32 -2.30 -1.57 0.00 0.00 175.55 173.13 3f2o n PRO 211 N 2.07 1.91 -3.61 -1.71 -0.02 -1.26 -1.14 135.00 131.25 3f2o n PRO 211 Ca -0.16 0.69 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 3f2o n PRO 211 Cb 0.52 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 3f2o n PRO 211 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3f2o s VAL 212 N -1.23 0.04 0.03 -1.45 0.11 -0.95 -1.18 120.40 115.77 3f2o s VAL 212 Ca 0.64 -0.31 -0.01 0.00 -2.93 0.00 0.00 61.98 59.38 3f2o s VAL 212 Cb -0.47 -0.95 -0.02 0.00 -1.53 0.00 0.00 36.38 33.41 3f2o s VAL 212 CO 0.55 -0.17 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.44 3f2o s VAL 213 N -2.31 0.13 -0.01 2.04 1.01 -1.23 -1.88 120.40 118.15 3f2o s VAL 213 Ca -0.06 -1.10 0.06 0.00 0.00 0.00 0.00 61.98 60.89 3f2o s VAL 213 Cb -0.01 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 3f2o s VAL 213 CO -0.01 -0.60 -0.21 -0.94 0.00 0.00 0.00 175.10 173.34 3f2o s SER 214 N -1.78 2.42 0.04 3.32 1.04 -0.42 -3.52 113.70 114.79 3f2o s SER 214 Ca -0.11 -0.39 -0.00 0.00 0.48 0.00 0.00 55.95 55.93 3f2o s SER 214 Cb -0.06 -0.26 -0.03 0.00 0.10 0.00 0.00 66.02 65.77 3f2o s SER 214 CO -0.03 0.24 -0.04 0.00 0.98 0.00 0.00 173.24 174.40 3f2o s ALA 215 N -0.52 0.36 0.00 5.32 0.00 -0.18 -1.90 121.76 124.84 3f2o s ALA 215 Ca 0.08 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3f2o s ALA 215 Cb -0.08 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3f2o s ALA 215 CO -0.00 -0.24 0.21 1.33 0.00 0.00 0.00 175.76 177.06 3f2o n VAL 216 N 0.89 0.00 -3.43 0.00 0.24 -1.25 -1.37 118.33 113.41 3f2o n VAL 216 Ca -0.19 -0.31 -0.37 0.00 -2.04 0.00 0.00 64.34 61.42 3f2o n VAL 216 Cb 0.58 1.26 -0.06 0.00 -1.47 0.00 0.00 33.84 34.14 3f2o n VAL 216 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3f2o s TRP 217 N -0.20 3.53 0.08 6.34 -0.11 -1.26 -4.95 118.94 122.36 3f2o s TRP 217 Ca 0.00 0.79 -0.31 0.00 1.22 0.00 0.00 56.10 57.80 3f2o s TRP 217 Cb 0.00 -2.43 -0.07 0.00 -1.50 0.00 0.00 33.47 29.47 3f2o s TRP 217 CO 0.00 0.27 1.38 0.20 -4.62 0.00 0.00 176.95 174.18 3f2o s GLY 218 N 0.30 1.98 -0.98 5.86 0.00 -1.26 -2.41 107.32 110.82 3f2o s GLY 218 Ca 0.22 1.02 0.00 0.00 0.00 0.00 0.00 44.72 45.96 3f2o s GLY 218 CO 0.08 2.37 0.00 1.42 0.00 0.00 0.00 173.10 176.97 3f2o n HIS 219 N 4.38 0.00 -1.96 1.90 8.25 0.15 -4.90 115.22 123.04 3f2o n HIS 219 Ca 0.12 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.19 3f2o n HIS 219 Cb 0.43 -1.90 0.01 0.00 1.12 0.00 0.00 29.99 29.65 3f2o n HIS 219 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f2o s GLU 221 N -2.48 2.19 -0.10 0.00 2.02 -1.26 -1.24 118.70 117.83 3f2o s GLU 221 Ca 0.62 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 55.06 3f2o s GLU 221 Cb -0.39 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.02 3f2o s GLU 221 CO 0.49 -0.03 -0.13 0.42 0.02 0.00 0.00 175.26 176.02 3f2o s ILE 222 N 0.90 1.35 -0.15 -1.63 1.01 -1.00 -4.58 121.20 117.10 3f2o s ILE 222 Ca -0.09 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 3f2o s ILE 222 Cb -0.15 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 3f2o s ILE 222 CO -0.00 0.41 0.10 -0.60 0.00 0.00 0.00 174.94 174.85 3f2o s ARG 223 N 1.06 3.70 -0.12 2.79 3.52 -0.30 -2.14 118.95 127.46 3f2o s ARG 223 Ca -0.06 -0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.32 3f2o s ARG 223 Cb -0.15 -3.20 0.02 0.00 -1.56 0.00 0.00 34.95 30.06 3f2o s ARG 223 CO -0.02 0.53 -0.16 1.41 -0.81 0.00 0.00 175.30 176.25 3f2o s MET 224 N -0.33 2.31 -0.26 5.12 -2.45 -0.65 -1.32 119.30 121.72 3f2o s MET 224 Ca 0.10 -0.59 0.03 0.00 -1.25 0.00 0.00 55.69 53.98 3f2o s MET 224 Cb -0.12 -1.98 0.06 0.00 1.25 0.00 0.00 34.83 34.04 3f2o s MET 224 CO 0.01 -0.09 -0.11 0.50 1.05 0.00 0.00 175.02 176.39 3f2o s ARG 225 N 1.06 2.28 0.17 4.11 3.52 0.49 -4.79 118.95 125.78 3f2o s ARG 225 Ca -0.05 -1.33 -0.30 0.00 -0.13 0.00 0.00 55.73 53.92 3f2o s ARG 225 Cb -0.15 -2.89 -0.08 0.00 -1.56 0.00 0.00 34.95 30.27 3f2o s ARG 225 CO -0.03 -0.56 1.32 -0.47 -0.81 0.00 0.00 175.30 174.75 3f2o s TYR 226 N 1.11 3.27 -0.27 5.12 5.04 -1.26 -0.12 117.35 130.25 3f2o s TYR 226 Ca -0.08 1.16 -0.14 0.00 -2.44 0.00 0.00 57.07 55.57 3f2o s TYR 226 Cb -0.20 -3.61 -0.11 0.00 0.35 0.00 0.00 41.96 38.39 3f2o s TYR 226 CO -0.05 -1.96 -0.35 1.28 -1.34 0.00 0.00 175.55 173.12 3f2o n LEU 227 N 3.06 1.92 -3.63 6.97 4.77 -0.27 -4.59 117.00 125.23 3f2o n LEU 227 Ca 0.08 0.33 -0.03 0.00 -0.03 0.00 0.00 56.01 56.36 3f2o n LEU 227 Cb 0.43 -0.80 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 3f2o n LEU 227 CO 0.58 0.52 0.89 0.20 -1.33 0.00 0.00 177.39 178.25 3f2o s ASN 228 N -7.38 -0.16 0.03 -1.43 0.01 -1.19 -1.08 114.94 103.75 3f2o s ASN 228 Ca -0.38 -0.16 -0.05 0.00 -0.71 0.00 0.00 52.86 51.56 3f2o s ASN 228 Cb 0.14 0.29 -0.01 0.00 0.41 0.00 0.00 41.25 42.08 3f2o s ASN 228 CO 0.48 -0.51 0.09 -0.83 -1.51 0.00 0.00 177.10 174.82 3f2o s GLY 229 N -2.72 0.17 -0.07 0.66 0.00 -1.26 -2.01 107.32 102.10 3f2o s GLY 229 Ca 0.11 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.31 3f2o s GLY 229 CO -0.03 -0.67 -0.09 1.08 0.00 0.00 0.00 173.10 173.39 3f2o s LEU 230 N -2.04 1.44 0.78 0.66 1.43 -0.05 -4.98 118.68 115.91 3f2o s LEU 230 Ca -0.06 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 3f2o s LEU 230 Cb -0.02 -0.71 0.06 0.00 0.03 0.00 0.00 46.19 45.55 3f2o s LEU 230 CO -0.04 -0.03 1.08 -1.81 0.23 0.00 0.00 176.35 175.79 3f2o s ASP 231 N 0.96 4.57 0.68 2.29 1.01 -1.26 -0.51 116.67 124.42 3f2o s ASP 231 Ca -0.10 1.55 -0.15 0.00 0.71 0.00 0.00 52.55 54.56 3f2o s ASP 231 Cb -0.15 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.49 3f2o s ASP 231 CO 0.00 -1.95 1.14 -2.16 0.21 0.00 0.00 175.17 172.41 3f2o s PRO 232 N -5.03 2.56 0.00 8.23 0.04 -1.26 -4.78 135.00 134.76 3f2o s PRO 232 Ca 0.60 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.16 3f2o s PRO 232 Cb -0.16 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3f2o s PRO 232 CO 0.55 -1.46 0.00 0.39 0.04 0.00 0.00 177.00 176.52