#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k32 s ASP 5 N 0.00 1.96 -0.03 -1.43 1.11 -1.26 -4.85 116.67 112.17 3k32 s ASP 5 Ca 0.00 -0.56 -0.02 0.00 0.18 0.00 0.00 52.55 52.15 3k32 s ASP 5 Cb 0.00 -0.11 0.01 0.00 1.07 0.00 0.00 42.92 43.89 3k32 s ASP 5 CO 0.00 0.02 0.07 0.54 1.18 0.00 0.00 175.17 176.99 3k32 s VAL 6 N -1.03 0.00 -0.24 -1.27 0.11 -0.56 -4.78 120.40 112.63 3k32 s VAL 6 Ca 0.02 -0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.97 3k32 s VAL 6 Cb -0.09 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 3k32 s VAL 6 CO 0.02 -0.01 0.11 -1.00 -3.33 0.00 0.00 175.10 170.89 3k32 s HIS 7 N 0.00 3.17 -0.21 1.54 3.76 -0.22 -0.08 115.29 123.26 3k32 s HIS 7 Ca -0.00 -0.13 -0.03 0.00 -0.15 0.00 0.00 55.06 54.74 3k32 s HIS 7 Cb -0.01 -2.24 -0.01 0.00 1.11 0.00 0.00 32.58 31.43 3k32 s HIS 7 CO 0.00 -0.17 -0.05 0.08 -0.85 0.00 0.00 174.74 173.75 3k32 s VAL 8 N 1.35 3.34 -0.06 -0.90 1.01 -0.84 -0.48 120.40 123.82 3k32 s VAL 8 Ca 0.06 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 3k32 s VAL 8 Cb -0.15 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3k32 s VAL 8 CO 0.05 0.44 1.61 -0.76 0.00 0.00 0.00 175.10 176.44 3k32 s LEU 9 N 1.34 4.31 -0.04 3.92 1.43 0.53 -0.45 118.68 129.72 3k32 s LEU 9 Ca 0.04 2.18 0.01 0.00 -1.03 0.00 0.00 54.13 55.33 3k32 s LEU 9 Cb -0.14 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.56 3k32 s LEU 9 CO -0.03 -0.90 -0.04 0.12 0.23 0.00 0.00 176.35 175.73 3k32 s PHE 10 N 3.93 0.72 -0.15 0.29 5.36 0.86 -4.08 117.98 124.90 3k32 s PHE 10 Ca 0.71 -0.19 0.13 0.00 -0.96 0.00 0.00 56.93 56.62 3k32 s PHE 10 Cb -0.32 -0.65 -0.19 0.00 -0.34 0.00 0.00 43.02 41.51 3k32 s PHE 10 CO 0.28 -0.19 0.35 -1.13 -1.46 0.00 0.00 175.22 173.07 3k32 n SER 11 N 4.09 1.67 0.00 6.13 3.41 -1.26 -4.36 113.62 123.30 3k32 n SER 11 Ca -0.24 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 3k32 n SER 11 Cb 0.51 1.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.92 3k32 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k32 n GLY 12 N 1.65 2.63 3.62 5.00 0.00 -1.26 -4.10 105.19 112.73 3k32 n GLY 12 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3k32 n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k32 s GLY 13 N -2.22 1.55 0.04 -0.02 0.00 -1.26 -4.69 107.32 100.73 3k32 s GLY 13 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 44.72 44.17 3k32 s GLY 13 CO 0.00 0.24 1.17 1.70 0.00 0.00 0.00 173.10 176.20 3k32 h LYS 14 N -2.19 -0.07 0.08 2.90 3.64 -1.97 0.11 116.57 119.07 3k32 h LYS 14 Ca -0.54 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.85 3k32 h LYS 14 Cb 1.33 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 3k32 h LYS 14 CO 0.53 -0.05 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.12 3k32 h ASP 15 N -0.08 -0.26 -0.86 4.20 3.32 -1.95 0.68 116.42 121.47 3k32 h ASP 15 Ca 0.03 0.03 0.21 0.00 0.02 0.00 0.00 57.03 57.33 3k32 h ASP 15 Cb 0.16 0.10 -0.13 0.00 0.22 0.00 0.00 39.33 39.68 3k32 h ASP 15 CO -0.22 -0.15 0.31 -1.28 -1.72 0.00 0.00 179.24 176.18 3k32 h SER 16 N -0.21 0.19 -0.52 6.45 0.87 -1.85 0.21 113.55 118.69 3k32 h SER 16 Ca 0.01 0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3k32 h SER 16 Cb 0.21 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3k32 h SER 16 CO -0.04 -0.05 0.14 0.28 -0.53 0.00 0.00 176.83 176.63 3k32 h SER 17 N 0.33 0.78 -0.88 6.23 0.02 0.66 -2.88 113.55 117.80 3k32 h SER 17 Ca 0.53 -0.22 0.06 0.00 -0.84 0.00 0.00 61.79 61.32 3k32 h SER 17 Cb 1.01 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.29 3k32 h SER 17 CO -0.56 0.80 0.58 -0.07 -1.14 0.00 0.00 176.83 176.44 3k32 h LEU 18 N 0.73 0.89 -0.71 5.07 3.38 0.11 -1.31 115.31 123.47 3k32 h LEU 18 Ca 0.17 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3k32 h LEU 18 Cb 0.31 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3k32 h LEU 18 CO -0.00 0.58 0.08 0.77 0.09 0.00 0.00 178.44 179.95 3k32 h SER 19 N 1.01 1.02 -0.04 -0.43 4.64 -1.18 0.56 113.55 119.13 3k32 h SER 19 Ca 0.38 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3k32 h SER 19 Cb 0.18 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3k32 h SER 19 CO -0.14 1.03 0.02 0.00 -0.87 0.00 0.00 176.83 176.88 3k32 h ALA 20 N 1.08 0.06 -0.54 5.18 0.00 -1.34 -2.18 119.26 121.52 3k32 h ALA 20 Ca 0.19 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3k32 h ALA 20 Cb 0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3k32 h ALA 20 CO 0.02 -0.39 0.02 0.28 0.00 0.00 0.00 179.25 179.18 3k32 h VAL 21 N -0.04 1.26 0.12 0.00 2.07 -0.85 -1.13 116.25 117.68 3k32 h VAL 21 Ca 0.02 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 3k32 h VAL 21 Cb 0.11 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3k32 h VAL 21 CO -0.00 0.38 -0.07 0.40 0.02 0.00 0.00 177.57 178.30 3k32 h ILE 22 N 0.81 0.86 -0.63 4.57 2.04 0.10 0.13 117.51 125.39 3k32 h ILE 22 Ca 0.16 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.11 3k32 h ILE 22 Cb 0.50 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 3k32 h ILE 22 CO 0.02 0.00 0.24 -0.07 0.00 0.00 0.00 178.15 178.35 3k32 h LEU 23 N -0.17 0.24 -0.96 1.44 -0.00 -1.19 -0.47 115.31 114.21 3k32 h LEU 23 Ca -0.01 0.08 -0.09 0.00 -0.00 0.00 0.00 57.88 57.85 3k32 h LEU 23 Cb 0.14 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 3k32 h LEU 23 CO 0.02 0.14 -0.26 0.50 -0.00 0.00 0.00 178.44 178.83 3k32 h LYS 24 N 0.42 0.45 0.00 1.13 1.63 -0.88 -1.52 116.57 117.80 3k32 h LYS 24 Ca 0.32 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 3k32 h LYS 24 Cb 0.40 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3k32 h LYS 24 CO -0.32 0.68 0.00 0.87 -3.45 0.00 0.00 179.45 177.23 3k32 h LYS 25 N 0.39 0.00 -0.45 1.90 1.79 0.84 -2.48 116.57 118.56 3k32 h LYS 25 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3k32 h LYS 25 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 3k32 h LYS 25 CO 0.05 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.70 3k32 n LEU 26 N -2.94 3.17 0.00 2.94 4.77 -0.61 -4.95 117.00 119.39 3k32 n LEU 26 Ca 0.00 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 3k32 n LEU 26 Cb 0.26 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3k32 n LEU 26 CO 0.25 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 3k32 n GLY 27 N 1.45 1.00 3.93 -0.72 0.00 -0.93 -5.07 105.19 104.84 3k32 n GLY 27 Ca 0.20 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 3k32 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k32 s TYR 28 N -2.00 3.50 -0.56 1.61 2.02 -0.96 -4.60 117.35 116.35 3k32 s TYR 28 Ca 0.00 0.50 -0.14 0.00 -0.37 0.00 0.00 57.07 57.06 3k32 s TYR 28 Cb 0.00 -2.08 0.14 0.00 -0.40 0.00 0.00 41.96 39.62 3k32 s TYR 28 CO 0.00 -0.07 0.50 1.21 -1.57 0.00 0.00 175.55 175.62 3k32 s ASN 29 N -4.08 6.12 -0.25 2.29 3.04 -1.26 -4.34 114.94 116.47 3k32 s ASN 29 Ca 0.43 -1.97 -0.29 0.00 0.04 0.00 0.00 52.86 51.07 3k32 s ASN 29 Cb -0.10 -2.15 0.01 0.00 -1.54 0.00 0.00 41.25 37.46 3k32 s ASN 29 CO 0.39 -0.77 1.14 -2.84 -3.04 0.00 0.00 177.10 171.98 3k32 s PRO 30 N 1.31 4.16 -0.51 0.43 0.02 -1.26 -1.50 135.00 137.64 3k32 s PRO 30 Ca 0.06 1.34 -0.17 0.00 0.02 0.00 0.00 61.00 62.25 3k32 s PRO 30 Cb -0.26 -3.73 0.08 0.00 0.02 0.00 0.00 34.50 30.61 3k32 s PRO 30 CO 0.00 -0.78 0.54 -1.01 -0.33 0.00 0.00 177.00 175.42 3k32 s HIS 31 N 3.54 3.14 0.14 6.54 3.76 0.89 -4.31 115.29 128.99 3k32 s HIS 31 Ca 0.48 -0.81 -0.31 0.00 -0.15 0.00 0.00 55.06 54.28 3k32 s HIS 31 Cb -0.16 -3.48 -0.08 0.00 1.11 0.00 0.00 32.58 29.97 3k32 s HIS 31 CO 0.13 -0.97 1.35 -0.51 -0.85 0.00 0.00 174.74 173.89 3k32 s LEU 32 N 2.16 4.38 -0.01 0.89 1.02 -0.39 -1.99 118.68 124.74 3k32 s LEU 32 Ca 0.09 2.33 0.06 0.00 0.02 0.00 0.00 54.13 56.63 3k32 s LEU 32 Cb -0.23 -3.59 -0.02 0.00 0.02 0.00 0.00 46.19 42.37 3k32 s LEU 32 CO 0.08 -0.61 -0.20 0.27 0.02 0.00 0.00 176.35 175.92 3k32 s ILE 33 N 0.81 1.55 -0.05 -0.59 -4.36 0.41 -1.70 121.20 117.27 3k32 s ILE 33 Ca 0.62 -0.86 0.04 0.00 -0.26 0.00 0.00 60.65 60.19 3k32 s ILE 33 Cb -0.36 -1.29 -0.00 0.00 1.25 0.00 0.00 42.46 42.05 3k32 s ILE 33 CO 0.32 0.42 -0.18 -0.89 0.24 0.00 0.00 174.94 174.86 3k32 s THR 34 N -0.48 1.50 -0.09 8.37 2.01 -0.55 -0.10 115.64 126.29 3k32 s THR 34 Ca 0.08 -0.74 -0.13 0.00 0.31 0.00 0.00 61.69 61.20 3k32 s THR 34 Cb -0.08 -1.30 -0.05 0.00 0.01 0.00 0.00 72.50 71.09 3k32 s THR 34 CO -0.01 0.43 0.32 -0.63 -0.69 0.00 0.00 174.62 174.05 3k32 s ILE 35 N 0.15 5.23 -0.00 1.82 1.01 -1.26 -0.56 121.20 127.60 3k32 s ILE 35 Ca -0.07 0.62 0.05 0.00 0.00 0.00 0.00 60.65 61.25 3k32 s ILE 35 Cb -0.13 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 3k32 s ILE 35 CO 0.03 0.49 -0.15 0.21 0.00 0.00 0.00 174.94 175.53 3k32 s ASN 36 N -0.33 1.75 -0.16 3.58 3.84 -0.32 -4.84 114.94 118.46 3k32 s ASN 36 Ca 0.20 -0.31 0.16 0.00 0.21 0.00 0.00 52.86 53.12 3k32 s ASN 36 Cb -0.14 -0.18 0.58 0.00 -0.55 0.00 0.00 41.25 40.96 3k32 s ASN 36 CO 0.08 0.16 1.49 0.49 -2.79 0.00 0.00 177.10 176.53 3k32 n PHE 37 N 2.56 1.17 -1.71 0.43 3.01 -1.26 -0.67 117.46 120.99 3k32 n PHE 37 Ca -0.15 -0.78 -0.16 0.00 1.01 0.00 0.00 57.45 57.37 3k32 n PHE 37 Cb 0.55 -0.32 -0.05 0.00 -0.01 0.00 0.00 39.48 39.65 3k32 n PHE 37 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k32 n GLY 38 N -0.01 1.03 0.13 1.37 0.00 -1.26 -4.07 105.19 102.37 3k32 n GLY 38 Ca 0.22 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 3k32 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k32 n VAL 39 N -2.99 1.54 -3.79 1.61 0.31 -1.26 -5.01 118.33 108.73 3k32 n VAL 39 Ca -0.17 -0.28 -0.10 0.00 -0.01 0.00 0.00 64.34 63.78 3k32 n VAL 39 Cb 0.55 -1.91 -0.07 0.00 -0.91 0.00 0.00 33.84 31.51 3k32 n VAL 39 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3k32 s ILE 40 N -2.46 0.11 -1.58 2.52 -4.36 -1.26 -5.06 121.20 109.10 3k32 s ILE 40 Ca -0.35 -0.88 -0.10 0.00 -0.26 0.00 0.00 60.65 59.07 3k32 s ILE 40 Cb 0.11 -1.09 -0.09 0.00 1.25 0.00 0.00 42.46 42.64 3k32 s ILE 40 CO 0.54 -0.49 2.96 -0.81 0.24 0.00 0.00 174.94 177.39 3k32 n PRO 41 N 0.29 3.70 0.00 0.37 -0.04 -1.26 -4.69 135.00 133.38 3k32 n PRO 41 Ca -0.17 -2.22 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 3k32 n PRO 41 Cb 0.61 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 3k32 n PRO 41 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3k32 n SER 42 N 3.49 0.14 -0.92 3.54 3.41 -1.26 -3.45 113.62 118.57 3k32 n SER 42 Ca 0.78 -1.81 0.11 0.00 -0.26 0.00 0.00 58.87 57.69 3k32 n SER 42 Cb 0.25 -0.07 0.11 0.00 -0.26 0.00 0.00 64.21 64.24 3k32 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k32 n TYR 43 N -0.42 0.09 -0.15 7.33 0.18 -1.26 -4.53 117.16 118.40 3k32 n TYR 43 Ca 0.00 -0.05 -0.04 0.00 1.88 0.00 0.00 57.90 59.70 3k32 n TYR 43 Cb 0.03 -0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.02 3k32 n TYR 43 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 3k32 h LYS 44 N 4.30 -0.03 -0.38 -3.48 1.57 -1.98 -2.11 116.57 114.46 3k32 h LYS 44 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3k32 h LYS 44 Cb 0.92 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 3k32 h LYS 44 CO 0.00 -0.02 -0.13 1.25 -0.57 0.00 0.00 179.45 179.98 3k32 h LEU 45 N -0.03 0.68 -0.70 2.94 7.12 -1.91 -2.23 115.31 121.18 3k32 h LEU 45 Ca 0.23 -0.20 -0.06 0.00 0.13 0.00 0.00 57.88 57.97 3k32 h LEU 45 Cb 0.38 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.30 3k32 h LEU 45 CO -0.51 0.84 0.20 0.00 -0.13 0.00 0.00 178.44 178.84 3k32 h ALA 46 N 1.23 0.92 -0.58 1.25 0.00 -1.58 -1.09 119.26 119.40 3k32 h ALA 46 Ca 0.11 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3k32 h ALA 46 Cb 0.59 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3k32 h ALA 46 CO 0.04 0.62 0.36 0.93 0.00 0.00 0.00 179.25 181.20 3k32 h GLU 47 N 1.04 0.70 -0.13 0.00 5.08 -0.99 -1.15 114.58 119.13 3k32 h GLU 47 Ca 0.22 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3k32 h GLU 47 Cb 0.33 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3k32 h GLU 47 CO -0.00 0.46 0.06 0.93 -1.00 0.00 0.00 179.01 179.47 3k32 h GLU 48 N 0.72 0.19 -0.22 2.33 5.08 -1.17 -2.17 114.58 119.35 3k32 h GLU 48 Ca 0.23 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3k32 h GLU 48 Cb -0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3k32 h GLU 48 CO -0.09 0.24 0.00 1.15 -1.00 0.00 0.00 179.01 179.31 3k32 h THR 49 N 0.09 1.14 -0.33 1.13 2.02 -1.01 -0.99 112.91 114.95 3k32 h THR 49 Ca 0.05 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 3k32 h THR 49 Cb 0.11 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3k32 h THR 49 CO -0.01 0.18 0.09 0.00 0.37 0.00 0.00 175.52 176.15 3k32 h ALA 50 N 1.70 0.43 -0.98 6.16 0.00 -0.97 0.43 119.26 126.04 3k32 h ALA 50 Ca 0.07 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.90 3k32 h ALA 50 Cb 0.21 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3k32 h ALA 50 CO 0.00 0.09 0.63 0.87 0.00 0.00 0.00 179.25 180.84 3k32 h LYS 51 N 0.38 1.04 -0.34 0.00 1.57 -0.58 0.34 116.57 118.98 3k32 h LYS 51 Ca 0.10 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 3k32 h LYS 51 Cb 0.28 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3k32 h LYS 51 CO -0.00 0.69 -0.35 0.82 -0.57 0.00 0.00 179.45 180.04 3k32 h ILE 52 N 1.08 1.28 0.00 1.86 2.04 -0.90 -2.79 117.51 120.08 3k32 h ILE 52 Ca 0.44 -1.52 -0.07 0.00 1.00 0.00 0.00 64.86 64.70 3k32 h ILE 52 Cb 0.28 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3k32 h ILE 52 CO -0.19 0.50 -0.35 -0.07 0.00 0.00 0.00 178.15 178.04 3k32 h LEU 53 N 0.63 0.00 -0.17 1.44 4.07 -0.21 -3.41 115.31 117.66 3k32 h LEU 53 Ca 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 3k32 h LEU 53 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 3k32 h LEU 53 CO 0.09 0.35 -0.01 0.61 -1.08 0.00 0.00 178.44 178.40 3k32 n GLY 54 N -0.06 0.48 3.51 0.83 0.00 0.11 -4.97 105.19 105.10 3k32 n GLY 54 Ca -0.01 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 3k32 n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k32 s PHE 55 N -2.23 2.66 0.31 1.61 0.08 -0.89 -5.03 117.98 114.49 3k32 s PHE 55 Ca 0.00 -0.19 -0.28 0.00 0.12 0.00 0.00 56.93 56.58 3k32 s PHE 55 Cb -0.00 -1.47 -0.13 0.00 -0.57 0.00 0.00 43.02 40.85 3k32 s PHE 55 CO 0.00 0.33 1.13 1.63 -0.10 0.00 0.00 175.22 178.21 3k32 n LYS 56 N 1.26 1.67 -3.93 0.44 5.02 -1.26 -4.56 118.16 116.80 3k32 n LYS 56 Ca -0.15 0.59 -0.10 0.00 -2.02 0.00 0.00 58.31 56.62 3k32 n LYS 56 Cb 0.52 -2.05 -0.12 0.00 -0.02 0.00 0.00 35.03 33.37 3k32 n LYS 56 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3k32 s HIS 57 N -1.05 0.15 0.00 2.13 2.46 -1.26 -1.27 115.29 116.46 3k32 s HIS 57 Ca 0.58 -0.31 -0.06 0.00 0.47 0.00 0.00 55.06 55.73 3k32 s HIS 57 Cb -0.65 -0.12 0.00 0.00 -0.13 0.00 0.00 32.58 31.69 3k32 s HIS 57 CO 0.61 -0.13 0.12 0.21 -2.47 0.00 0.00 174.74 173.07 3k32 s LYS 58 N -0.96 0.44 -0.18 2.88 2.20 -0.69 -4.99 119.74 118.45 3k32 s LYS 58 Ca -0.11 -0.38 -0.09 0.00 -0.36 0.00 0.00 55.97 55.04 3k32 s LYS 58 Cb -0.07 0.18 -0.05 0.00 -1.51 0.00 0.00 37.83 36.39 3k32 s LYS 58 CO -0.01 -0.10 0.11 0.08 -0.36 0.00 0.00 175.35 175.07 3k32 s VAL 59 N -1.29 5.24 -0.17 4.02 1.01 -1.26 -1.49 120.40 126.46 3k32 s VAL 59 Ca -0.14 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 3k32 s VAL 59 Cb -0.07 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3k32 s VAL 59 CO 0.01 0.47 -0.14 -0.63 0.00 0.00 0.00 175.10 174.82 3k32 s ILE 60 N 0.13 2.68 -0.29 2.22 1.01 0.28 -4.93 121.20 122.29 3k32 s ILE 60 Ca 0.08 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 3k32 s ILE 60 Cb -0.11 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 3k32 s ILE 60 CO -0.01 0.50 0.30 -0.89 0.00 0.00 0.00 174.94 174.85 3k32 s THR 61 N 1.03 5.23 0.54 2.92 2.01 -1.26 -1.17 115.64 124.93 3k32 s THR 61 Ca -0.01 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.30 3k32 s THR 61 Cb -0.15 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.73 3k32 s THR 61 CO -0.03 0.12 0.38 -0.76 -0.69 0.00 0.00 174.62 173.64 3k32 s LEU 62 N 1.93 2.69 0.03 4.42 1.02 0.16 -4.98 118.68 123.95 3k32 s LEU 62 Ca 0.11 -1.26 -0.30 0.00 0.02 0.00 0.00 54.13 52.70 3k32 s LEU 62 Cb -0.16 -1.18 -0.06 0.00 0.02 0.00 0.00 46.19 44.81 3k32 s LEU 62 CO 0.11 -1.09 1.46 -0.62 0.02 0.00 0.00 176.35 176.23 3k32 s ASP 63 N -4.26 6.79 0.62 2.29 -1.08 -1.26 -4.47 116.67 115.29 3k32 s ASP 63 Ca 0.33 2.22 0.35 0.00 -0.52 0.00 0.00 52.55 54.94 3k32 s ASP 63 Cb -0.02 -2.56 2.03 0.00 -1.46 0.00 0.00 42.92 40.90 3k32 s ASP 63 CO 0.20 -0.76 2.29 -0.09 0.52 0.00 0.00 175.17 177.34 3k32 h ARG 64 N 7.86 0.00 -0.74 4.34 2.43 -1.95 -1.18 114.38 125.13 3k32 h ARG 64 Ca -0.39 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.87 3k32 h ARG 64 Cb 1.19 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.66 3k32 h ARG 64 CO 0.91 0.01 0.39 -0.22 -1.51 0.00 0.00 179.97 179.54 3k32 h LYS 65 N 0.00 0.63 -1.01 0.20 3.64 -1.91 -0.15 116.57 117.97 3k32 h LYS 65 Ca -0.00 -0.04 0.24 0.00 -1.27 0.00 0.00 60.65 59.58 3k32 h LYS 65 Cb 0.03 -0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 31.58 3k32 h LYS 65 CO 0.00 0.42 0.60 0.82 -2.27 0.00 0.00 179.45 179.02 3k32 h ILE 66 N 0.65 0.55 0.00 2.00 2.04 -1.60 -0.80 117.51 120.34 3k32 h ILE 66 Ca 0.36 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.90 3k32 h ILE 66 Cb 0.37 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3k32 h ILE 66 CO -0.26 0.11 -1.79 0.55 0.00 0.00 0.00 178.15 176.76 3k32 n VAL 67 N -4.87 0.71 -0.37 1.67 3.14 -0.76 -2.90 118.33 114.94 3k32 n VAL 67 Ca 0.27 -0.64 -0.00 0.00 -2.96 0.00 0.00 64.34 61.01 3k32 n VAL 67 Cb 0.74 -0.34 0.13 0.00 -1.06 0.00 0.00 33.84 33.30 3k32 n VAL 67 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3k32 h GLU 68 N 0.00 1.22 -0.19 1.45 4.39 -0.22 -2.23 114.58 119.00 3k32 h GLU 68 Ca -0.16 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.31 3k32 h GLU 68 Cb 1.43 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 3k32 h GLU 68 CO 0.02 0.81 -0.52 -0.22 -1.16 0.00 0.00 179.01 177.93 3k32 h LYS 69 N 1.26 0.54 0.21 2.33 3.64 -1.20 -1.89 116.57 121.46 3k32 h LYS 69 Ca 0.39 -0.33 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3k32 h LYS 69 Cb -0.02 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3k32 h LYS 69 CO -0.12 0.93 -0.25 0.00 -2.27 0.00 0.00 179.45 177.74 3k32 h ALA 70 N 1.01 -0.48 -0.46 5.00 0.00 -1.36 -2.38 119.26 120.58 3k32 h ALA 70 Ca 0.01 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3k32 h ALA 70 Cb 1.06 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 19.13 3k32 h ALA 70 CO 0.10 -0.81 -0.15 0.00 0.00 0.00 0.00 179.25 178.39 3k32 h ALA 71 N 0.18 0.25 0.00 0.00 0.00 -1.34 0.14 119.26 118.50 3k32 h ALA 71 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3k32 h ALA 71 Cb 0.49 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3k32 h ALA 71 CO -0.08 -0.48 0.00 -0.25 0.00 0.00 0.00 179.25 178.44 3k32 n ASP 72 N -5.36 0.00 0.00 0.00 8.00 -0.72 -1.08 116.55 117.39 3k32 n ASP 72 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 3k32 n ASP 72 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 3k32 n ASP 72 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3k32 n ILE 74 N 0.09 0.00 -0.03 0.53 5.41 0.50 -1.02 119.36 124.83 3k32 n ILE 74 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 3k32 n ILE 74 Cb 0.00 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.86 3k32 n ILE 74 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3k32 h ILE 75 N 0.00 1.25 0.30 1.39 1.08 -1.36 0.32 117.51 120.51 3k32 h ILE 75 Ca 0.00 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 63.65 3k32 h ILE 75 Cb 0.00 1.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 3k32 h ILE 75 CO 0.00 0.23 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.46 3k32 h GLU 76 N -0.10 -0.39 0.04 2.37 4.81 -1.33 -3.28 114.58 116.70 3k32 h GLU 76 Ca 0.03 0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.06 3k32 h GLU 76 Cb 0.35 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3k32 h GLU 76 CO 0.01 -0.24 -1.06 0.45 -0.73 0.00 0.00 179.01 177.44 3k32 h HIS 77 N -0.44 0.20 -1.24 0.92 3.86 -1.81 -3.47 115.15 113.17 3k32 h HIS 77 Ca -0.04 -0.14 -0.27 0.00 -1.16 0.00 0.00 60.37 58.76 3k32 h HIS 77 Cb 0.33 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.73 3k32 h HIS 77 CO -0.05 1.08 -0.29 1.63 0.86 0.00 0.00 177.93 181.16 3k32 n LYS 78 N -3.46 -1.00 -3.53 2.45 4.76 0.11 -5.01 118.16 112.48 3k32 n LYS 78 Ca -0.03 0.83 -0.15 0.00 -2.87 0.00 0.00 58.31 56.09 3k32 n LYS 78 Cb 0.94 -4.98 -0.05 0.00 -1.84 0.00 0.00 35.03 29.10 3k32 n LYS 78 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 3k32 s TYR 79 N -2.58 -0.52 -0.58 2.13 -0.85 -1.25 -4.96 117.35 108.74 3k32 s TYR 79 Ca 0.00 0.67 0.24 0.00 -0.52 0.00 0.00 57.07 57.46 3k32 s TYR 79 Cb 0.00 0.40 0.26 0.00 0.38 0.00 0.00 41.96 43.00 3k32 s TYR 79 CO 0.00 -0.67 1.25 -1.00 -1.52 0.00 0.00 175.55 173.61 3k32 h PRO 80 N 2.74 0.00 -0.65 -3.49 0.13 -1.91 -3.41 132.00 125.41 3k32 h PRO 80 Ca -0.30 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.89 3k32 h PRO 80 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 3k32 h PRO 80 CO 0.40 0.00 -0.45 0.78 -0.23 0.00 0.00 178.00 178.50 3k32 h GLY 81 N 4.44 -1.27 0.37 1.56 0.00 -1.98 -0.96 103.07 105.22 3k32 h GLY 81 Ca 0.00 0.85 0.12 0.00 0.00 0.00 0.00 47.33 48.31 3k32 h GLY 81 CO 0.00 -0.22 0.47 -2.55 0.00 0.00 0.00 176.54 174.24 3k32 h PRO 82 N -0.08 0.71 0.01 4.80 0.11 -2.00 0.12 132.00 135.67 3k32 h PRO 82 Ca 0.10 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 3k32 h PRO 82 Cb 0.35 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3k32 h PRO 82 CO -0.65 0.47 -0.00 0.00 -0.21 0.00 0.00 178.00 177.60 3k32 h ALA 83 N 1.51 -0.01 -0.58 -0.75 0.00 -1.49 0.37 119.26 118.32 3k32 h ALA 83 Ca 0.44 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.28 3k32 h ALA 83 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3k32 h ALA 83 CO -0.31 -0.42 0.37 0.82 0.00 0.00 0.00 179.25 179.72 3k32 h ILE 84 N -0.18 1.12 -0.17 0.00 1.08 -0.60 -0.38 117.51 118.39 3k32 h ILE 84 Ca -0.00 -0.26 0.05 0.00 -0.39 0.00 0.00 64.86 64.26 3k32 h ILE 84 Cb 0.17 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 34.18 3k32 h ILE 84 CO 0.00 0.14 -0.13 1.56 -0.69 0.00 0.00 178.15 179.03 3k32 h GLN 85 N 0.76 -0.13 0.08 2.37 1.08 -0.62 -1.51 115.11 117.14 3k32 h GLN 85 Ca 0.22 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.45 3k32 h GLN 85 Cb -0.06 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 3k32 h GLN 85 CO -0.06 -0.09 -0.23 -0.92 -0.95 0.00 0.00 178.83 176.58 3k32 h TYR 86 N -0.14 -0.62 0.57 2.96 3.20 -0.33 0.02 116.97 122.64 3k32 h TYR 86 Ca 0.11 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 3k32 h TYR 86 Cb 0.29 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 3k32 h TYR 86 CO -0.27 -0.33 -0.33 0.28 -1.64 0.00 0.00 178.16 175.87 3k32 h VAL 87 N -0.41 0.33 -0.97 1.81 2.07 -0.96 -0.60 116.25 117.52 3k32 h VAL 87 Ca 0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 3k32 h VAL 87 Cb 0.45 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 3k32 h VAL 87 CO -0.15 0.00 0.60 -0.74 0.02 0.00 0.00 177.57 177.30 3k32 h HIS 88 N -0.84 1.09 -0.42 1.57 -0.00 -1.23 0.20 115.15 115.51 3k32 h HIS 88 Ca -0.07 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.28 3k32 h HIS 88 Cb 0.68 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.72 3k32 h HIS 88 CO -0.08 0.45 0.03 0.87 -0.00 0.00 0.00 177.93 179.20 3k32 h LYS 89 N 0.98 0.66 -0.10 5.26 1.57 -0.66 -2.00 116.57 122.28 3k32 h LYS 89 Ca 0.47 -0.15 -0.17 0.00 -1.87 0.00 0.00 60.65 58.93 3k32 h LYS 89 Cb 0.42 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.64 3k32 h LYS 89 CO -0.25 0.66 -0.59 1.15 -0.57 0.00 0.00 179.45 179.84 3k32 h THR 90 N 0.63 1.35 -0.32 -0.16 2.02 0.60 -2.19 112.91 114.84 3k32 h THR 90 Ca 0.13 -1.90 0.06 0.00 0.77 0.00 0.00 66.41 65.47 3k32 h THR 90 Cb 0.35 2.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.90 3k32 h THR 90 CO 0.01 0.58 -0.01 0.58 0.37 0.00 0.00 175.52 177.05 3k32 h VAL 91 N 0.20 0.76 -0.74 3.16 2.07 -0.67 -2.03 116.25 118.99 3k32 h VAL 91 Ca -0.05 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3k32 h VAL 91 Cb 1.24 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3k32 h VAL 91 CO 0.12 0.01 0.44 -0.07 0.02 0.00 0.00 177.57 178.09 3k32 h LEU 92 N 0.08 0.89 -0.87 2.57 3.38 -1.29 -0.34 115.31 119.73 3k32 h LEU 92 Ca 0.15 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3k32 h LEU 92 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3k32 h LEU 92 CO -0.27 0.69 0.08 -0.33 0.09 0.00 0.00 178.44 178.71 3k32 h GLU 93 N 1.02 0.92 -0.08 1.13 4.39 -0.84 -0.64 114.58 120.48 3k32 h GLU 93 Ca 0.27 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 3k32 h GLU 93 Cb -0.03 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3k32 h GLU 93 CO -0.05 0.86 -0.36 0.82 -1.16 0.00 0.00 179.01 179.12 3k32 h ILE 94 N 0.87 1.41 -0.72 3.13 2.04 -1.13 -3.27 117.51 119.84 3k32 h ILE 94 Ca 0.18 -1.75 0.01 0.00 1.00 0.00 0.00 64.86 64.30 3k32 h ILE 94 Cb 0.40 2.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.75 3k32 h ILE 94 CO 0.01 0.51 0.47 -0.07 0.00 0.00 0.00 178.15 179.07 3k32 h LEU 95 N -0.10 0.81 -2.04 1.44 4.07 -0.89 -2.62 115.31 115.99 3k32 h LEU 95 Ca -0.02 -0.02 0.07 0.00 0.08 0.00 0.00 57.88 57.99 3k32 h LEU 95 Cb 1.01 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 3k32 h LEU 95 CO 0.07 0.58 0.18 0.00 -1.08 0.00 0.00 178.44 178.19 3k32 h ALA 96 N 1.56 2.18 0.00 1.53 0.00 -1.16 0.00 119.26 123.37 3k32 h ALA 96 Ca 0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3k32 h ALA 96 Cb -0.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3k32 h ALA 96 CO -0.06 -0.30 -0.24 -0.44 0.00 0.00 0.00 179.25 178.21 3k32 h ASP 97 N 0.00 0.00 0.00 0.00 3.32 -1.57 -3.30 116.42 114.87 3k32 h ASP 97 Ca 0.11 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 3k32 h ASP 97 Cb 0.47 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3k32 h ASP 97 CO -0.00 0.24 -1.70 -0.62 -1.72 0.00 0.00 179.24 175.44 3k32 n GLU 98 N -3.50 1.18 -4.64 3.56 1.02 -0.24 -4.99 120.64 113.03 3k32 n GLU 98 Ca -0.00 -0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 56.82 3k32 n GLU 98 Cb 0.40 -1.31 -0.16 0.00 -0.02 0.00 0.00 31.44 30.35 3k32 n GLU 98 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3k32 s TYR 99 N -2.61 1.50 -1.48 -0.32 2.02 -0.18 -5.02 117.35 111.26 3k32 s TYR 99 Ca -0.05 -0.52 0.25 0.00 -0.37 0.00 0.00 57.07 56.37 3k32 s TYR 99 Cb 0.06 -1.07 0.44 0.00 -0.40 0.00 0.00 41.96 40.98 3k32 s TYR 99 CO 0.51 -0.25 1.36 -1.13 -1.57 0.00 0.00 175.55 174.48 3k32 n SER 100 N 3.63 1.02 -3.67 2.29 3.41 -1.26 -4.46 113.62 114.58 3k32 n SER 100 Ca -0.21 -0.81 -0.29 0.00 -0.26 0.00 0.00 58.87 57.29 3k32 n SER 100 Cb 0.52 0.33 -0.15 0.00 -0.26 0.00 0.00 64.21 64.65 3k32 n SER 100 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3k32 s ILE 101 N -2.71 0.56 -0.05 -1.33 1.01 -1.26 -1.56 121.20 115.86 3k32 s ILE 101 Ca 0.17 -1.17 -0.02 0.00 0.00 0.00 0.00 60.65 59.63 3k32 s ILE 101 Cb 0.18 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3k32 s ILE 101 CO 0.63 -0.68 0.08 -0.76 0.00 0.00 0.00 174.94 174.21 3k32 s LEU 102 N 1.78 3.94 0.14 2.97 1.02 -0.29 -1.06 118.68 127.18 3k32 s LEU 102 Ca 0.09 0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.47 3k32 s LEU 102 Cb -0.17 -2.12 -0.04 0.00 0.02 0.00 0.00 46.19 43.88 3k32 s LEU 102 CO -0.28 0.33 0.01 0.00 0.02 0.00 0.00 176.35 176.43 3k32 s ALA 103 N -1.08 1.04 0.05 4.21 0.00 0.37 -0.27 121.76 126.09 3k32 s ALA 103 Ca 0.19 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 50.66 3k32 s ALA 103 Cb -0.12 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.59 3k32 s ALA 103 CO 0.09 -0.37 0.09 -0.40 0.00 0.00 0.00 175.76 175.17 3k32 n ASP 104 N -0.13 -0.26 -1.37 0.00 5.68 -1.11 -0.34 116.55 119.01 3k32 n ASP 104 Ca -0.08 -1.24 0.09 0.00 -0.50 0.00 0.00 54.79 53.05 3k32 n ASP 104 Cb 0.63 0.46 0.32 0.00 -1.14 0.00 0.00 41.12 41.39 3k32 n ASP 104 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k32 n GLY 105 N -0.08 3.02 3.74 6.12 0.00 -1.26 -4.35 105.19 112.38 3k32 n GLY 105 Ca -0.01 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 3k32 n GLY 105 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k32 n THR 106 N 0.70 2.46 -4.24 2.61 -2.24 -1.26 -4.82 114.28 107.49 3k32 n THR 106 Ca 0.23 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.38 3k32 n THR 106 Cb 0.86 -1.74 -0.10 0.00 -2.10 0.00 0.00 70.33 67.25 3k32 n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k32 s ARG 107 N -2.23 1.13 0.21 -0.78 1.70 -1.26 -4.00 118.95 113.73 3k32 s ARG 107 Ca 0.59 -1.55 -0.11 0.00 -0.47 0.00 0.00 55.73 54.19 3k32 s ARG 107 Cb -0.49 -0.24 0.28 0.00 -0.57 0.00 0.00 34.95 33.93 3k32 s ARG 107 CO 0.60 -0.15 1.68 -0.09 -1.08 0.00 0.00 175.30 176.25 3k32 h ARG 108 N 2.67 0.16 0.00 3.89 2.43 -1.60 -3.03 114.38 118.90 3k32 h ARG 108 Ca -0.37 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3k32 h ARG 108 Cb 1.21 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3k32 h ARG 108 CO 0.62 0.11 -0.46 -0.25 -1.51 0.00 0.00 179.97 178.49 3k32 n ASP 109 N -5.22 0.56 -4.56 -3.80 8.00 -1.26 -4.74 116.55 105.54 3k32 n ASP 109 Ca 0.09 0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.27 3k32 n ASP 109 Cb 0.33 0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.37 3k32 n ASP 109 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3k32 s ASP 110 N -3.73 6.24 0.57 -2.24 1.01 -1.15 -4.93 116.67 112.45 3k32 s ASP 110 Ca 0.09 -0.06 0.38 0.00 0.71 0.00 0.00 52.55 53.67 3k32 s ASP 110 Cb 0.15 -2.22 1.88 0.00 1.01 0.00 0.00 42.92 43.74 3k32 s ASP 110 CO 0.68 -0.35 2.14 0.03 0.21 0.00 0.00 175.17 177.88 3k32 h ARG 111 N 8.40 0.00 -2.99 8.23 3.08 -1.85 -3.43 114.38 125.81 3k32 h ARG 111 Ca -0.30 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.60 3k32 h ARG 111 Cb 1.14 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.93 3k32 h ARG 111 CO 0.71 0.00 -0.39 0.08 -1.07 0.00 0.00 179.97 179.29 3k32 s VAL 112 N -3.88 -0.01 0.47 2.04 1.01 -1.26 -4.02 120.40 114.75 3k32 s VAL 112 Ca -0.02 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 3k32 s VAL 112 Cb 0.11 -0.42 -0.09 0.00 0.00 0.00 0.00 36.38 35.97 3k32 s VAL 112 CO 0.43 0.02 1.01 -2.16 0.00 0.00 0.00 175.10 174.39 3k32 s PRO 113 N 0.52 3.92 -0.29 2.72 0.04 -1.26 -5.04 135.00 135.61 3k32 s PRO 113 Ca -0.03 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 3k32 s PRO 113 Cb -0.04 -2.12 0.13 0.00 0.04 0.00 0.00 34.50 32.50 3k32 s PRO 113 CO -0.03 -0.31 0.82 0.21 0.04 0.00 0.00 177.00 177.73 3k32 s LYS 114 N -3.27 0.51 0.23 4.56 2.20 -1.26 -4.79 119.74 117.92 3k32 s LYS 114 Ca 0.65 1.01 -0.30 0.00 -0.36 0.00 0.00 55.97 56.97 3k32 s LYS 114 Cb -0.14 0.32 -0.09 0.00 -1.51 0.00 0.00 37.83 36.42 3k32 s LYS 114 CO 0.19 -0.13 0.97 -0.51 -0.36 0.00 0.00 175.35 175.51 3k32 s LEU 115 N 1.95 4.61 0.80 5.43 1.43 -1.26 -5.05 118.68 126.58 3k32 s LEU 115 Ca -0.08 1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 54.90 3k32 s LEU 115 Cb -0.06 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.62 3k32 s LEU 115 CO -0.18 0.07 1.12 -0.94 0.23 0.00 0.00 176.35 176.65 3k32 s SER 116 N -0.95 4.10 0.20 2.29 1.04 -1.26 -4.84 113.70 114.28 3k32 s SER 116 Ca 0.43 1.99 -0.10 0.00 0.48 0.00 0.00 55.95 58.74 3k32 s SER 116 Cb -0.27 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.54 3k32 s SER 116 CO 0.33 -2.31 1.77 0.22 0.98 0.00 0.00 173.24 174.23 3k32 h TYR 117 N -1.15 0.49 -0.42 5.02 5.03 -1.99 -0.45 116.97 123.49 3k32 h TYR 117 Ca -0.44 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 60.83 3k32 h TYR 117 Cb 1.25 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 39.38 3k32 h TYR 117 CO 0.55 0.19 -0.03 0.66 -1.32 0.00 0.00 178.16 178.20 3k32 h SER 118 N 0.50 0.66 -0.98 -2.11 4.64 -2.00 -1.04 113.55 113.22 3k32 h SER 118 Ca 0.28 -0.16 0.02 0.00 -0.47 0.00 0.00 61.79 61.46 3k32 h SER 118 Cb 0.26 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 3k32 h SER 118 CO -0.23 0.75 0.65 -0.33 -0.87 0.00 0.00 176.83 176.80 3k32 h GLU 119 N 0.64 1.25 -0.34 4.77 5.08 -1.64 -1.52 114.58 122.83 3k32 h GLU 119 Ca 0.13 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3k32 h GLU 119 Cb 0.45 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3k32 h GLU 119 CO 0.02 0.83 -0.04 0.82 -1.00 0.00 0.00 179.01 179.65 3k32 h ILE 120 N 1.29 1.27 -0.40 3.13 2.04 -0.53 -1.36 117.51 122.94 3k32 h ILE 120 Ca 0.37 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 3k32 h ILE 120 Cb -0.08 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3k32 h ILE 120 CO -0.10 0.34 0.25 1.56 0.00 0.00 0.00 178.15 180.20 3k32 h GLN 121 N 0.42 0.55 -0.39 2.37 1.08 -1.05 -0.94 115.11 117.15 3k32 h GLN 121 Ca 0.09 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 3k32 h GLN 121 Cb 0.51 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 3k32 h GLN 121 CO 0.02 0.40 0.23 1.03 -0.95 0.00 0.00 178.83 179.57 3k32 h SER 122 N 0.53 0.38 0.37 1.46 0.87 -1.21 -3.05 113.55 112.90 3k32 h SER 122 Ca 0.15 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 3k32 h SER 122 Cb -0.00 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3k32 h SER 122 CO -0.03 0.28 -0.18 0.25 -0.53 0.00 0.00 176.83 176.62 3k32 h LEU 123 N 0.47 -0.42 -1.05 2.23 6.46 -1.08 0.12 115.31 122.05 3k32 h LEU 123 Ca 0.15 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 3k32 h LEU 123 Cb -0.00 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 3k32 h LEU 123 CO -0.07 -0.21 0.00 -0.62 -0.62 0.00 0.00 178.44 176.92 3k32 n GLU 124 N -5.26 0.00 0.00 1.25 1.02 -0.37 -1.45 120.64 115.83 3k32 n GLU 124 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 3k32 n GLU 124 Cb 0.24 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 3k32 n GLU 124 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3k32 n ARG 126 N 0.51 0.00 -0.05 3.49 1.74 0.42 -0.87 116.66 121.91 3k32 n ARG 126 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 3k32 n ARG 126 Cb 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.55 3k32 n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3k32 n LYS 127 N 0.00 1.80 -4.11 5.56 4.01 -0.53 -4.98 118.16 119.91 3k32 n LYS 127 Ca 0.00 -1.75 -0.37 0.00 -0.51 0.00 0.00 58.31 55.68 3k32 n LYS 127 Cb 0.00 -1.38 -0.03 0.00 -0.51 0.00 0.00 35.03 33.12 3k32 n LYS 127 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3k32 n ASN 128 N 1.09 -1.85 -4.48 4.39 5.15 -0.05 -4.91 115.26 114.60 3k32 n ASN 128 Ca 0.12 -1.23 -0.23 0.00 -0.60 0.00 0.00 54.58 52.65 3k32 n ASN 128 Cb 0.48 -2.00 -0.11 0.00 -0.53 0.00 0.00 39.78 37.63 3k32 n ASN 128 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3k32 s ILE 129 N -3.90 1.64 -0.14 -1.44 -4.36 -0.96 -4.92 121.20 107.13 3k32 s ILE 129 Ca 0.24 -2.07 -0.09 0.00 -0.26 0.00 0.00 60.65 58.47 3k32 s ILE 129 Cb -0.13 -2.68 -0.05 0.00 1.25 0.00 0.00 42.46 40.86 3k32 s ILE 129 CO 0.96 -0.14 0.18 -1.10 0.24 0.00 0.00 174.94 175.08 3k32 s GLN 130 N -3.76 3.80 -0.20 0.37 -0.21 -0.60 -4.48 119.66 114.59 3k32 s GLN 130 Ca 0.33 -0.08 -0.00 0.00 0.02 0.00 0.00 55.36 55.62 3k32 s GLN 130 Cb 0.06 -3.29 0.01 0.00 1.00 0.00 0.00 33.01 30.80 3k32 s GLN 130 CO 0.15 0.57 -0.15 -0.47 -2.12 0.00 0.00 175.29 173.26 3k32 s TYR 131 N -0.44 2.85 -0.14 0.91 5.04 -1.26 -1.14 117.35 123.17 3k32 s TYR 131 Ca 0.14 -1.44 0.02 0.00 -2.44 0.00 0.00 57.07 53.35 3k32 s TYR 131 Cb -0.12 -1.98 0.01 0.00 0.35 0.00 0.00 41.96 40.22 3k32 s TYR 131 CO 0.03 -0.73 -0.21 0.42 -1.34 0.00 0.00 175.55 173.72 3k32 s ILE 132 N 1.35 2.00 -0.66 3.14 1.01 0.63 -5.00 121.20 123.66 3k32 s ILE 132 Ca 0.05 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.81 3k32 s ILE 132 Cb -0.14 -1.77 0.16 0.00 0.01 0.00 0.00 42.46 40.73 3k32 s ILE 132 CO -0.10 0.54 0.45 0.42 0.00 0.00 0.00 174.94 176.25 3k32 s THR 133 N 0.84 2.66 0.49 2.92 -4.23 -1.26 -2.76 115.64 114.30 3k32 s THR 133 Ca -0.07 -4.03 0.23 0.00 -1.18 0.00 0.00 61.69 56.64 3k32 s THR 133 Cb -0.15 -2.76 0.40 0.00 1.34 0.00 0.00 72.50 71.32 3k32 s THR 133 CO -0.02 -1.00 1.95 -0.65 -0.54 0.00 0.00 174.62 174.36 3k32 h PRO 134 N 5.56 0.15 -4.75 3.99 0.11 -1.85 -3.41 132.00 131.80 3k32 h PRO 134 Ca 0.13 -0.01 -0.73 0.00 0.11 0.00 0.00 66.00 65.50 3k32 h PRO 134 Cb 0.78 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 31.71 3k32 h PRO 134 CO 0.69 0.10 1.70 1.28 -0.21 0.00 0.00 178.00 181.56 3k32 n LEU 135 N -4.40 5.45 0.00 2.35 4.77 -1.26 -4.68 117.00 119.23 3k32 n LEU 135 Ca 0.13 -4.37 0.00 0.00 -0.03 0.00 0.00 56.01 51.74 3k32 n LEU 135 Cb 0.64 -1.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 3k32 n LEU 135 CO 0.36 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 3k32 n GLY 137 N 4.15 0.00 3.15 -0.72 0.00 -1.26 -2.48 105.19 108.02 3k32 n GLY 137 Ca 0.40 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 3k32 n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k32 s PHE 138 N 0.00 2.68 0.68 1.61 0.40 -1.26 -5.01 117.98 117.08 3k32 s PHE 138 Ca 0.00 -1.44 -0.11 0.00 -0.60 0.00 0.00 56.93 54.78 3k32 s PHE 138 Cb 0.00 -1.84 0.00 0.00 0.51 0.00 0.00 43.02 41.69 3k32 s PHE 138 CO 0.00 -0.68 1.06 0.20 0.70 0.00 0.00 175.22 176.50 3k32 s GLY 139 N 1.00 1.66 0.19 4.36 0.00 -1.26 -3.92 107.32 109.35 3k32 s GLY 139 Ca -0.03 -0.02 -0.24 0.00 0.00 0.00 0.00 44.72 44.44 3k32 s GLY 139 CO -0.06 0.29 1.55 -1.82 0.00 0.00 0.00 173.10 173.06 3k32 h TYR 140 N -0.64 -1.45 -0.99 1.90 5.03 -1.98 0.18 116.97 119.02 3k32 h TYR 140 Ca -0.44 0.11 0.17 0.00 2.58 0.00 0.00 58.73 61.15 3k32 h TYR 140 Cb 1.21 0.77 -0.10 0.00 1.55 0.00 0.00 36.73 40.16 3k32 h TYR 140 CO 0.61 -0.39 0.60 0.87 -1.32 0.00 0.00 178.16 178.53 3k32 h LYS 141 N -0.02 0.79 -0.04 1.82 1.57 -1.99 0.09 116.57 118.79 3k32 h LYS 141 Ca 0.25 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.76 3k32 h LYS 141 Cb 0.52 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.66 3k32 h LYS 141 CO -0.94 0.52 -0.91 1.15 -0.57 0.00 0.00 179.45 178.70 3k32 h THR 142 N 0.81 1.34 -0.72 -0.16 2.02 -1.20 -2.53 112.91 112.48 3k32 h THR 142 Ca 0.55 -2.27 -0.07 0.00 0.77 0.00 0.00 66.41 65.40 3k32 h THR 142 Cb 0.77 2.29 -0.03 0.00 -1.74 0.00 0.00 68.15 69.44 3k32 h THR 142 CO -0.35 0.69 0.19 -0.07 0.37 0.00 0.00 175.52 176.34 3k32 h LEU 143 N 0.33 1.08 -0.55 2.58 4.07 -0.31 -1.89 115.31 120.63 3k32 h LEU 143 Ca -0.08 -0.23 0.02 0.00 0.08 0.00 0.00 57.88 57.67 3k32 h LEU 143 Cb 1.54 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.96 3k32 h LEU 143 CO 0.17 1.03 0.34 -0.09 -1.08 0.00 0.00 178.44 178.80 3k32 h ARG 144 N 1.08 0.66 0.01 1.13 2.43 -0.91 -0.49 114.38 118.29 3k32 h ARG 144 Ca 0.23 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3k32 h ARG 144 Cb 0.36 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3k32 h ARG 144 CO 0.00 0.44 -0.01 1.25 -1.51 0.00 0.00 179.97 180.14 3k32 h HIS 145 N 0.68 -0.02 -0.95 2.20 2.76 -1.27 -2.89 115.15 115.66 3k32 h HIS 145 Ca 0.22 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.43 3k32 h HIS 145 Cb -0.00 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 3k32 h HIS 145 CO -0.05 0.26 0.62 -0.07 -1.30 0.00 0.00 177.93 177.39 3k32 h LEU 146 N -0.29 1.02 -1.00 0.26 3.38 -1.19 -2.24 115.31 115.25 3k32 h LEU 146 Ca -0.00 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3k32 h LEU 146 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3k32 h LEU 146 CO 0.00 0.69 -0.03 0.00 0.09 0.00 0.00 178.44 179.20 3k32 h ALA 147 N 1.40 1.17 0.00 1.53 0.00 -1.06 -1.38 119.26 120.92 3k32 h ALA 147 Ca 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3k32 h ALA 147 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3k32 h ALA 147 CO -0.13 0.54 0.00 0.66 0.00 0.00 0.00 179.25 180.31 3k32 h SER 148 N 0.65 0.00 0.24 0.00 4.64 -1.26 -0.39 113.55 117.42 3k32 h SER 148 Ca 0.13 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.10 3k32 h SER 148 Cb 0.44 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.56 3k32 h SER 148 CO 0.02 0.00 -1.60 -0.33 -0.87 0.00 0.00 176.83 174.05 3k32 h GLU 149 N 0.00 0.48 0.00 4.77 4.39 -0.76 -3.38 114.58 120.08 3k32 h GLU 149 Ca 0.00 -0.82 -0.11 0.00 0.34 0.00 0.00 59.36 58.77 3k32 h GLU 149 Cb 0.83 0.31 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 3k32 h GLU 149 CO 0.00 1.39 -1.45 1.19 -1.16 0.00 0.00 179.01 178.98 3k32 n PHE 150 N -3.66 0.77 -4.73 4.33 3.72 -0.60 -4.68 117.46 112.61 3k32 n PHE 150 Ca -0.20 0.24 -0.27 0.00 -0.05 0.00 0.00 57.45 57.17 3k32 n PHE 150 Cb 1.09 -0.96 -0.14 0.00 -0.94 0.00 0.00 39.48 38.53 3k32 n PHE 150 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3k32 s PHE 151 N -3.11 1.99 -0.37 1.38 0.08 -0.16 -1.43 117.98 116.36 3k32 s PHE 151 Ca -0.03 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.34 3k32 s PHE 151 Cb 0.09 -1.19 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 3k32 s PHE 151 CO 0.82 0.11 1.14 0.42 -0.10 0.00 0.00 175.22 177.60 3k32 s ILE 152 N -0.80 4.34 -0.15 0.64 1.01 0.80 -4.61 121.20 122.44 3k32 s ILE 152 Ca 0.09 1.49 -0.03 0.00 0.00 0.00 0.00 60.65 62.20 3k32 s ILE 152 Cb -0.09 -4.44 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 3k32 s ILE 152 CO 0.02 -0.66 -0.05 -0.76 0.00 0.00 0.00 174.94 173.49 3k32 s LEU 153 N 4.06 3.20 0.04 2.97 1.43 -1.26 -0.50 118.68 128.61 3k32 s LEU 153 Ca 0.48 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 3k32 s LEU 153 Cb -0.11 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3k32 s LEU 153 CO 0.22 0.19 -0.04 -0.70 0.23 0.00 0.00 176.35 176.25 3k32 s GLU 154 N 0.26 0.45 -0.27 1.70 2.56 -0.81 -4.96 118.70 117.63 3k32 s GLU 154 Ca -0.04 -0.83 -0.11 0.00 0.00 0.00 0.00 54.97 53.99 3k32 s GLU 154 Cb -0.14 0.05 -0.05 0.00 2.00 0.00 0.00 34.13 35.99 3k32 s GLU 154 CO 0.03 -0.05 0.18 -2.00 -0.56 0.00 0.00 175.26 172.87 3k32 s GLU 155 N -2.25 3.96 0.04 4.30 2.12 -1.26 0.25 118.70 125.86 3k32 s GLU 155 Ca -0.08 -0.32 0.05 0.00 0.36 0.00 0.00 54.97 54.99 3k32 s GLU 155 Cb -0.05 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 3k32 s GLU 155 CO -0.03 -0.15 -0.15 0.42 -0.54 0.00 0.00 175.26 174.81 3k32 s ILE 156 N 1.67 1.21 -0.35 -3.70 -1.09 -1.10 -4.97 121.20 112.86 3k32 s ILE 156 Ca 0.07 -1.01 -0.07 0.00 -2.23 0.00 0.00 60.65 57.41 3k32 s ILE 156 Cb -0.16 -1.08 0.05 0.00 -1.58 0.00 0.00 42.46 39.69 3k32 s ILE 156 CO 0.10 0.06 0.13 -0.54 -1.23 0.00 0.00 174.94 173.46 3k32 s LYS 157 N -1.09 2.60 -0.29 2.79 3.01 -1.26 -4.84 119.74 120.66 3k32 s LYS 157 Ca 0.03 -1.23 -0.04 0.00 -1.01 0.00 0.00 55.97 53.72 3k32 s LYS 157 Cb -0.08 -3.51 0.10 0.00 -1.01 0.00 0.00 37.83 33.33 3k32 s LYS 157 CO 0.01 -0.72 0.14 -1.59 0.51 0.00 0.00 175.35 173.71 3k32 s LYS 161 N 1.40 0.19 0.20 1.68 -2.85 -1.26 -5.29 119.74 113.81 3k32 s LYS 161 Ca -0.01 -0.49 -0.31 0.00 -1.00 0.00 0.00 55.97 54.17 3k32 s LYS 161 Cb -0.20 -1.15 -0.09 0.00 -2.06 0.00 0.00 37.83 34.33 3k32 s LYS 161 CO 0.03 -1.01 1.44 -1.17 0.10 0.00 0.00 175.35 174.73 3k32 s LEU 162 N 2.12 4.38 0.19 2.77 2.96 -1.26 -5.00 118.68 124.84 3k32 s LEU 162 Ca 0.09 2.55 0.03 0.00 -0.22 0.00 0.00 54.13 56.57 3k32 s LEU 162 Cb -0.16 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.88 3k32 s LEU 162 CO -0.36 -0.69 -0.01 -0.55 -1.32 0.00 0.00 176.35 173.42 3k32 s SER 163 N 0.67 1.44 0.68 3.68 0.15 -1.26 -4.41 113.70 114.65 3k32 s SER 163 Ca 0.62 -1.17 -0.13 0.00 0.70 0.00 0.00 55.95 55.98 3k32 s SER 163 Cb -0.40 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 63.99 3k32 s SER 163 CO 0.37 -0.53 1.07 -0.44 1.20 0.00 0.00 173.24 174.92 3k32 s SER 164 N -3.21 5.26 -0.07 5.45 0.01 -1.26 -4.84 113.70 115.05 3k32 s SER 164 Ca 0.24 1.76 -0.40 0.00 1.31 0.00 0.00 55.95 58.87 3k32 s SER 164 Cb 0.06 -2.52 -0.18 0.00 0.21 0.00 0.00 66.02 63.58 3k32 s SER 164 CO 0.05 -1.52 1.31 0.47 0.41 0.00 0.00 173.24 173.95 3k32 n ASP 165 N -2.83 0.97 0.00 2.44 10.43 -1.26 -2.50 116.55 123.80 3k32 n ASP 165 Ca 0.09 1.14 0.00 0.00 2.57 0.00 0.00 54.79 58.59 3k32 n ASP 165 Cb 0.53 -1.03 0.00 0.00 1.84 0.00 0.00 41.12 42.46 3k32 n ASP 165 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3k32 n TYR 166 N 2.60 0.00 -0.04 1.24 4.01 -1.26 -4.83 117.16 118.89 3k32 n TYR 166 Ca 0.22 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.84 3k32 n TYR 166 Cb 0.10 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 3k32 n TYR 166 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3k32 h GLU 167 N 0.79 0.21 -0.56 -0.72 4.81 -1.87 -2.02 114.58 115.22 3k32 h GLU 167 Ca 0.00 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.29 3k32 h GLU 167 Cb 0.00 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.26 3k32 h GLU 167 CO 0.00 0.36 0.04 0.00 -0.73 0.00 0.00 179.01 178.67 3k32 h ALA 168 N 0.85 0.58 -0.27 2.92 0.00 -1.88 0.31 119.26 121.76 3k32 h ALA 168 Ca 0.04 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3k32 h ALA 168 Cb 0.23 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3k32 h ALA 168 CO -0.00 -0.37 -0.22 0.93 0.00 0.00 0.00 179.25 179.60 3k32 h GLU 169 N 0.16 0.63 -0.60 0.00 5.08 -1.90 -1.59 114.58 116.35 3k32 h GLU 169 Ca 0.29 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3k32 h GLU 169 Cb 0.45 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3k32 h GLU 169 CO -0.45 0.91 0.35 0.82 -1.00 0.00 0.00 179.01 179.64 3k32 h ILE 170 N 0.36 1.19 -0.35 3.13 2.04 -0.59 -0.83 117.51 122.46 3k32 h ILE 170 Ca 0.05 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 3k32 h ILE 170 Cb 0.76 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3k32 h ILE 170 CO 0.06 0.20 0.13 0.03 0.00 0.00 0.00 178.15 178.56 3k32 h ARG 171 N 0.82 0.50 -0.43 2.37 3.08 -0.36 -1.89 114.38 118.46 3k32 h ARG 171 Ca 0.21 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 3k32 h ARG 171 Cb 0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3k32 h ARG 171 CO -0.04 0.43 -0.12 1.25 -1.07 0.00 0.00 179.97 180.42 3k32 h HIS 172 N 0.50 0.85 -0.13 3.04 2.76 -0.14 -1.27 115.15 120.75 3k32 h HIS 172 Ca 0.12 -0.16 -0.08 0.00 -2.20 0.00 0.00 60.37 58.05 3k32 h HIS 172 Cb 0.13 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.87 3k32 h HIS 172 CO 0.00 0.85 -0.24 0.82 -1.30 0.00 0.00 177.93 178.06 3k32 h ILE 173 N 0.70 1.37 -0.58 6.26 2.04 -0.79 -1.79 117.51 124.73 3k32 h ILE 173 Ca 0.12 -1.49 0.12 0.00 1.00 0.00 0.00 64.86 64.60 3k32 h ILE 173 Cb 0.60 2.01 -0.11 0.00 -0.74 0.00 0.00 36.82 38.58 3k32 h ILE 173 CO 0.04 0.44 -0.11 -0.07 0.00 0.00 0.00 178.15 178.44 3k32 h LEU 174 N -0.00 -0.48 -0.13 1.44 3.38 -1.28 -0.96 115.31 117.29 3k32 h LEU 174 Ca 0.01 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3k32 h LEU 174 Cb 0.82 0.34 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 3k32 h LEU 174 CO 0.05 -0.17 -0.04 0.50 0.09 0.00 0.00 178.44 178.87 3k32 h LYS 175 N 0.02 -0.02 -0.99 1.13 3.64 -1.14 0.03 116.57 119.25 3k32 h LYS 175 Ca 0.28 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.83 3k32 h LYS 175 Cb 0.44 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.16 3k32 h LYS 175 CO -0.57 -0.01 0.60 0.93 -2.27 0.00 0.00 179.45 178.12 3k32 h GLU 176 N -0.02 0.80 0.00 1.90 5.08 -0.37 0.52 114.58 122.48 3k32 h GLU 176 Ca 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3k32 h GLU 176 Cb 0.12 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3k32 h GLU 176 CO -0.14 0.53 0.00 0.54 -1.00 0.00 0.00 179.01 178.94 3k32 n ARG 177 N -4.73 0.54 -0.88 2.33 1.74 -0.47 -4.84 116.66 110.35 3k32 n ARG 177 Ca 0.21 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 3k32 n ARG 177 Cb 0.49 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 3k32 n ARG 177 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k32 n GLY 178 N 0.38 0.68 3.86 -0.13 0.00 0.18 -5.04 105.19 105.12 3k32 n GLY 178 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3k32 n GLY 178 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k32 s GLU 179 N -0.12 1.65 -0.44 1.61 0.41 -0.11 -4.97 118.70 116.73 3k32 s GLU 179 Ca 0.00 0.15 0.03 0.00 -0.41 0.00 0.00 54.97 54.74 3k32 s GLU 179 Cb 0.00 -1.91 0.13 0.00 -1.78 0.00 0.00 34.13 30.57 3k32 s GLU 179 CO 0.00 -1.82 0.21 -1.54 -0.49 0.00 0.00 175.26 171.62 3k32 s SER 180 N -4.41 4.02 0.48 -0.19 1.04 -1.26 -3.98 113.70 109.40 3k32 s SER 180 Ca 0.63 -2.58 0.30 0.00 0.48 0.00 0.00 55.95 54.77 3k32 s SER 180 Cb -0.12 -1.27 1.38 0.00 0.10 0.00 0.00 66.02 66.12 3k32 s SER 180 CO 0.51 -0.28 1.78 -0.65 0.98 0.00 0.00 173.24 175.57 3k32 h PRO 181 N 6.91 0.14 -1.30 4.02 0.11 -1.91 0.18 132.00 140.15 3k32 h PRO 181 Ca -0.05 -0.01 0.42 0.00 0.11 0.00 0.00 66.00 66.47 3k32 h PRO 181 Cb 0.94 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 31.89 3k32 h PRO 181 CO 0.55 0.10 0.84 1.49 -0.21 0.00 0.00 178.00 180.77 3k32 h GLU 182 N 0.15 0.11 0.00 1.05 4.81 -1.94 0.25 114.58 119.01 3k32 h GLU 182 Ca 0.59 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.81 3k32 h GLU 182 Cb 2.02 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.37 3k32 h GLU 182 CO -0.14 0.07 -0.04 0.87 -0.73 0.00 0.00 179.01 179.05 3k32 h LYS 183 N 0.11 0.00 0.00 1.92 1.57 -1.08 -3.31 116.57 115.79 3k32 h LYS 183 Ca 0.79 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.57 3k32 h LYS 183 Cb 2.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.79 3k32 h LYS 183 CO -0.39 0.04 -0.80 0.66 -0.57 0.00 0.00 179.45 178.39 3k32 n TYR 184 N -3.14 0.00 -4.41 -1.35 4.02 0.69 -5.05 117.16 107.91 3k32 n TYR 184 Ca 0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.65 3k32 n TYR 184 Cb 0.34 -0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.55 3k32 n TYR 184 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3k32 s PHE 185 N -1.81 2.40 0.59 -0.72 0.40 -0.14 -4.60 117.98 114.10 3k32 s PHE 185 Ca -0.00 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 3k32 s PHE 185 Cb 0.00 -1.08 0.08 0.00 0.51 0.00 0.00 43.02 42.53 3k32 s PHE 185 CO 0.02 0.64 0.81 -1.25 0.70 0.00 0.00 175.22 176.15 3k32 s PRO 186 N -3.34 2.24 0.26 0.24 0.05 -1.26 -4.67 135.00 128.52 3k32 s PRO 186 Ca 0.28 -1.24 -0.19 0.00 0.05 0.00 0.00 61.00 59.91 3k32 s PRO 186 Cb -0.06 -2.54 -0.09 0.00 0.05 0.00 0.00 34.50 31.87 3k32 s PRO 186 CO 0.15 -0.92 0.74 -1.21 0.05 0.00 0.00 177.00 175.82 3k32 s GLU 187 N -4.78 4.20 0.58 4.56 8.01 -1.26 -5.06 118.70 124.94 3k32 s GLU 187 Ca 0.61 0.84 -0.17 0.00 0.01 0.00 0.00 54.97 56.26 3k32 s GLU 187 Cb -0.07 -2.74 -0.04 0.00 -4.31 0.00 0.00 34.13 26.97 3k32 s GLU 187 CO 0.40 0.31 1.08 -1.58 0.01 0.00 0.00 175.26 175.48 3k32 s HIS 188 N -1.67 2.86 -1.03 1.61 2.46 -1.26 -4.93 115.29 113.33 3k32 s HIS 188 Ca 0.47 1.54 0.13 0.00 0.47 0.00 0.00 55.06 57.67 3k32 s HIS 188 Cb -0.15 -3.10 0.58 0.00 -0.13 0.00 0.00 32.58 29.78 3k32 s HIS 188 CO 0.20 -1.27 1.42 1.17 -2.47 0.00 0.00 174.74 173.80 3k32 n LYS 189 N -1.79 0.01 -0.98 2.88 4.81 -1.26 -4.87 118.16 116.96 3k32 n LYS 189 Ca 0.10 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 3k32 n LYS 189 Cb 0.52 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.07 3k32 n LYS 189 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3k32 n GLN 190 N -1.49 -0.09 -3.01 1.64 -0.06 -1.26 -4.97 117.38 108.14 3k32 n GLN 190 Ca 0.03 0.02 -0.42 0.00 -2.00 0.00 0.00 57.00 54.64 3k32 n GLN 190 Cb 0.15 -2.95 -0.06 0.00 -4.06 0.00 0.00 30.24 23.33 3k32 n GLN 190 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3k32 s THR 191 N -2.67 4.78 -0.11 1.69 2.01 -1.26 -2.73 115.64 117.35 3k32 s THR 191 Ca 0.00 0.74 -0.10 0.00 0.31 0.00 0.00 61.69 62.64 3k32 s THR 191 Cb 0.00 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 3k32 s THR 191 CO 0.00 -0.42 0.21 -0.60 -0.69 0.00 0.00 174.62 173.12 3k32 s ARG 192 N 2.99 3.72 -0.24 4.92 3.52 0.14 -4.58 118.95 129.42 3k32 s ARG 192 Ca 0.29 -0.01 -0.29 0.00 -0.13 0.00 0.00 55.73 55.59 3k32 s ARG 192 Cb -0.13 -3.25 -0.02 0.00 -1.56 0.00 0.00 34.95 29.98 3k32 s ARG 192 CO 0.17 0.64 1.64 0.08 -0.81 0.00 0.00 175.30 177.01 3k32 s VAL 193 N -0.70 3.67 -0.48 7.11 1.01 -1.26 -1.92 120.40 127.82 3k32 s VAL 193 Ca 0.16 0.74 0.12 0.00 0.00 0.00 0.00 61.98 63.00 3k32 s VAL 193 Cb -0.13 -3.71 -0.14 0.00 0.00 0.00 0.00 36.38 32.41 3k32 s VAL 193 CO 0.05 -0.32 0.47 0.55 0.00 0.00 0.00 175.10 175.85 3k32 n VAL 194 N 6.55 0.00 0.00 2.92 3.14 0.34 -4.92 118.33 126.36 3k32 n VAL 194 Ca 0.19 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 3k32 n VAL 194 Cb 0.45 0.90 0.00 0.00 -1.06 0.00 0.00 33.84 34.13 3k32 n VAL 194 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3k32 n GLY 195 N 1.35 -0.13 3.67 7.55 0.00 -0.95 -4.91 105.19 111.77 3k32 n GLY 195 Ca 0.02 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 3k32 n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k32 s LEU 196 N 0.00 4.18 0.01 0.99 1.02 -1.26 -0.14 118.68 123.47 3k32 s LEU 196 Ca 0.00 0.88 -0.06 0.00 0.02 0.00 0.00 54.13 54.97 3k32 s LEU 196 Cb 0.00 -2.90 -0.03 0.00 0.02 0.00 0.00 46.19 43.27 3k32 s LEU 196 CO 0.00 -0.24 1.08 0.11 0.02 0.00 0.00 176.35 177.32 3k32 h LYS 197 N 7.33 -0.20 -6.08 1.70 1.57 -1.52 -3.44 116.57 115.94 3k32 h LYS 197 Ca -0.33 0.01 -0.52 0.00 -1.87 0.00 0.00 60.65 57.94 3k32 h LYS 197 Cb 1.15 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 3k32 h LYS 197 CO 0.77 -0.13 -0.41 0.21 -0.57 0.00 0.00 179.45 179.32 3k32 s LYS 198 N -3.43 2.42 -0.02 3.15 2.20 -1.26 -5.03 119.74 117.76 3k32 s LYS 198 Ca -0.03 -1.66 -0.22 0.00 -0.36 0.00 0.00 55.97 53.69 3k32 s LYS 198 Cb 0.00 -2.24 -0.05 0.00 -1.51 0.00 0.00 37.83 34.03 3k32 s LYS 198 CO 0.09 -0.20 0.67 -2.00 -0.36 0.00 0.00 175.35 173.54 3k32 s GLU 199 N -4.08 4.40 0.00 4.03 -6.30 -1.26 -4.99 118.70 110.50 3k32 s GLU 199 Ca 0.45 0.84 0.00 0.00 -2.50 0.00 0.00 54.97 53.77 3k32 s GLU 199 Cb -0.01 -3.39 0.00 0.00 0.00 0.00 0.00 34.13 30.73 3k32 s GLU 199 CO 0.26 0.22 0.22 -0.89 0.02 0.00 0.00 175.26 175.09