#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgw s LYS 2 N 0.00 1.20 -0.21 4.33 1.02 -1.26 -2.45 119.74 122.36 1sgw s LYS 2 Ca 0.00 -0.40 -0.06 0.00 0.02 0.00 0.00 55.97 55.53 1sgw s LYS 2 Cb 0.00 -1.09 -0.03 0.00 -0.52 0.00 0.00 37.83 36.19 1sgw s LYS 2 CO 0.00 0.17 0.02 -1.17 -0.92 0.00 0.00 175.35 173.45 1sgw s LEU 3 N 0.10 3.36 -0.21 3.17 2.96 0.02 -1.17 118.68 126.91 1sgw s LEU 3 Ca -0.02 -0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 1sgw s LEU 3 Cb -0.09 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1sgw s LEU 3 CO 0.01 0.05 0.01 -1.61 -1.32 0.00 0.00 176.35 173.49 1sgw s GLU 4 N 1.10 3.64 -0.19 1.98 0.41 0.34 -0.58 118.70 125.40 1sgw s GLU 4 Ca 0.03 -0.51 -0.04 0.00 -0.41 0.00 0.00 54.97 54.04 1sgw s GLU 4 Cb -0.14 -3.12 -0.02 0.00 -1.78 0.00 0.00 34.13 29.06 1sgw s GLU 4 CO 0.02 -0.01 -0.02 0.42 -0.49 0.00 0.00 175.26 175.18 1sgw s ILE 5 N 1.07 3.80 -0.11 -1.63 1.01 0.39 -0.89 121.20 124.84 1sgw s ILE 5 Ca 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.30 1sgw s ILE 5 Cb -0.14 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.65 1sgw s ILE 5 CO 0.02 0.45 -0.09 -0.13 0.00 0.00 0.00 174.94 175.19 1sgw s ARG 6 N 0.86 1.62 -1.52 2.79 0.52 -0.14 -1.16 118.95 121.92 1sgw s ARG 6 Ca -0.00 -0.30 -0.11 0.00 -0.52 0.00 0.00 55.73 54.80 1sgw s ARG 6 Cb -0.14 -1.62 0.08 0.00 0.52 0.00 0.00 34.95 33.78 1sgw s ARG 6 CO 0.02 -0.24 0.82 -0.25 0.02 0.00 0.00 175.30 175.67 1sgw n ASP 7 N 4.81 -3.26 -4.70 0.23 8.00 -0.88 -1.17 116.55 119.58 1sgw n ASP 7 Ca -0.14 -0.87 -0.42 0.00 0.71 0.00 0.00 54.79 54.07 1sgw n ASP 7 Cb 0.50 -3.53 -0.03 0.00 -0.02 0.00 0.00 41.12 38.04 1sgw n ASP 7 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sgw s LEU 8 N -7.14 4.32 -0.03 0.64 2.96 -0.19 -2.83 118.68 116.40 1sgw s LEU 8 Ca 0.49 1.50 0.05 0.00 -0.22 0.00 0.00 54.13 55.94 1sgw s LEU 8 Cb -0.25 -3.44 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1sgw s LEU 8 CO 0.86 -0.28 -0.17 -0.44 -1.32 0.00 0.00 176.35 175.00 1sgw s SER 9 N 0.99 3.81 0.10 3.68 0.01 -0.46 -2.00 113.70 119.83 1sgw s SER 9 Ca 0.47 -0.27 0.07 0.00 1.31 0.00 0.00 55.95 57.53 1sgw s SER 9 Cb -0.19 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.28 1sgw s SER 9 CO 0.23 0.33 -0.17 0.68 0.41 0.00 0.00 173.24 174.72 1sgw s VAL 10 N -0.73 1.47 -5.00 3.43 -7.23 -0.23 -1.20 120.40 110.92 1sgw s VAL 10 Ca 0.12 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1sgw s VAL 10 Cb -0.10 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 35.40 1sgw s VAL 10 CO 0.01 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 1sgw n GLY 11 N 0.96 -2.70 0.03 2.32 0.00 -1.26 -0.74 105.19 103.79 1sgw n GLY 11 Ca -0.19 -1.32 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 1sgw n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sgw n TYR 12 N 0.50 0.03 -0.13 1.61 4.01 -1.26 -4.76 117.16 117.16 1sgw n TYR 12 Ca 0.00 0.01 -0.28 0.00 -0.16 0.00 0.00 57.90 57.48 1sgw n TYR 12 Cb 0.00 -0.17 -0.10 0.00 -0.31 0.00 0.00 39.34 38.76 1sgw n TYR 12 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1sgw n ASP 13 N -3.06 1.87 -4.55 7.72 9.92 -1.26 -5.02 116.55 122.16 1sgw n ASP 13 Ca -0.04 0.29 -0.26 0.00 -0.53 0.00 0.00 54.79 54.26 1sgw n ASP 13 Cb 0.15 -0.75 -0.09 0.00 -0.64 0.00 0.00 41.12 39.78 1sgw n ASP 13 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1sgw s LYS 14 N -2.48 1.99 0.21 -1.24 3.01 -1.26 -5.12 119.74 114.85 1sgw s LYS 14 Ca -0.37 -1.39 -0.30 0.00 -1.01 0.00 0.00 55.97 52.90 1sgw s LYS 14 Cb 0.14 -2.07 -0.08 0.00 -1.01 0.00 0.00 37.83 34.80 1sgw s LYS 14 CO 0.47 0.40 1.17 -1.25 0.51 0.00 0.00 175.35 176.65 1sgw s PRO 15 N -3.06 4.53 -0.09 -1.68 0.04 -1.26 -4.40 135.00 129.08 1sgw s PRO 15 Ca 0.26 1.85 0.16 0.00 0.04 0.00 0.00 61.00 63.31 1sgw s PRO 15 Cb -0.08 -3.23 -0.23 0.00 0.04 0.00 0.00 34.50 31.00 1sgw s PRO 15 CO 0.15 -0.01 0.21 1.33 0.04 0.00 0.00 177.00 178.73 1sgw n VAL 16 N 2.14 0.56 -4.10 -0.36 0.24 0.08 -4.77 118.33 112.13 1sgw n VAL 16 Ca 0.03 -0.54 -0.15 0.00 -2.04 0.00 0.00 64.34 61.64 1sgw n VAL 16 Cb 0.45 -0.24 -0.14 0.00 -1.47 0.00 0.00 33.84 32.44 1sgw n VAL 16 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1sgw s LEU 17 N -4.70 2.05 0.05 1.34 1.43 -1.19 -2.14 118.68 115.52 1sgw s LEU 17 Ca -0.07 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1sgw s LEU 17 Cb 0.08 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 46.05 1sgw s LEU 17 CO 0.69 0.01 -0.02 -1.83 0.23 0.00 0.00 176.35 175.43 1sgw s GLU 18 N -0.35 0.58 -1.12 1.70 -1.05 -0.48 -1.07 118.70 116.91 1sgw s GLU 18 Ca -0.00 -1.11 -0.03 0.00 -0.15 0.00 0.00 54.97 53.67 1sgw s GLU 18 Cb -0.03 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 1sgw s GLU 18 CO -0.00 -0.11 0.38 0.54 0.95 0.00 0.00 175.26 177.02 1sgw n ARG 19 N 0.33 -3.21 -2.88 -4.83 1.74 -0.85 -4.66 116.66 102.29 1sgw n ARG 19 Ca -0.16 0.65 -0.42 0.00 -0.77 0.00 0.00 57.85 57.15 1sgw n ARG 19 Cb 0.60 -4.96 -0.04 0.00 -1.02 0.00 0.00 32.46 27.04 1sgw n ARG 19 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1sgw s ILE 20 N -2.96 4.68 -0.14 0.55 1.01 -0.86 -4.76 121.20 118.72 1sgw s ILE 20 Ca 0.19 1.10 -0.01 0.00 0.00 0.00 0.00 60.65 61.93 1sgw s ILE 20 Cb -0.08 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.17 1sgw s ILE 20 CO 0.24 -0.43 -0.04 -0.89 0.00 0.00 0.00 174.94 173.82 1sgw s THR 21 N 3.23 0.87 0.11 2.92 2.01 -1.26 -1.02 115.64 122.51 1sgw s THR 21 Ca 0.35 -0.40 -0.18 0.00 0.31 0.00 0.00 61.69 61.76 1sgw s THR 21 Cb -0.13 -1.05 0.04 0.00 0.01 0.00 0.00 72.50 71.37 1sgw s THR 21 CO 0.16 0.16 0.46 0.00 -0.69 0.00 0.00 174.62 174.72 1sgw s MET 22 N 1.74 1.09 -0.23 4.92 0.23 -0.30 -5.00 119.30 121.75 1sgw s MET 22 Ca 0.02 -0.56 -0.03 0.00 -1.03 0.00 0.00 55.69 54.09 1sgw s MET 22 Cb -0.14 0.49 0.00 0.00 -1.53 0.00 0.00 34.83 33.65 1sgw s MET 22 CO -0.07 -0.43 -0.06 0.99 -2.03 0.00 0.00 175.02 173.42 1sgw s THR 23 N -3.47 3.16 -0.20 3.16 2.01 -1.26 -0.46 115.64 118.57 1sgw s THR 23 Ca 0.01 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.28 1sgw s THR 23 Cb 0.01 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 1sgw s THR 23 CO -0.10 0.36 0.00 -0.63 -0.69 0.00 0.00 174.62 173.57 1sgw s ILE 24 N 1.43 3.97 0.09 1.82 1.01 0.25 -4.98 121.20 124.79 1sgw s ILE 24 Ca 0.04 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.45 1sgw s ILE 24 Cb -0.15 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1sgw s ILE 24 CO -0.04 0.42 -0.07 -1.61 0.00 0.00 0.00 174.94 173.64 1sgw s GLU 25 N 1.05 2.27 0.31 2.79 8.01 -1.26 -0.80 118.70 131.06 1sgw s GLU 25 Ca 0.02 -0.95 -0.30 0.00 0.01 0.00 0.00 54.97 53.75 1sgw s GLU 25 Cb -0.14 -2.38 -0.11 0.00 -4.31 0.00 0.00 34.13 27.18 1sgw s GLU 25 CO 0.02 0.52 1.59 0.21 0.01 0.00 0.00 175.26 177.61 1sgw s LYS 26 N -2.17 4.11 0.00 1.61 2.47 -1.03 -2.31 119.74 122.43 1sgw s LYS 26 Ca 0.22 2.60 0.00 0.00 -1.56 0.00 0.00 55.97 57.23 1sgw s LYS 26 Cb -0.11 -3.01 0.00 0.00 -1.46 0.00 0.00 37.83 33.25 1sgw s LYS 26 CO 0.14 -0.63 0.00 0.41 0.16 0.00 0.00 175.35 175.43 1sgw n GLY 27 N 1.93 1.71 3.02 5.54 0.00 -1.14 -4.97 105.19 111.27 1sgw n GLY 27 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1sgw n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sgw s ASN 28 N -2.18 4.74 0.26 1.61 0.01 -0.98 -4.97 114.94 113.44 1sgw s ASN 28 Ca 0.00 -2.61 -0.31 0.00 -0.71 0.00 0.00 52.86 49.23 1sgw s ASN 28 Cb 0.00 -1.70 -0.12 0.00 0.41 0.00 0.00 41.25 39.84 1sgw s ASN 28 CO 0.00 -0.34 1.65 0.52 -1.51 0.00 0.00 177.10 177.42 1sgw n VAL 29 N 3.70 0.62 -4.01 1.60 0.31 -1.26 -4.54 118.33 114.75 1sgw n VAL 29 Ca 0.04 -0.15 -0.35 0.00 -0.01 0.00 0.00 64.34 63.87 1sgw n VAL 29 Cb 0.37 -1.98 -0.12 0.00 -0.91 0.00 0.00 33.84 31.20 1sgw n VAL 29 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1sgw s VAL 30 N 0.47 4.05 -0.38 2.52 1.01 -0.46 -1.32 120.40 126.28 1sgw s VAL 30 Ca 0.68 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 1sgw s VAL 30 Cb -0.50 -2.84 0.06 0.00 0.00 0.00 0.00 36.38 33.10 1sgw s VAL 30 CO 0.42 0.41 0.19 0.21 0.00 0.00 0.00 175.10 176.34 1sgw s ASN 31 N 1.09 5.51 -0.22 3.32 2.47 0.15 -0.57 114.94 126.69 1sgw s ASN 31 Ca 0.03 -1.35 -0.25 0.00 0.42 0.00 0.00 52.86 51.71 1sgw s ASN 31 Cb -0.14 -1.94 -0.01 0.00 -1.45 0.00 0.00 41.25 37.71 1sgw s ASN 31 CO 0.02 -0.44 0.83 -0.36 -3.72 0.00 0.00 177.10 173.43 1sgw s PHE 32 N 1.41 3.35 0.11 0.43 0.08 -0.29 -0.85 117.98 122.23 1sgw s PHE 32 Ca 0.01 1.18 0.04 0.00 0.12 0.00 0.00 56.93 58.29 1sgw s PHE 32 Cb -0.21 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.16 1sgw s PHE 32 CO 0.02 -0.34 -0.10 -3.38 -0.10 0.00 0.00 175.22 171.32 1sgw s HIS 33 N 2.59 1.14 0.00 0.36 -3.43 -0.38 -2.06 115.29 113.51 1sgw s HIS 33 Ca 0.36 -0.67 0.00 0.00 -0.80 0.00 0.00 55.06 53.95 1sgw s HIS 33 Cb -0.16 -0.61 0.00 0.00 -1.43 0.00 0.00 32.58 30.38 1sgw s HIS 33 CO 0.09 0.03 0.00 0.41 -2.00 0.00 0.00 174.74 173.27 1sgw n GLY 34 N 0.39 0.23 3.77 -1.38 0.00 -0.79 -1.15 105.19 106.26 1sgw n GLY 34 Ca -0.15 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 1sgw n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sgw s PRO 35 N -1.98 3.89 0.10 1.61 0.04 -1.26 -4.09 135.00 133.30 1sgw s PRO 35 Ca 0.00 1.84 -0.36 0.00 0.04 0.00 0.00 61.00 62.52 1sgw s PRO 35 Cb 0.00 -2.55 -0.16 0.00 0.04 0.00 0.00 34.50 31.83 1sgw s PRO 35 CO 0.00 -0.46 1.39 0.09 0.04 0.00 0.00 177.00 178.06 1sgw n ASN 36 N -0.21 1.94 0.00 6.66 4.13 -1.26 -1.75 115.26 124.77 1sgw n ASN 36 Ca 0.06 1.11 0.00 0.00 1.68 0.00 0.00 54.58 57.43 1sgw n ASN 36 Cb 0.47 -1.24 0.00 0.00 -1.54 0.00 0.00 39.78 37.47 1sgw n ASN 36 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sgw n GLY 37 N 2.70 2.10 0.12 7.41 0.00 -1.26 -4.96 105.19 111.30 1sgw n GLY 37 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1sgw n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1sgw n ILE 38 N -1.20 0.73 0.00 -0.61 3.06 -0.72 -4.89 119.36 115.73 1sgw n ILE 38 Ca 0.00 0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 1sgw n ILE 38 Cb 0.00 -0.92 0.00 0.00 0.54 0.00 0.00 39.64 39.26 1sgw n ILE 38 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1sgw n GLY 39 N 0.56 1.42 0.27 4.50 0.00 -1.26 -4.76 105.19 105.92 1sgw n GLY 39 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1sgw n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sgw h LYS 40 N 0.69 -0.29 -0.54 1.61 1.57 -1.90 0.74 116.57 118.46 1sgw h LYS 40 Ca 0.00 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1sgw h LYS 40 Cb 0.00 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1sgw h LYS 40 CO 0.00 -0.19 0.31 1.15 -0.57 0.00 0.00 179.45 180.15 1sgw h THR 41 N -0.30 1.17 -0.55 -0.16 2.02 -1.98 -0.36 112.91 112.75 1sgw h THR 41 Ca 0.10 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.89 1sgw h THR 41 Cb 0.45 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1sgw h THR 41 CO -0.30 0.18 0.35 0.74 0.37 0.00 0.00 175.52 176.86 1sgw h THR 42 N 0.72 1.12 -0.16 3.16 2.02 -1.91 0.15 112.91 118.01 1sgw h THR 42 Ca 0.19 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1sgw h THR 42 Cb 0.01 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1sgw h THR 42 CO -0.03 0.13 0.07 0.25 0.37 0.00 0.00 175.52 176.31 1sgw h LEU 43 N 0.72 0.21 -0.86 2.58 5.85 -0.59 -1.50 115.31 121.71 1sgw h LEU 43 Ca 0.21 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 1sgw h LEU 43 Cb -0.05 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1sgw h LEU 43 CO -0.06 0.30 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.87 1sgw h LEU 44 N 0.12 0.37 -1.19 2.25 4.07 -0.70 -0.79 115.31 119.42 1sgw h LEU 44 Ca 0.05 -0.15 -0.08 0.00 0.08 0.00 0.00 57.88 57.78 1sgw h LEU 44 Cb 0.14 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1sgw h LEU 44 CO -0.01 0.73 -0.36 0.11 -1.08 0.00 0.00 178.44 177.83 1sgw h LYS 45 N 0.29 0.00 -0.05 1.13 1.57 -0.60 -1.49 116.57 117.42 1sgw h LYS 45 Ca 0.03 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1sgw h LYS 45 Cb 0.83 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.15 1sgw h LYS 45 CO 0.07 0.36 -0.35 1.15 -0.57 0.00 0.00 179.45 180.11 1sgw h THR 46 N 0.00 1.44 -0.74 -0.16 2.02 -0.45 -0.38 112.91 114.64 1sgw h THR 46 Ca -0.00 -1.80 0.09 0.00 0.77 0.00 0.00 66.41 65.47 1sgw h THR 46 Cb 0.74 2.41 -0.05 0.00 -1.74 0.00 0.00 68.15 69.51 1sgw h THR 46 CO 0.05 0.52 0.48 0.40 0.37 0.00 0.00 175.52 177.34 1sgw h ILE 47 N -0.19 0.95 -0.02 3.11 2.04 -1.10 -2.10 117.51 120.21 1sgw h ILE 47 Ca -0.03 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1sgw h ILE 47 Cb 1.02 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1sgw h ILE 47 CO 0.07 0.12 0.00 -1.20 0.00 0.00 0.00 178.15 177.14 1sgw n SER 48 N -4.49 0.38 0.00 1.72 7.64 -0.57 -4.92 113.62 113.38 1sgw n SER 48 Ca 0.12 -1.30 0.00 0.00 1.01 0.00 0.00 58.87 58.70 1sgw n SER 48 Cb 0.32 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1sgw n SER 48 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1sgw n THR 49 N -0.63 0.00 0.01 0.44 -2.24 -0.79 -4.92 114.28 106.16 1sgw n THR 49 Ca 0.19 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.92 1sgw n THR 49 Cb 0.15 -0.09 0.16 0.00 -2.10 0.00 0.00 70.33 68.44 1sgw n THR 49 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1sgw h TYR 50 N 0.00 0.58 -3.86 4.78 0.05 -1.31 -3.43 116.97 113.78 1sgw h TYR 50 Ca 0.00 -0.14 -0.68 0.00 0.05 0.00 0.00 58.73 57.95 1sgw h TYR 50 Cb 0.00 -0.14 -0.23 0.00 1.01 0.00 0.00 36.73 37.37 1sgw h TYR 50 CO 0.00 0.77 -0.76 -0.51 -1.05 0.00 0.00 178.16 176.61 1sgw s LEU 51 N -8.58 2.78 0.22 3.88 1.02 -1.00 -5.00 118.68 112.00 1sgw s LEU 51 Ca -0.07 -0.20 -0.30 0.00 0.02 0.00 0.00 54.13 53.58 1sgw s LEU 51 Cb 0.13 -1.58 -0.09 0.00 0.02 0.00 0.00 46.19 44.68 1sgw s LEU 51 CO 0.80 0.31 1.12 -0.75 0.02 0.00 0.00 176.35 177.86 1sgw s LYS 52 N -0.54 4.59 0.55 1.70 2.20 -1.26 -4.40 119.74 122.58 1sgw s LYS 52 Ca 0.07 1.78 -0.22 0.00 -0.36 0.00 0.00 55.97 57.25 1sgw s LYS 52 Cb -0.12 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 1sgw s LYS 52 CO 0.02 0.10 1.33 -2.30 -0.36 0.00 0.00 175.35 174.13 1sgw n PRO 53 N 1.90 1.62 0.08 4.03 -0.02 -1.26 -4.73 135.00 136.63 1sgw n PRO 53 Ca 0.01 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 62.07 1sgw n PRO 53 Cb 0.45 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 1sgw n PRO 53 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1sgw h LEU 54 N 1.36 0.00 -7.20 2.45 3.38 -1.45 -3.47 115.31 110.38 1sgw h LEU 54 Ca -0.50 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 1sgw h LEU 54 Cb 1.31 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.89 1sgw h LEU 54 CO 0.57 0.72 0.03 -0.54 0.09 0.00 0.00 178.44 179.31 1sgw s LYS 55 N -2.84 1.00 1.14 1.13 1.02 -1.17 -4.93 119.74 115.09 1sgw s LYS 55 Ca 0.01 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.87 1sgw s LYS 55 Cb 0.09 0.46 0.00 0.00 -0.52 0.00 0.00 37.83 37.85 1sgw s LYS 55 CO 0.79 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.28 1sgw n GLY 56 N 0.61 -1.98 3.25 -3.33 0.00 -1.13 -1.36 105.19 101.25 1sgw n GLY 56 Ca -0.19 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 1sgw n GLY 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sgw s GLU 57 N 0.00 0.82 -0.13 1.61 -1.05 -0.32 -4.92 118.70 114.71 1sgw s GLU 57 Ca 0.00 -0.51 -0.01 0.00 -0.15 0.00 0.00 54.97 54.30 1sgw s GLU 57 Cb 0.00 0.35 0.03 0.00 -0.44 0.00 0.00 34.13 34.08 1sgw s GLU 57 CO 0.00 -0.26 -0.04 0.42 0.95 0.00 0.00 175.26 176.32 1sgw s ILE 58 N -2.59 0.86 -0.10 1.83 1.01 -1.26 -0.97 121.20 119.98 1sgw s ILE 58 Ca -0.05 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1sgw s ILE 58 Cb -0.01 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.48 1sgw s ILE 58 CO -0.04 0.22 -0.13 -0.63 0.00 0.00 0.00 174.94 174.36 1sgw s ILE 59 N 1.76 1.32 -0.27 2.92 -1.09 -0.07 -1.71 121.20 124.06 1sgw s ILE 59 Ca 0.03 -0.53 -0.06 0.00 -2.23 0.00 0.00 60.65 57.86 1sgw s ILE 59 Cb -0.14 -1.22 0.00 0.00 -1.58 0.00 0.00 42.46 39.52 1sgw s ILE 59 CO -0.07 0.40 0.04 -0.47 -1.23 0.00 0.00 174.94 173.61 1sgw s TYR 60 N 1.04 3.10 -1.58 3.97 5.04 0.98 -0.50 117.35 129.39 1sgw s TYR 60 Ca -0.07 -0.96 -0.11 0.00 -2.44 0.00 0.00 57.07 53.50 1sgw s TYR 60 Cb -0.15 -2.20 0.09 0.00 0.35 0.00 0.00 41.96 40.05 1sgw s TYR 60 CO -0.01 -0.56 0.62 0.09 -1.34 0.00 0.00 175.55 174.34 1sgw n ASN 61 N 4.84 -2.03 0.00 4.32 3.02 -0.32 -1.13 115.26 123.96 1sgw n ASN 61 Ca -0.16 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1sgw n ASN 61 Cb 0.49 -2.84 0.00 0.00 -0.61 0.00 0.00 39.78 36.82 1sgw n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sgw n GLY 62 N -1.69 0.89 3.27 7.41 0.00 -1.26 -5.03 105.19 108.78 1sgw n GLY 62 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1sgw n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sgw s VAL 63 N -3.56 2.08 0.21 1.61 1.01 -0.28 -5.09 120.40 116.38 1sgw s VAL 63 Ca 0.00 -1.06 -0.32 0.00 0.00 0.00 0.00 61.98 60.61 1sgw s VAL 63 Cb 0.00 -1.75 -0.15 0.00 0.00 0.00 0.00 36.38 34.48 1sgw s VAL 63 CO 0.00 0.57 1.23 -2.65 0.00 0.00 0.00 175.10 174.25 1sgw n PRO 64 N 2.98 1.50 0.10 2.72 -0.02 -1.26 -0.01 135.00 141.00 1sgw n PRO 64 Ca -0.18 0.53 0.16 0.00 -2.02 0.00 0.00 63.50 62.00 1sgw n PRO 64 Cb 0.52 -2.07 0.69 0.00 -0.02 0.00 0.00 33.50 32.62 1sgw n PRO 64 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1sgw h ILE 65 N 2.71 0.79 0.00 4.25 6.09 -1.69 -0.40 117.51 129.27 1sgw h ILE 65 Ca -0.43 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 1sgw h ILE 65 Cb 1.32 0.83 0.00 0.00 0.47 0.00 0.00 36.82 39.43 1sgw h ILE 65 CO 0.71 0.00 0.00 0.71 -3.07 0.00 0.00 178.15 176.50 1sgw h THR 66 N 0.00 0.00 -0.01 2.19 1.35 -1.88 -1.54 112.91 113.01 1sgw h THR 66 Ca 0.16 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1sgw h THR 66 Cb 0.65 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1sgw h THR 66 CO -0.00 0.00 -0.09 0.29 -0.25 0.00 0.00 175.52 175.47 1sgw n LYS 67 N -2.35 1.27 -1.73 4.72 5.02 -0.16 -4.16 118.16 120.76 1sgw n LYS 67 Ca 0.02 -0.69 -0.06 0.00 -2.02 0.00 0.00 58.31 55.56 1sgw n LYS 67 Cb 0.23 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.83 1sgw n LYS 67 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1sgw n VAL 68 N -0.26 1.71 -0.21 -0.18 0.24 -0.58 -4.86 118.33 114.18 1sgw n VAL 68 Ca 0.17 -3.09 0.12 0.00 -2.04 0.00 0.00 64.34 59.49 1sgw n VAL 68 Cb 0.33 0.03 0.41 0.00 -1.47 0.00 0.00 33.84 33.15 1sgw n VAL 68 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1sgw h LYS 69 N 1.75 0.60 0.00 7.34 1.57 -1.72 -1.25 116.57 124.86 1sgw h LYS 69 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1sgw h LYS 69 Cb 1.40 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1sgw h LYS 69 CO 0.31 0.39 0.00 0.41 -0.57 0.00 0.00 179.45 179.99 1sgw n GLY 70 N -1.47 -1.13 0.74 3.86 0.00 -1.26 -2.02 105.19 103.91 1sgw n GLY 70 Ca 0.15 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.43 1sgw n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sgw n LYS 71 N -2.28 2.01 -4.39 1.61 5.02 -0.47 -4.83 118.16 114.83 1sgw n LYS 71 Ca 0.01 -1.48 -0.34 0.00 -2.02 0.00 0.00 58.31 54.48 1sgw n LYS 71 Cb 0.16 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.59 1sgw n LYS 71 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sgw s ILE 72 N -1.91 4.05 -0.18 -0.18 1.01 -0.86 -0.62 121.20 122.51 1sgw s ILE 72 Ca 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1sgw s ILE 72 Cb 0.20 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.94 1sgw s ILE 72 CO 0.31 0.53 -0.17 0.12 0.00 0.00 0.00 174.94 175.74 1sgw s PHE 73 N -0.10 2.80 -0.14 3.97 5.36 0.42 -4.98 117.98 125.31 1sgw s PHE 73 Ca 0.03 -1.38 -0.00 0.00 -0.96 0.00 0.00 56.93 54.61 1sgw s PHE 73 Cb -0.13 -1.93 -0.01 0.00 -0.34 0.00 0.00 43.02 40.61 1sgw s PHE 73 CO 0.02 -0.68 -0.12 0.12 -1.46 0.00 0.00 175.22 173.10 1sgw s PHE 74 N 1.18 2.82 -0.25 10.12 5.36 -1.26 -0.56 117.98 135.40 1sgw s PHE 74 Ca 0.02 -0.74 -0.04 0.00 -0.96 0.00 0.00 56.93 55.21 1sgw s PHE 74 Cb -0.14 -1.88 0.01 0.00 -0.34 0.00 0.00 43.02 40.67 1sgw s PHE 74 CO -0.08 -0.29 -0.02 -1.17 -1.46 0.00 0.00 175.22 172.20 1sgw s LEU 75 N 0.55 3.23 0.86 6.12 2.96 0.08 -4.99 118.68 127.49 1sgw s LEU 75 Ca -0.08 -0.64 -0.12 0.00 -0.22 0.00 0.00 54.13 53.07 1sgw s LEU 75 Cb -0.16 -1.75 0.11 0.00 0.50 0.00 0.00 46.19 44.89 1sgw s LEU 75 CO 0.04 -0.10 1.13 -2.16 -1.32 0.00 0.00 176.35 173.93 1sgw s PRO 76 N 1.43 1.59 0.38 0.98 0.04 -1.26 -0.82 135.00 137.34 1sgw s PRO 76 Ca 0.03 0.38 0.19 0.00 0.04 0.00 0.00 61.00 61.64 1sgw s PRO 76 Cb -0.16 -1.88 0.73 0.00 0.04 0.00 0.00 34.50 33.23 1sgw s PRO 76 CO -0.02 -1.90 1.76 1.05 0.04 0.00 0.00 177.00 177.93 1sgw h GLU 77 N -1.29 0.00 -7.19 4.56 4.11 -1.88 -3.43 114.58 109.46 1sgw h GLU 77 Ca -0.49 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 58.45 1sgw h GLU 77 Cb 1.31 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.62 1sgw h GLU 77 CO 0.62 0.36 0.38 -1.83 0.07 0.00 0.00 179.01 178.61 1sgw s GLU 78 N -3.70 3.34 -0.45 1.06 1.03 -1.26 -4.95 118.70 113.76 1sgw s GLU 78 Ca -0.00 1.21 -0.03 0.00 0.03 0.00 0.00 54.97 56.17 1sgw s GLU 78 Cb 0.11 -2.03 0.12 0.00 -0.80 0.00 0.00 34.13 31.53 1sgw s GLU 78 CO 0.68 -0.80 0.26 0.42 -1.33 0.00 0.00 175.26 174.49 1sgw s ILE 79 N -2.44 3.43 -0.15 1.83 1.01 -1.26 -5.05 121.20 118.57 1sgw s ILE 79 Ca 0.64 -2.20 -0.01 0.00 0.00 0.00 0.00 60.65 59.08 1sgw s ILE 79 Cb -0.16 -3.32 0.04 0.00 0.01 0.00 0.00 42.46 39.03 1sgw s ILE 79 CO 0.36 -0.73 -0.04 -0.63 0.00 0.00 0.00 174.94 173.90 1sgw s ILE 80 N 0.94 0.94 0.06 2.92 -1.09 -1.26 -5.12 121.20 118.59 1sgw s ILE 80 Ca 0.10 -0.49 -0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1sgw s ILE 80 Cb -0.23 -1.13 -0.04 0.00 -1.58 0.00 0.00 42.46 39.48 1sgw s ILE 80 CO -0.04 0.13 -0.04 0.68 -1.23 0.00 0.00 174.94 174.45 1sgw s VAL 81 N 1.71 0.34 -0.01 2.92 -7.23 -1.26 -5.12 120.40 111.75 1sgw s VAL 81 Ca 0.02 -1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 1sgw s VAL 81 Cb -0.15 -1.39 -0.05 0.00 0.56 0.00 0.00 36.38 35.35 1sgw s VAL 81 CO -0.07 -0.89 1.43 -2.84 -0.31 0.00 0.00 175.10 172.41 1sgw s PRO 82 N -3.55 4.26 0.34 4.82 0.02 -1.26 -4.92 135.00 134.72 1sgw s PRO 82 Ca 0.05 1.99 0.24 0.00 0.02 0.00 0.00 61.00 63.30 1sgw s PRO 82 Cb 0.05 -3.63 0.45 0.00 0.02 0.00 0.00 34.50 31.39 1sgw s PRO 82 CO -0.07 -0.62 1.60 0.00 -0.33 0.00 0.00 177.00 177.58 1sgw h ARG 83 N 8.04 0.00 -0.02 5.54 3.08 -1.99 -3.23 114.38 125.80 1sgw h ARG 83 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1sgw h ARG 83 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1sgw h ARG 83 CO 0.91 0.00 -0.03 1.63 -1.07 0.00 0.00 179.97 181.42 1sgw n LYS 84 N -2.79 1.96 -3.36 0.04 5.02 -1.26 -0.96 118.16 116.81 1sgw n LYS 84 Ca 0.04 -1.44 -0.35 0.00 -2.02 0.00 0.00 58.31 54.54 1sgw n LYS 84 Cb 0.50 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 1sgw n LYS 84 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1sgw s ILE 85 N -2.04 4.86 0.73 -0.18 2.07 -1.22 -4.87 121.20 120.56 1sgw s ILE 85 Ca 0.32 0.80 -0.11 0.00 -1.41 0.00 0.00 60.65 60.25 1sgw s ILE 85 Cb 0.20 -3.73 0.03 0.00 0.13 0.00 0.00 42.46 39.10 1sgw s ILE 85 CO 0.33 0.22 1.07 -0.94 -1.91 0.00 0.00 174.94 173.72 1sgw s SER 86 N -1.77 5.10 0.16 4.50 1.04 -1.26 -0.95 113.70 120.52 1sgw s SER 86 Ca 0.39 1.45 -0.19 0.00 0.48 0.00 0.00 55.95 58.07 1sgw s SER 86 Cb -0.15 -2.28 0.07 0.00 0.10 0.00 0.00 66.02 63.77 1sgw s SER 86 CO 0.19 -1.60 1.65 0.58 0.98 0.00 0.00 173.24 175.04 1sgw h VAL 87 N -0.83 0.48 -0.43 5.02 2.07 -1.18 0.19 116.25 121.57 1sgw h VAL 87 Ca -0.45 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 1sgw h VAL 87 Cb 1.23 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1sgw h VAL 87 CO 0.59 0.00 -0.09 1.05 0.02 0.00 0.00 177.57 179.13 1sgw h GLU 88 N -0.12 0.75 -0.26 1.57 4.11 -1.39 -2.11 114.58 117.13 1sgw h GLU 88 Ca 0.17 -0.24 -0.14 0.00 0.07 0.00 0.00 59.36 59.22 1sgw h GLU 88 Cb 0.39 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1sgw h GLU 88 CO -0.42 0.82 -0.43 -0.44 0.07 0.00 0.00 179.01 178.62 1sgw h ASP 89 N 0.68 0.69 -0.23 3.06 3.32 -1.75 -0.49 116.42 121.71 1sgw h ASP 89 Ca 0.12 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1sgw h ASP 89 Cb 0.56 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1sgw h ASP 89 CO 0.03 1.03 0.15 0.22 -1.72 0.00 0.00 179.24 178.95 1sgw h TYR 90 N 0.52 0.29 -0.74 4.55 3.20 -0.75 -0.16 116.97 123.89 1sgw h TYR 90 Ca 0.04 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1sgw h TYR 90 Cb 0.95 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 1sgw h TYR 90 CO 0.04 0.19 0.36 -0.07 -1.64 0.00 0.00 178.16 177.04 1sgw h LEU 91 N 0.31 0.96 -0.81 2.82 4.07 -1.14 0.12 115.31 121.64 1sgw h LEU 91 Ca 0.08 -0.13 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 1sgw h LEU 91 Cb -0.03 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.42 1sgw h LEU 91 CO -0.02 0.82 0.35 0.50 -1.08 0.00 0.00 178.44 179.02 1sgw h LYS 92 N 1.04 1.19 -0.24 1.13 3.64 -0.89 -1.69 116.57 120.74 1sgw h LYS 92 Ca 0.26 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1sgw h LYS 92 Cb 0.11 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1sgw h LYS 92 CO -0.03 0.94 -0.09 0.00 -2.27 0.00 0.00 179.45 178.00 1sgw h ALA 93 N 1.19 0.34 -0.29 5.00 0.00 -0.44 -0.64 119.26 124.41 1sgw h ALA 93 Ca 0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sgw h ALA 93 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1sgw h ALA 93 CO -0.03 0.17 0.17 0.28 0.00 0.00 0.00 179.25 179.84 1sgw h VAL 94 N 0.22 1.12 -0.88 0.00 2.07 -0.91 -2.24 116.25 115.62 1sgw h VAL 94 Ca 0.06 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1sgw h VAL 94 Cb 0.57 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1sgw h VAL 94 CO 0.03 0.12 0.58 0.00 0.02 0.00 0.00 177.57 178.32 1sgw h ALA 95 N 1.05 1.48 0.00 1.67 0.00 -1.18 -1.96 119.26 120.32 1sgw h ALA 95 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1sgw h ALA 95 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1sgw h ALA 95 CO -0.02 0.42 -0.20 1.03 0.00 0.00 0.00 179.25 180.48 1sgw h SER 96 N 1.06 0.00 0.05 0.00 0.87 -0.63 -1.10 113.55 113.80 1sgw h SER 96 Ca 0.36 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1sgw h SER 96 Cb 0.09 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1sgw h SER 96 CO -0.12 0.20 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.29 1sgw h LEU 97 N 0.00 0.00 -2.83 2.23 3.38 -0.78 -0.19 115.31 117.12 1sgw h LEU 97 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sgw h LEU 97 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1sgw h LEU 97 CO 0.03 0.02 0.00 -1.22 0.09 0.00 0.00 178.44 177.35 1sgw n TYR 98 N -3.81 1.13 -1.31 1.13 4.01 -0.51 -4.94 117.16 112.87 1sgw n TYR 98 Ca -0.03 -0.53 -0.11 0.00 -0.16 0.00 0.00 57.90 57.08 1sgw n TYR 98 Cb 0.10 -0.07 -0.05 0.00 -0.31 0.00 0.00 39.34 39.02 1sgw n TYR 98 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sgw n GLY 99 N 1.55 1.20 3.74 2.72 0.00 -0.08 -4.81 105.19 109.50 1sgw n GLY 99 Ca 0.25 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1sgw n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sgw s VAL 100 N -2.37 5.40 -0.25 1.61 1.01 -0.67 -4.97 120.40 120.16 1sgw s VAL 100 Ca 0.00 0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.13 1sgw s VAL 100 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1sgw s VAL 100 CO 0.00 0.45 0.14 -0.54 0.00 0.00 0.00 175.10 175.15 1sgw s LYS 101 N 0.26 3.92 0.01 2.72 3.01 -1.26 -3.14 119.74 125.26 1sgw s LYS 101 Ca 0.10 -0.34 0.05 0.00 -1.01 0.00 0.00 55.97 54.76 1sgw s LYS 101 Cb -0.11 -3.51 -0.03 0.00 -1.01 0.00 0.00 37.83 33.17 1sgw s LYS 101 CO -0.01 -0.07 -0.13 0.14 0.51 0.00 0.00 175.35 175.79 1sgw s VAL 102 N 1.40 3.19 0.58 3.17 -7.23 -1.26 -5.12 120.40 115.14 1sgw s VAL 102 Ca 0.07 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 1sgw s VAL 102 Cb -0.15 -2.34 0.04 0.00 0.56 0.00 0.00 36.38 34.49 1sgw s VAL 102 CO 0.07 0.42 0.81 0.54 -0.31 0.00 0.00 175.10 176.63 1sgw s ASN 103 N -1.27 5.19 0.54 4.85 2.20 -1.26 -4.96 114.94 120.23 1sgw s ASN 103 Ca 0.15 0.05 0.30 0.00 -0.94 0.00 0.00 52.86 52.41 1sgw s ASN 103 Cb -0.11 -0.89 1.56 0.00 -2.00 0.00 0.00 41.25 39.81 1sgw s ASN 103 CO 0.05 -1.23 2.10 0.11 -2.94 0.00 0.00 177.10 175.20 1sgw h LYS 104 N -0.04 0.00 -0.09 3.55 1.57 -2.00 -2.07 116.57 117.49 1sgw h LYS 104 Ca -0.42 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.13 1sgw h LYS 104 Cb 1.30 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.62 1sgw h LYS 104 CO 0.53 0.09 -0.85 -0.97 -0.57 0.00 0.00 179.45 177.68 1sgw h ASN 105 N 0.00 0.80 -0.32 0.86 -0.73 -1.99 -1.26 115.58 112.94 1sgw h ASN 105 Ca -0.00 -0.56 -0.08 0.00 1.87 0.00 0.00 56.30 57.53 1sgw h ASN 105 Cb 0.30 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.63 1sgw h ASN 105 CO 0.01 1.35 -0.06 -0.33 -0.37 0.00 0.00 177.43 178.03 1sgw h GLU 106 N 0.42 0.71 -0.17 6.67 5.08 -1.88 -1.40 114.58 124.00 1sgw h GLU 106 Ca -0.07 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1sgw h GLU 106 Cb 1.47 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1sgw h GLU 106 CO 0.16 0.76 0.08 0.82 -1.00 0.00 0.00 179.01 179.83 1sgw h ILE 107 N 0.65 1.15 -0.64 3.13 2.04 -1.34 -2.63 117.51 119.87 1sgw h ILE 107 Ca 0.12 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 1sgw h ILE 107 Cb 0.49 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1sgw h ILE 107 CO 0.03 0.14 0.14 -0.03 0.00 0.00 0.00 178.15 178.42 1sgw h MET 108 N 0.14 1.03 -0.76 2.37 4.05 -1.07 -1.34 114.93 119.35 1sgw h MET 108 Ca 0.06 -0.24 0.07 0.00 -0.28 0.00 0.00 59.70 59.30 1sgw h MET 108 Cb 0.15 -0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 30.75 1sgw h MET 108 CO -0.01 0.92 0.44 -0.44 0.23 0.00 0.00 176.91 178.06 1sgw h ASP 109 N 0.97 0.67 -0.41 1.39 3.32 -1.18 0.29 116.42 121.47 1sgw h ASP 109 Ca 0.20 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 1sgw h ASP 109 Cb 0.37 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1sgw h ASP 109 CO 0.00 0.42 0.01 0.00 -1.72 0.00 0.00 179.24 177.95 1sgw h ALA 110 N 1.39 0.55 -0.35 3.45 0.00 -1.05 -2.75 119.26 120.51 1sgw h ALA 110 Ca 0.34 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1sgw h ALA 110 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1sgw h ALA 110 CO -0.19 0.33 -0.13 -0.07 0.00 0.00 0.00 179.25 179.19 1sgw h LEU 111 N 0.56 0.60 -1.36 0.00 3.38 -0.90 -2.37 115.31 115.21 1sgw h LEU 111 Ca 0.12 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1sgw h LEU 111 Cb 0.47 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1sgw h LEU 111 CO 0.02 0.76 0.48 -0.08 0.09 0.00 0.00 178.44 179.71 1sgw h GLU 112 N 0.56 0.75 0.00 1.13 4.81 -0.22 -1.48 114.58 120.13 1sgw h GLU 112 Ca 0.10 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1sgw h GLU 112 Cb 0.56 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1sgw h GLU 112 CO 0.04 0.50 -0.03 0.77 -0.73 0.00 0.00 179.01 179.56 1sgw h SER 113 N 0.78 0.00 -0.13 1.04 0.02 -1.13 -2.22 113.55 111.89 1sgw h SER 113 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1sgw h SER 113 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1sgw h SER 113 CO -0.11 0.03 0.00 1.33 -1.14 0.00 0.00 176.83 176.94 1sgw n VAL 114 N -3.20 1.41 -3.70 2.27 0.24 -0.81 -4.78 118.33 109.76 1sgw n VAL 114 Ca -0.01 -1.42 -0.24 0.00 -2.04 0.00 0.00 64.34 60.62 1sgw n VAL 114 Cb 0.21 0.21 0.05 0.00 -1.47 0.00 0.00 33.84 32.84 1sgw n VAL 114 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sgw n GLU 115 N -0.44 -6.27 -4.40 7.34 1.02 -0.64 -4.99 120.64 112.27 1sgw n GLU 115 Ca 0.10 0.71 -0.34 0.00 -0.02 0.00 0.00 57.16 57.61 1sgw n GLU 115 Cb 0.49 -5.59 -0.12 0.00 -0.02 0.00 0.00 31.44 26.19 1sgw n GLU 115 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sgw s VAL 116 N -3.40 3.83 -0.23 2.62 1.01 -0.70 -5.03 120.40 118.49 1sgw s VAL 116 Ca 0.39 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 1sgw s VAL 116 Cb -0.18 -2.68 -0.13 0.00 0.00 0.00 0.00 36.38 33.39 1sgw s VAL 116 CO 0.78 0.49 -0.24 -0.11 0.00 0.00 0.00 175.10 176.02 1sgw n LEU 117 N 3.59 2.48 -4.47 3.92 7.94 -1.26 -4.23 117.00 124.97 1sgw n LEU 117 Ca -0.17 0.04 -0.43 0.00 -1.11 0.00 0.00 56.01 54.33 1sgw n LEU 117 Cb 0.52 -0.75 -0.04 0.00 0.53 0.00 0.00 43.42 43.69 1sgw n LEU 117 CO 0.33 0.73 0.72 -0.62 -1.11 0.00 0.00 177.39 177.43 1sgw s ASP 118 N -6.53 6.22 0.53 1.96 -1.08 -1.26 -4.87 116.67 111.64 1sgw s ASP 118 Ca -0.31 -0.83 0.31 0.00 -0.52 0.00 0.00 52.55 51.20 1sgw s ASP 118 Cb 0.10 -2.41 1.43 0.00 -1.46 0.00 0.00 42.92 40.57 1sgw s ASP 118 CO 0.47 -1.34 2.03 -0.07 0.52 0.00 0.00 175.17 176.78 1sgw h LEU 119 N 11.11 0.00 0.00 -1.34 4.07 -1.97 -3.27 115.31 123.91 1sgw h LEU 119 Ca -0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1sgw h LEU 119 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1sgw h LEU 119 CO 1.14 0.10 -0.82 0.11 -1.08 0.00 0.00 178.44 177.89 1sgw h LYS 120 N 0.00 0.00 -6.87 1.13 1.57 -1.96 -0.48 116.57 109.96 1sgw h LYS 120 Ca -0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1sgw h LYS 120 Cb 0.44 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.78 1sgw h LYS 120 CO 0.01 0.00 0.50 0.21 -0.57 0.00 0.00 179.45 179.61 1sgw s LYS 121 N -3.25 4.41 0.32 3.15 2.20 -1.24 -4.63 119.74 120.71 1sgw s LYS 121 Ca 0.03 1.86 -0.27 0.00 -0.36 0.00 0.00 55.97 57.23 1sgw s LYS 121 Cb 0.12 -2.99 -0.09 0.00 -1.51 0.00 0.00 37.83 33.36 1sgw s LYS 121 CO 0.76 -0.02 1.06 0.15 -0.36 0.00 0.00 175.35 176.94 1sgw s LYS 122 N -1.81 4.49 0.44 4.03 1.02 -1.26 -1.46 119.74 125.19 1sgw s LYS 122 Ca 0.49 1.65 0.11 0.00 0.02 0.00 0.00 55.97 58.24 1sgw s LYS 122 Cb -0.32 -2.95 0.99 0.00 -0.52 0.00 0.00 37.83 35.03 1sgw s LYS 122 CO 0.41 0.12 2.06 -0.07 -0.92 0.00 0.00 175.35 176.95 1sgw h LEU 123 N 3.35 0.35 0.00 3.17 3.38 -1.09 -0.95 115.31 123.51 1sgw h LEU 123 Ca -0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1sgw h LEU 123 Cb 1.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1sgw h LEU 123 CO 0.65 0.24 0.00 0.61 0.09 0.00 0.00 178.44 180.04 1sgw n GLY 124 N -1.50 -0.75 0.82 0.83 0.00 -0.14 -1.43 105.19 103.02 1sgw n GLY 124 Ca 0.04 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1sgw n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sgw n GLU 125 N -1.46 2.04 -4.01 1.61 1.02 -0.36 -4.97 120.64 114.52 1sgw n GLU 125 Ca 0.02 -1.65 -0.23 0.00 -0.02 0.00 0.00 57.16 55.28 1sgw n GLU 125 Cb 0.09 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 1sgw n GLU 125 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sgw s LEU 126 N -2.10 4.16 0.77 -4.62 1.43 -0.52 -5.04 118.68 112.76 1sgw s LEU 126 Ca 0.27 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 1sgw s LEU 126 Cb 0.20 -2.72 0.05 0.00 0.03 0.00 0.00 46.19 43.75 1sgw s LEU 126 CO 0.36 -0.02 1.08 -0.94 0.23 0.00 0.00 176.35 177.06 1sgw s SER 127 N -3.66 4.62 0.27 2.29 1.04 -1.26 -4.84 113.70 112.15 1sgw s SER 127 Ca 0.34 1.71 -0.04 0.00 0.48 0.00 0.00 55.95 58.43 1sgw s SER 127 Cb -0.09 -2.45 0.34 0.00 0.10 0.00 0.00 66.02 63.91 1sgw s SER 127 CO 0.27 -1.95 1.93 1.56 0.98 0.00 0.00 173.24 176.03 1sgw h GLN 128 N -1.07 1.18 -0.68 4.02 1.08 -1.96 -0.29 115.11 117.40 1sgw h GLN 128 Ca -0.44 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 56.63 1sgw h GLN 128 Cb 1.23 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 28.38 1sgw h GLN 128 CO 0.53 0.81 0.31 0.78 -0.95 0.00 0.00 178.83 180.31 1sgw h GLY 129 N 1.21 1.06 0.98 3.46 0.00 -1.88 -0.13 103.07 107.77 1sgw h GLY 129 Ca 0.32 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1sgw h GLY 129 CO -0.06 0.51 0.12 -0.84 0.00 0.00 0.00 176.54 176.27 1sgw h THR 130 N 0.95 1.24 -0.65 4.70 2.02 -1.77 -1.15 112.91 118.24 1sgw h THR 130 Ca 0.23 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1sgw h THR 130 Cb 0.15 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1sgw h THR 130 CO -0.03 0.31 0.42 0.40 0.37 0.00 0.00 175.52 176.99 1sgw h ILE 131 N 0.71 1.18 -0.76 3.11 2.04 -0.81 -1.56 117.51 121.41 1sgw h ILE 131 Ca 0.16 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1sgw h ILE 131 Cb 0.34 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1sgw h ILE 131 CO 0.00 0.18 0.38 -0.09 0.00 0.00 0.00 178.15 178.62 1sgw h ARG 132 N 0.89 1.08 -0.75 2.37 9.65 -0.74 -0.18 114.38 126.70 1sgw h ARG 132 Ca 0.24 -0.14 0.05 0.00 -1.10 0.00 0.00 59.98 59.03 1sgw h ARG 132 Cb -0.07 -0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 28.25 1sgw h ARG 132 CO -0.05 0.82 0.45 0.00 2.80 0.00 0.00 179.97 183.99 1sgw h ARG 133 N 1.08 0.82 -0.67 0.20 3.08 -0.73 0.58 114.38 118.74 1sgw h ARG 133 Ca 0.27 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.19 1sgw h ARG 133 Cb 0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1sgw h ARG 133 CO -0.04 0.54 0.11 0.28 -1.07 0.00 0.00 179.97 179.80 1sgw h VAL 134 N 0.85 1.26 -0.84 2.04 2.07 -0.28 -0.53 116.25 120.81 1sgw h VAL 134 Ca 0.32 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1sgw h VAL 134 Cb 0.12 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1sgw h VAL 134 CO -0.15 0.39 0.40 1.56 0.02 0.00 0.00 177.57 179.79 1sgw h GLN 135 N 1.03 1.22 -0.44 1.57 4.20 -0.51 -0.59 115.11 121.59 1sgw h GLN 135 Ca 0.20 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1sgw h GLN 135 Cb 0.43 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1sgw h GLN 135 CO 0.01 0.93 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.98 1sgw h LEU 136 N 1.21 0.74 -1.24 1.46 3.38 -0.34 -2.19 115.31 118.32 1sgw h LEU 136 Ca 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1sgw h LEU 136 Cb 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1sgw h LEU 136 CO -0.04 0.84 0.36 0.00 0.09 0.00 0.00 178.44 179.70 1sgw h ALA 137 N 1.23 1.43 -0.20 1.53 0.00 -0.39 -2.18 119.26 120.68 1sgw h ALA 137 Ca 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1sgw h ALA 137 Cb 0.52 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sgw h ALA 137 CO 0.03 0.48 0.05 0.66 0.00 0.00 0.00 179.25 180.47 1sgw h SER 138 N 0.89 0.25 0.26 0.00 4.64 -0.48 -1.40 113.55 117.71 1sgw h SER 138 Ca 0.23 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1sgw h SER 138 Cb 0.01 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1sgw h SER 138 CO -0.04 0.26 -0.05 0.71 -0.87 0.00 0.00 176.83 176.84 1sgw h THR 139 N 0.28 0.38 0.00 2.95 1.35 -1.22 -2.45 112.91 114.20 1sgw h THR 139 Ca 0.07 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1sgw h THR 139 Cb 0.11 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1sgw h THR 139 CO -0.00 0.05 0.00 0.18 -0.25 0.00 0.00 175.52 175.50 1sgw n LEU 140 N -3.52 0.00 -0.05 3.87 4.77 -0.53 -3.88 117.00 117.67 1sgw n LEU 140 Ca -0.02 0.46 0.07 0.00 -0.03 0.00 0.00 56.01 56.49 1sgw n LEU 140 Cb 0.17 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.72 1sgw n LEU 140 CO 0.27 -0.01 0.01 0.18 -1.33 0.00 0.00 177.39 176.50 1sgw n LEU 141 N -1.46 0.84 -4.96 2.23 4.77 -0.92 -5.00 117.00 112.50 1sgw n LEU 141 Ca 0.08 -0.54 -0.22 0.00 -0.03 0.00 0.00 56.01 55.30 1sgw n LEU 141 Cb 0.31 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1sgw n LEU 141 CO 0.26 0.20 0.25 0.68 -1.33 0.00 0.00 177.39 177.44 1sgw s VAL 142 N -2.34 3.96 -0.29 4.08 -7.23 -1.25 -4.88 120.40 112.44 1sgw s VAL 142 Ca 0.07 -0.58 0.11 0.00 -1.81 0.00 0.00 61.98 59.77 1sgw s VAL 142 Cb 0.12 -3.45 0.77 0.00 0.56 0.00 0.00 36.38 34.38 1sgw s VAL 142 CO 0.59 -0.29 1.78 -0.46 -0.31 0.00 0.00 175.10 176.41 1sgw n ASN 143 N -2.02 5.13 -4.73 4.85 6.94 -1.26 -5.00 115.26 119.18 1sgw n ASN 143 Ca 0.01 -3.13 -0.35 0.00 -0.02 0.00 0.00 54.58 51.10 1sgw n ASN 143 Cb 0.58 -0.72 0.08 0.00 -2.36 0.00 0.00 39.78 37.35 1sgw n ASN 143 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1sgw s ALA 144 N -2.92 2.25 -0.39 -2.53 0.00 -1.26 -4.97 121.76 111.95 1sgw s ALA 144 Ca 0.55 0.94 0.15 0.00 0.00 0.00 0.00 51.96 53.60 1sgw s ALA 144 Cb 0.43 -3.47 -0.20 0.00 0.00 0.00 0.00 23.12 19.88 1sgw s ALA 144 CO 0.14 -1.67 0.49 0.39 0.00 0.00 0.00 175.76 175.11 1sgw n GLU 145 N -2.37 1.35 -3.90 0.00 1.02 0.21 -4.71 120.64 112.23 1sgw n GLU 145 Ca 0.14 -0.06 -0.26 0.00 -0.02 0.00 0.00 57.16 56.96 1sgw n GLU 145 Cb 0.50 -1.28 -0.17 0.00 -0.02 0.00 0.00 31.44 30.47 1sgw n GLU 145 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1sgw s ILE 146 N -2.71 0.85 -0.20 -3.67 1.01 -0.44 -0.63 121.20 115.41 1sgw s ILE 146 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 1sgw s ILE 146 Cb 0.11 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 1sgw s ILE 146 CO 0.62 0.34 -0.06 -0.31 0.00 0.00 0.00 174.94 175.53 1sgw s TYR 147 N 1.72 2.94 -0.22 3.97 2.02 0.35 -0.44 117.35 127.70 1sgw s TYR 147 Ca 0.04 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 55.88 1sgw s TYR 147 Cb -0.13 -2.05 0.06 0.00 -0.40 0.00 0.00 41.96 39.44 1sgw s TYR 147 CO -0.07 -0.46 -0.05 0.08 -1.57 0.00 0.00 175.55 173.48 1sgw s VAL 148 N 1.21 1.39 -0.26 0.71 1.01 0.28 -1.07 120.40 123.67 1sgw s VAL 148 Ca 0.02 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1sgw s VAL 148 Cb -0.14 -1.65 0.06 0.00 0.00 0.00 0.00 36.38 34.65 1sgw s VAL 148 CO -0.02 -0.05 -0.11 -0.76 0.00 0.00 0.00 175.10 174.17 1sgw s LEU 149 N 1.47 3.35 -0.35 3.92 1.43 0.18 -0.74 118.68 127.95 1sgw s LEU 149 Ca -0.04 -1.37 -0.23 0.00 -1.03 0.00 0.00 54.13 51.46 1sgw s LEU 149 Cb -0.18 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1sgw s LEU 149 CO -0.07 -0.19 0.79 -0.62 0.23 0.00 0.00 176.35 176.49 1sgw s ASP 150 N 1.13 6.59 -1.12 2.29 2.15 -0.00 -1.91 116.67 125.79 1sgw s ASP 150 Ca -0.09 0.45 -0.18 0.00 0.43 0.00 0.00 52.55 53.17 1sgw s ASP 150 Cb -0.20 -2.40 -0.02 0.00 -0.30 0.00 0.00 42.92 40.00 1sgw s ASP 150 CO -0.05 -0.70 0.82 -0.67 -0.17 0.00 0.00 175.17 174.39 1sgw n ASP 151 N 6.37 -5.54 -0.29 -0.34 -0.08 -1.15 -3.17 116.55 112.35 1sgw n ASP 151 Ca 0.03 -0.95 0.11 0.00 -1.51 0.00 0.00 54.79 52.47 1sgw n ASP 151 Cb 0.48 -3.76 0.35 0.00 2.34 0.00 0.00 41.12 40.54 1sgw n ASP 151 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1sgw h PRO 152 N -1.73 0.72 -0.48 -0.67 0.13 -1.75 -2.23 132.00 126.00 1sgw h PRO 152 Ca -0.65 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.29 1sgw h PRO 152 Cb 1.35 -0.16 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 1sgw h PRO 152 CO 0.47 0.48 0.10 1.33 -0.23 0.00 0.00 178.00 180.15 1sgw n VAL 153 N -4.59 2.62 -1.51 1.56 0.24 -1.26 -4.93 118.33 110.46 1sgw n VAL 153 Ca 0.18 -2.05 -0.45 0.00 -2.04 0.00 0.00 64.34 59.98 1sgw n VAL 153 Cb 0.47 -0.32 -0.02 0.00 -1.47 0.00 0.00 33.84 32.50 1sgw n VAL 153 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1sgw n VAL 154 N -0.60 1.98 0.00 3.34 3.14 -0.84 -2.30 118.33 123.05 1sgw n VAL 154 Ca 0.33 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1sgw n VAL 154 Cb 1.13 -0.63 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 1sgw n VAL 154 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1sgw n ALA 155 N 0.04 0.00 -1.88 1.55 0.00 -1.26 -4.81 120.51 114.15 1sgw n ALA 155 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.16 1sgw n ALA 155 Cb 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.68 1sgw n ALA 155 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sgw s ILE 156 N -1.32 3.75 0.07 0.00 1.01 -0.97 -3.76 121.20 119.98 1sgw s ILE 156 Ca 0.00 1.65 -0.37 0.00 0.00 0.00 0.00 60.65 61.93 1sgw s ILE 156 Cb 0.00 -4.05 -0.18 0.00 0.01 0.00 0.00 42.46 38.24 1sgw s ILE 156 CO 0.00 0.35 1.23 -0.90 0.00 0.00 0.00 174.94 175.62 1sgw n ASP 157 N 1.72 1.06 -0.28 3.58 3.85 -1.26 -4.68 116.55 120.54 1sgw n ASP 157 Ca 0.00 1.13 0.08 0.00 -0.71 0.00 0.00 54.79 55.29 1sgw n ASP 157 Cb 0.46 -1.11 0.23 0.00 -1.35 0.00 0.00 41.12 39.35 1sgw n ASP 157 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1sgw h GLU 158 N 3.90 0.45 0.00 0.11 4.57 -1.96 0.21 114.58 121.86 1sgw h GLU 158 Ca -0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1sgw h GLU 158 Cb 1.37 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1sgw h GLU 158 CO 0.73 0.30 0.00 -0.25 -1.18 0.00 0.00 179.01 178.60 1sgw n ASP 159 N -4.99 0.00 -0.00 1.04 8.00 -1.26 -3.04 116.55 116.30 1sgw n ASP 159 Ca 0.17 -0.47 0.02 0.00 0.71 0.00 0.00 54.79 55.22 1sgw n ASP 159 Cb 0.48 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 1sgw n ASP 159 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sgw n SER 160 N -1.11 0.41 -0.02 -2.24 7.64 0.64 -4.81 113.62 114.13 1sgw n SER 160 Ca 0.15 -0.57 -0.09 0.00 1.01 0.00 0.00 58.87 59.37 1sgw n SER 160 Cb 0.12 1.01 -0.02 0.00 -1.01 0.00 0.00 64.21 64.30 1sgw n SER 160 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1sgw h LYS 161 N 0.00 -0.18 -0.45 1.43 1.57 -1.20 -2.45 116.57 115.29 1sgw h LYS 161 Ca 0.00 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1sgw h LYS 161 Cb 0.11 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1sgw h LYS 161 CO 0.00 -0.12 -0.25 0.45 -0.57 0.00 0.00 179.45 178.96 1sgw h HIS 162 N -0.18 1.12 -0.51 -1.35 3.86 -1.87 -1.19 115.15 115.02 1sgw h HIS 162 Ca 0.11 -0.28 0.05 0.00 -1.16 0.00 0.00 60.37 59.09 1sgw h HIS 162 Cb 0.35 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.51 1sgw h HIS 162 CO -0.30 1.10 0.24 -0.22 0.86 0.00 0.00 177.93 179.61 1sgw h LYS 163 N 0.82 0.45 -0.15 2.45 3.64 -1.85 -0.06 116.57 121.88 1sgw h LYS 163 Ca 0.10 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1sgw h LYS 163 Cb 0.83 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1sgw h LYS 163 CO 0.07 0.30 -0.12 0.28 -2.27 0.00 0.00 179.45 177.71 1sgw h VAL 164 N 0.46 1.34 -0.53 2.00 2.07 -1.27 -2.08 116.25 118.24 1sgw h VAL 164 Ca 0.23 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1sgw h VAL 164 Cb 0.17 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1sgw h VAL 164 CO -0.18 0.37 0.20 0.25 0.02 0.00 0.00 177.57 178.23 1sgw h LEU 165 N -0.02 0.74 -0.81 2.57 5.85 -1.07 -1.72 115.31 120.85 1sgw h LEU 165 Ca 0.03 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1sgw h LEU 165 Cb 0.64 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1sgw h LEU 165 CO 0.03 0.72 0.52 0.11 -0.34 0.00 0.00 178.44 179.48 1sgw h LYS 166 N 0.72 1.08 -0.58 1.25 1.57 -0.98 -0.38 116.57 119.25 1sgw h LYS 166 Ca 0.18 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1sgw h LYS 166 Cb 0.21 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1sgw h LYS 166 CO -0.01 0.73 0.38 1.03 -0.57 0.00 0.00 179.45 181.00 1sgw h SER 167 N 1.10 0.64 -0.09 0.86 0.87 -0.91 -1.45 113.55 114.58 1sgw h SER 167 Ca 0.30 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1sgw h SER 167 Cb -0.10 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1sgw h SER 167 CO -0.06 0.46 -0.03 0.40 -0.53 0.00 0.00 176.83 177.07 1sgw h ILE 168 N 0.76 1.30 -0.48 2.23 1.08 -0.94 -3.12 117.51 118.34 1sgw h ILE 168 Ca 0.22 -0.97 -0.03 0.00 -0.39 0.00 0.00 64.86 63.69 1sgw h ILE 168 Cb -0.05 1.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 1sgw h ILE 168 CO -0.07 0.27 0.17 -0.07 -0.69 0.00 0.00 178.15 177.76 1sgw h LEU 169 N -0.17 0.63 -1.21 1.44 3.38 -0.98 -0.29 115.31 118.11 1sgw h LEU 169 Ca 0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1sgw h LEU 169 Cb 0.44 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1sgw h LEU 169 CO 0.01 0.59 0.22 -0.33 0.09 0.00 0.00 178.44 179.01 1sgw h GLU 170 N 0.68 0.77 0.00 1.13 3.07 -1.23 -0.94 114.58 118.07 1sgw h GLU 170 Ca 0.16 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1sgw h GLU 170 Cb 0.17 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1sgw h GLU 170 CO -0.01 0.63 -0.02 0.82 -1.40 0.00 0.00 179.01 179.02 1sgw h ILE 171 N 0.76 1.72 -0.40 3.13 2.04 -1.34 -3.36 117.51 120.05 1sgw h ILE 171 Ca 0.18 -2.13 -0.05 0.00 1.00 0.00 0.00 64.86 63.86 1sgw h ILE 171 Cb 0.15 3.16 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 1sgw h ILE 171 CO -0.02 0.56 0.05 -0.07 0.00 0.00 0.00 178.15 178.66 1sgw h LEU 172 N -0.88 0.58 -0.97 1.44 3.38 -0.96 -2.64 115.31 115.26 1sgw h LEU 172 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1sgw h LEU 172 Cb 0.92 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1sgw h LEU 172 CO 0.00 0.62 0.00 0.07 0.09 0.00 0.00 178.44 179.23 1sgw h LYS 173 N 0.60 0.00 0.00 1.13 2.10 -1.33 -0.22 116.57 118.85 1sgw h LYS 173 Ca 0.13 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.77 1sgw h LYS 173 Cb 0.31 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1sgw h LYS 173 CO 0.01 0.00 -0.03 0.93 -2.00 0.00 0.00 179.45 178.36 1sgw h GLU 174 N 0.00 0.00 0.00 0.07 3.07 -1.62 -3.02 114.58 113.08 1sgw h GLU 174 Ca 0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.63 1sgw h GLU 174 Cb 0.43 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 1sgw h GLU 174 CO 0.00 0.03 -2.02 1.63 -1.40 0.00 0.00 179.01 177.25 1sgw n LYS 175 N -3.11 0.66 -1.05 2.33 5.02 -0.17 -5.00 118.16 116.84 1sgw n LYS 175 Ca 0.04 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1sgw n LYS 175 Cb 0.53 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1sgw n LYS 175 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sgw n GLY 176 N 1.53 0.76 3.74 0.72 0.00 -0.75 -4.71 105.19 106.48 1sgw n GLY 176 Ca -0.19 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 1sgw n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgw s ILE 177 N -2.12 4.21 -0.11 -0.61 1.01 0.20 -3.66 121.20 120.12 1sgw s ILE 177 Ca 0.00 2.00 0.02 0.00 0.00 0.00 0.00 60.65 62.66 1sgw s ILE 177 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 38.21 1sgw s ILE 177 CO 0.00 0.38 -0.16 -0.69 0.00 0.00 0.00 174.94 174.48 1sgw s VAL 178 N -0.53 1.51 -0.09 2.92 1.01 -1.26 -0.49 120.40 123.46 1sgw s VAL 178 Ca 0.45 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1sgw s VAL 178 Cb -0.25 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1sgw s VAL 178 CO 0.32 0.44 -0.16 -0.63 0.00 0.00 0.00 175.10 175.07 1sgw s ILE 179 N 0.95 1.50 0.29 2.22 1.01 -0.24 -1.36 121.20 125.57 1sgw s ILE 179 Ca -0.07 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1sgw s ILE 179 Cb -0.15 -1.35 -0.06 0.00 0.01 0.00 0.00 42.46 40.91 1sgw s ILE 179 CO -0.01 0.44 0.02 0.27 0.00 0.00 0.00 174.94 175.66 1sgw s ILE 180 N 0.76 1.20 0.11 2.92 -4.36 0.26 -0.65 121.20 121.44 1sgw s ILE 180 Ca -0.12 -2.03 0.08 0.00 -0.26 0.00 0.00 60.65 58.32 1sgw s ILE 180 Cb -0.16 -2.59 -0.04 0.00 1.25 0.00 0.00 42.46 40.93 1sgw s ILE 180 CO 0.02 -0.15 -0.21 -0.94 0.24 0.00 0.00 174.94 173.90 1sgw s SER 181 N -3.42 2.58 0.36 4.36 1.04 -0.80 -1.14 113.70 116.68 1sgw s SER 181 Ca 0.33 -0.71 -0.12 0.00 0.48 0.00 0.00 55.95 55.93 1sgw s SER 181 Cb 0.07 -0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.09 1sgw s SER 181 CO 0.13 0.05 0.68 -1.54 0.98 0.00 0.00 173.24 173.54 1sgw n SER 182 N 0.97 -1.98 -0.51 7.02 3.41 -0.87 -2.94 113.62 118.71 1sgw n SER 182 Ca -0.19 -2.54 0.12 0.00 -0.26 0.00 0.00 58.87 56.01 1sgw n SER 182 Cb 0.54 3.35 0.19 0.00 -0.26 0.00 0.00 64.21 68.03 1sgw n SER 182 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sgw n ARG 183 N -0.51 1.38 -3.72 4.33 1.74 -1.26 -1.88 116.66 116.74 1sgw n ARG 183 Ca -0.07 -1.03 -0.11 0.00 -0.77 0.00 0.00 57.85 55.88 1sgw n ARG 183 Cb 0.55 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 1sgw n ARG 183 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1sgw s GLU 184 N -2.33 0.93 0.53 5.56 -1.05 -1.26 -4.18 118.70 116.90 1sgw s GLU 184 Ca 0.24 -0.68 -0.21 0.00 -0.15 0.00 0.00 54.97 54.18 1sgw s GLU 184 Cb 0.19 0.40 -0.05 0.00 -0.44 0.00 0.00 34.13 34.23 1sgw s GLU 184 CO 0.48 -0.33 1.23 -2.00 0.95 0.00 0.00 175.26 175.59 1sgw s GLU 185 N -3.35 3.32 -0.13 -4.83 2.12 -1.26 -4.86 118.70 109.71 1sgw s GLU 185 Ca 0.00 1.91 0.02 0.00 0.36 0.00 0.00 54.97 57.27 1sgw s GLU 185 Cb 0.02 -2.19 0.01 0.00 0.26 0.00 0.00 34.13 32.22 1sgw s GLU 185 CO -0.09 -0.95 -0.18 -0.51 -0.54 0.00 0.00 175.26 172.99 1sgw s LEU 186 N -3.53 1.89 0.46 2.70 1.43 -1.26 -5.02 118.68 115.35 1sgw s LEU 186 Ca 0.71 -0.51 0.11 0.00 -1.03 0.00 0.00 54.13 53.41 1sgw s LEU 186 Cb -0.32 -1.25 1.03 0.00 0.03 0.00 0.00 46.19 45.67 1sgw s LEU 186 CO 0.37 0.04 2.09 0.77 0.23 0.00 0.00 176.35 179.85 1sgw h SER 187 N 7.44 0.25 -0.09 2.29 4.64 -2.02 -2.15 113.55 123.91 1sgw h SER 187 Ca -0.33 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1sgw h SER 187 Cb 1.18 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1sgw h SER 187 CO 0.52 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.68 1sgw n TYR 188 N -4.49 0.10 -3.62 4.77 0.18 -1.26 -4.80 117.16 108.05 1sgw n TYR 188 Ca 0.00 -0.05 -0.37 0.00 1.88 0.00 0.00 57.90 59.36 1sgw n TYR 188 Cb 0.09 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.98 1sgw n TYR 188 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1sgw h ASP 190 N 5.57 1.01 -3.28 0.00 5.19 -1.82 -3.41 116.42 119.67 1sgw h ASP 190 Ca -0.48 -0.17 -0.54 0.00 -0.62 0.00 0.00 57.03 55.22 1sgw h ASP 190 Cb 1.20 -0.26 -0.35 0.00 0.18 0.00 0.00 39.33 40.10 1sgw h ASP 190 CO 0.66 0.92 -0.81 -0.69 -3.12 0.00 0.00 179.24 176.20 1sgw s VAL 191 N -5.41 1.18 -0.21 -1.35 1.01 -0.43 -4.99 120.40 110.20 1sgw s VAL 191 Ca -0.12 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1sgw s VAL 191 Cb 0.15 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1sgw s VAL 191 CO 0.83 0.38 -0.06 0.20 0.00 0.00 0.00 175.10 176.45 1sgw s ASN 192 N 1.17 4.21 -0.32 3.32 0.01 -1.26 -0.67 114.94 121.39 1sgw s ASN 192 Ca -0.04 -0.40 -0.01 0.00 -0.71 0.00 0.00 52.86 51.69 1sgw s ASN 192 Cb -0.14 -1.71 0.07 0.00 0.41 0.00 0.00 41.25 39.87 1sgw s ASN 192 CO -0.03 -0.00 0.03 -1.61 -1.51 0.00 0.00 177.10 173.99 1sgw s GLU 193 N 1.36 2.26 -0.15 -0.60 0.41 -0.03 -4.98 118.70 116.97 1sgw s GLU 193 Ca 0.04 -1.43 -0.29 0.00 -0.41 0.00 0.00 54.97 52.89 1sgw s GLU 193 Cb -0.14 -3.24 -0.03 0.00 -1.78 0.00 0.00 34.13 28.94 1sgw s GLU 193 CO -0.03 -0.73 1.50 1.21 -0.49 0.00 0.00 175.26 176.72 1sgw s ASN 194 N 1.32 6.68 0.18 -0.19 3.84 -1.26 -1.25 114.94 124.26 1sgw s ASN 194 Ca -0.02 1.83 0.22 0.00 0.21 0.00 0.00 52.86 55.10 1sgw s ASN 194 Cb -0.20 -2.53 0.89 0.00 -0.55 0.00 0.00 41.25 38.85 1sgw s ASN 194 CO -0.02 -0.97 1.66 0.18 -2.79 0.00 0.00 177.10 175.16 1sgw n LEU 195 N 7.35 0.49 -0.01 3.21 4.77 -0.30 -2.56 117.00 129.95 1sgw n LEU 195 Ca 0.16 0.61 0.19 0.00 -0.03 0.00 0.00 56.01 56.94 1sgw n LEU 195 Cb 0.44 -0.53 0.66 0.00 -2.33 0.00 0.00 43.42 41.66 1sgw n LEU 195 CO 0.61 -0.43 1.18 0.45 -1.33 0.00 0.00 177.39 177.87 1sgw h HIS 196 N 0.00 0.08 -0.09 -1.77 3.86 -1.91 -1.13 115.15 114.19 1sgw h HIS 196 Ca 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1sgw h HIS 196 Cb 0.37 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 1sgw h HIS 196 CO 0.00 0.03 0.10 0.87 0.86 0.00 0.00 177.93 179.80 1sgw h LYS 197 N 0.07 0.00 -0.00 2.45 1.57 -1.91 -2.99 116.57 115.76 1sgw h LYS 197 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1sgw h LYS 197 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1sgw h LYS 197 CO -0.02 0.00 -0.03 0.66 -0.57 0.00 0.00 179.45 179.49 1sgw n TYR 198 N -3.83 0.00 -2.41 -1.35 4.01 -0.46 -5.02 117.16 108.10 1sgw n TYR 198 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1sgw n TYR 198 Cb 0.20 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.20 1sgw n TYR 198 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sgw s SER 199 N -0.47 7.15 0.00 7.72 0.15 -0.98 -1.38 113.70 125.89 1sgw s SER 199 Ca 0.03 2.29 0.25 0.00 0.70 0.00 0.00 55.95 59.22 1sgw s SER 199 Cb 0.03 -2.62 1.51 0.00 -1.71 0.00 0.00 66.02 63.23 1sgw s SER 199 CO 0.06 -0.27 1.87 0.41 1.20 0.00 0.00 173.24 176.51