#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v72 s GLU 3 N 0.00 0.71 -0.02 0.00 2.12 -1.26 -5.09 118.70 115.16 2v72 s GLU 3 Ca 0.00 -0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.23 2v72 s GLU 3 Cb 0.00 0.32 -0.00 0.00 0.26 0.00 0.00 34.13 34.71 2v72 s GLU 3 CO 0.00 -0.20 -0.11 0.99 -0.54 0.00 0.00 175.26 175.40 2v72 s THR 4 N -1.28 0.95 -0.16 -1.70 2.01 -1.26 -4.97 115.64 109.23 2v72 s THR 4 Ca -0.13 -0.47 -0.22 0.00 0.31 0.00 0.00 61.69 61.18 2v72 s THR 4 Cb -0.05 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 2v72 s THR 4 CO 0.05 0.28 0.65 0.00 -0.69 0.00 0.00 174.62 174.92 2v72 s ALA 5 N 0.03 3.49 0.03 7.40 0.00 -1.26 0.39 121.76 131.84 2v72 s ALA 5 Ca -0.01 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 2v72 s ALA 5 Cb -0.08 -2.97 -0.06 0.00 0.00 0.00 0.00 23.12 20.01 2v72 s ALA 5 CO 0.00 -0.42 1.44 0.42 0.00 0.00 0.00 175.76 177.20 2v72 s ILE 6 N 1.60 3.53 0.17 0.00 1.01 -0.32 -4.95 121.20 122.24 2v72 s ILE 6 Ca 0.31 0.96 -0.33 0.00 0.00 0.00 0.00 60.65 61.60 2v72 s ILE 6 Cb -0.16 -3.62 -0.13 0.00 0.01 0.00 0.00 42.46 38.56 2v72 s ILE 6 CO 0.12 0.01 1.67 -2.65 0.00 0.00 0.00 174.94 174.09 2v72 n PRO 7 N 5.19 2.45 0.24 2.79 -0.02 -1.26 -4.66 135.00 139.73 2v72 n PRO 7 Ca 0.13 0.89 0.11 0.00 -2.02 0.00 0.00 63.50 62.61 2v72 n PRO 7 Cb 0.43 -2.70 0.60 0.00 -0.02 0.00 0.00 33.50 31.81 2v72 n PRO 7 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2v72 h GLN 8 N 6.57 0.00 0.00 -0.52 4.20 -1.92 -2.29 115.11 121.15 2v72 h GLN 8 Ca -0.44 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.26 2v72 h GLN 8 Cb 1.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 2v72 h GLN 8 CO 0.92 0.18 -0.05 0.66 -0.67 0.00 0.00 178.83 179.87 2v72 h SER 9 N 0.00 0.00 0.21 1.46 4.64 -1.89 -0.41 113.55 117.56 2v72 h SER 9 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2v72 h SER 9 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2v72 h SER 9 CO 0.02 0.05 -0.10 -0.62 -0.87 0.00 0.00 176.83 175.31 2v72 n GLU 10 N -3.27 0.97 -3.89 4.77 1.02 -0.86 -4.88 120.64 114.50 2v72 n GLU 10 Ca -0.01 -0.42 -0.23 0.00 -0.02 0.00 0.00 57.16 56.48 2v72 n GLU 10 Cb 0.23 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 2v72 n GLU 10 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2v72 s MET 11 N -2.32 3.45 0.02 3.49 -1.94 -0.16 -3.44 119.30 118.40 2v72 s MET 11 Ca 0.32 -0.65 0.02 0.00 -1.71 0.00 0.00 55.69 53.67 2v72 s MET 11 Cb 0.20 -2.89 -0.01 0.00 2.01 0.00 0.00 34.83 34.14 2v72 s MET 11 CO 0.44 0.43 -0.07 0.95 -0.01 0.00 0.00 175.02 176.76 2v72 s THR 12 N -1.94 0.49 0.18 2.05 -4.23 -1.00 -5.01 115.64 106.18 2v72 s THR 12 Ca 0.35 -0.69 0.10 0.00 -1.18 0.00 0.00 61.69 60.27 2v72 s THR 12 Cb -0.10 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 2v72 s THR 12 CO 0.29 -0.15 -0.21 0.00 -0.54 0.00 0.00 174.62 174.01 2v72 s ALA 13 N -0.81 2.30 -0.07 3.99 0.00 -1.26 -1.05 121.76 124.85 2v72 s ALA 13 Ca -0.05 -1.58 -0.15 0.00 0.00 0.00 0.00 51.96 50.18 2v72 s ALA 13 Cb -0.06 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.83 2v72 s ALA 13 CO 0.00 0.34 0.37 0.45 0.00 0.00 0.00 175.76 176.92 2v72 s SER 14 N -2.69 -0.31 0.03 0.00 0.15 0.06 -4.59 113.70 106.35 2v72 s SER 14 Ca 0.19 0.43 -0.03 0.00 0.70 0.00 0.00 55.95 57.24 2v72 s SER 14 Cb -0.07 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.76 2v72 s SER 14 CO 0.09 -0.32 0.03 0.00 1.20 0.00 0.00 173.24 174.24 2v72 s ALA 15 N -0.64 0.11 -0.48 5.45 0.00 -1.26 0.13 121.76 125.07 2v72 s ALA 15 Ca -0.07 -0.70 0.23 0.00 0.00 0.00 0.00 51.96 51.42 2v72 s ALA 15 Cb -0.04 0.22 0.39 0.00 0.00 0.00 0.00 23.12 23.69 2v72 s ALA 15 CO 0.03 -0.28 1.59 1.79 0.00 0.00 0.00 175.76 178.89 2v72 h THR 16 N 3.86 0.00 -3.04 0.00 1.35 -1.86 -3.43 112.91 109.78 2v72 h THR 16 Ca -0.33 -0.91 -0.19 0.00 -0.55 0.00 0.00 66.41 64.43 2v72 h THR 16 Cb 1.18 1.86 -0.29 0.00 -1.73 0.00 0.00 68.15 69.17 2v72 h THR 16 CO 0.51 0.00 -0.48 -0.55 -0.25 0.00 0.00 175.52 174.75 2v72 s SER 17 N -5.84 -0.26 -0.18 5.36 0.15 -1.26 -4.99 113.70 106.67 2v72 s SER 17 Ca 0.07 0.52 -0.11 0.00 0.70 0.00 0.00 55.95 57.13 2v72 s SER 17 Cb 0.07 0.41 0.06 0.00 -1.71 0.00 0.00 66.02 64.85 2v72 s SER 17 CO 0.67 -0.16 0.44 -1.83 1.20 0.00 0.00 173.24 173.56 2v72 s GLU 18 N 1.14 0.44 0.33 5.44 -1.05 -1.26 -4.23 118.70 119.51 2v72 s GLU 18 Ca -0.08 0.81 -0.29 0.00 -0.15 0.00 0.00 54.97 55.26 2v72 s GLU 18 Cb -0.09 0.02 -0.10 0.00 -0.44 0.00 0.00 34.13 33.52 2v72 s GLU 18 CO -0.08 -0.15 1.31 -2.00 0.95 0.00 0.00 175.26 175.30 2v72 s GLU 19 N 1.27 4.35 0.27 -4.83 2.56 -0.13 -4.50 118.70 117.69 2v72 s GLU 19 Ca -0.08 2.22 0.01 0.00 0.00 0.00 0.00 54.97 57.11 2v72 s GLU 19 Cb -0.07 -3.06 0.60 0.00 2.00 0.00 0.00 34.13 33.59 2v72 s GLU 19 CO -0.12 -0.20 1.74 0.78 -0.56 0.00 0.00 175.26 176.91 2v72 h GLY 20 N 3.36 1.45 2.00 -1.50 0.00 -1.95 0.13 103.07 106.56 2v72 h GLY 20 Ca -0.49 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 46.52 2v72 h GLY 20 CO 0.65 -0.11 -0.40 -1.61 0.00 0.00 0.00 176.54 175.08 2v72 h GLN 21 N 0.57 0.00 -2.24 4.80 4.15 -1.97 -3.37 115.11 117.05 2v72 h GLN 21 Ca 0.50 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 59.30 2v72 h GLN 21 Cb 0.79 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 28.07 2v72 h GLN 21 CO -0.41 0.40 -0.50 -0.25 -1.93 0.00 0.00 178.83 176.14 2v72 n ASP 22 N -3.77 3.99 -4.83 -0.69 8.00 0.45 -4.92 116.55 114.78 2v72 n ASP 22 Ca -0.01 -3.46 -0.30 0.00 0.71 0.00 0.00 54.79 51.73 2v72 n ASP 22 Cb 0.47 -0.71 0.06 0.00 -0.02 0.00 0.00 41.12 40.93 2v72 n ASP 22 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2v72 s PRO 23 N -2.55 2.63 0.39 -0.24 0.04 -1.18 -2.60 135.00 131.48 2v72 s PRO 23 Ca 0.40 0.75 0.17 0.00 0.04 0.00 0.00 61.00 62.35 2v72 s PRO 23 Cb 0.15 -1.97 1.07 0.00 0.04 0.00 0.00 34.50 33.78 2v72 s PRO 23 CO -0.01 -1.26 1.77 0.00 0.04 0.00 0.00 177.00 177.54 2v72 h ALA 24 N -0.83 2.16 0.00 8.56 0.00 -1.90 -1.62 119.26 125.63 2v72 h ALA 24 Ca -0.45 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2v72 h ALA 24 Cb 1.24 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2v72 h ALA 24 CO 0.59 -0.58 -0.08 0.66 0.00 0.00 0.00 179.25 179.84 2v72 h SER 25 N 0.43 0.00 0.73 0.00 4.64 -1.92 -1.86 113.55 115.57 2v72 h SER 25 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 2v72 h SER 25 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2v72 h SER 25 CO -0.32 0.08 0.00 -1.20 -0.87 0.00 0.00 176.83 174.52 2v72 n SER 26 N -3.47 0.00 0.15 4.97 7.64 -0.61 -2.32 113.62 119.98 2v72 n SER 26 Ca -0.02 0.46 0.13 0.00 1.01 0.00 0.00 58.87 60.46 2v72 n SER 26 Cb 0.22 -0.49 0.37 0.00 -1.01 0.00 0.00 64.21 63.30 2v72 n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2v72 h ALA 27 N 2.78 1.00 -0.35 -0.43 0.00 -1.47 -3.36 119.26 117.42 2v72 h ALA 27 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2v72 h ALA 27 Cb 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.83 2v72 h ALA 27 CO 0.00 0.00 -0.89 0.44 0.00 0.00 0.00 179.25 178.80 2v72 n ILE 28 N -2.52 1.57 0.02 0.00 -5.35 -0.98 -0.37 119.36 111.73 2v72 n ILE 28 Ca 0.05 -2.97 0.06 0.00 -0.27 0.00 0.00 62.75 59.62 2v72 n ILE 28 Cb 0.43 0.21 0.14 0.00 -1.74 0.00 0.00 39.64 38.68 2v72 n ILE 28 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2v72 n ASP 29 N -0.51 2.75 -0.22 7.28 5.75 -1.23 -4.69 116.55 125.69 2v72 n ASP 29 Ca 0.20 -1.86 -0.03 0.00 -0.01 0.00 0.00 54.79 53.09 2v72 n ASP 29 Cb 0.90 -0.18 -0.01 0.00 -1.03 0.00 0.00 41.12 40.79 2v72 n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2v72 n GLY 30 N 0.67 0.56 3.07 6.12 0.00 -1.26 -4.99 105.19 109.36 2v72 n GLY 30 Ca 0.11 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2v72 n GLY 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2v72 s ASN 31 N -2.33 3.16 0.00 1.61 3.84 -1.26 -5.01 114.94 114.95 2v72 s ASN 31 Ca 0.00 -0.71 0.26 0.00 0.21 0.00 0.00 52.86 52.62 2v72 s ASN 31 Cb 0.00 -1.37 1.27 0.00 -0.55 0.00 0.00 41.25 40.60 2v72 s ASN 31 CO 0.00 -0.05 1.87 2.30 -2.79 0.00 0.00 177.10 178.43 2v72 n ILE 32 N 4.65 0.18 0.56 -5.21 -5.35 -1.26 -2.88 119.36 110.05 2v72 n ILE 32 Ca -0.18 0.04 0.12 0.00 -0.27 0.00 0.00 62.75 62.46 2v72 n ILE 32 Cb 0.49 -0.61 0.20 0.00 -1.74 0.00 0.00 39.64 37.97 2v72 n ILE 32 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2v72 h ASN 33 N 0.00 0.00 -3.48 7.28 2.35 -1.95 -3.36 115.58 116.42 2v72 h ASN 33 Ca 0.00 -0.17 -0.67 0.00 -0.55 0.00 0.00 56.30 54.90 2v72 h ASN 33 Cb 0.28 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.47 2v72 h ASN 33 CO 0.00 0.09 -0.67 0.42 -1.65 0.00 0.00 177.43 175.62 2v72 s THR 34 N -3.17 3.94 0.15 2.81 -4.23 -1.14 -5.02 115.64 108.99 2v72 s THR 34 Ca 0.07 -0.38 0.06 0.00 -1.18 0.00 0.00 61.69 60.25 2v72 s THR 34 Cb 0.13 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 2v72 s THR 34 CO 0.71 0.58 -0.13 0.00 -0.54 0.00 0.00 174.62 175.24 2v72 s MET 35 N -0.58 1.11 0.14 3.99 0.23 -1.26 -4.51 119.30 118.41 2v72 s MET 35 Ca 0.09 -1.41 -0.26 0.00 -1.03 0.00 0.00 55.69 53.09 2v72 s MET 35 Cb -0.12 -0.85 -0.07 0.00 -1.53 0.00 0.00 34.83 32.26 2v72 s MET 35 CO 0.02 0.14 0.79 -0.46 -2.03 0.00 0.00 175.02 173.48 2v72 s TRP 36 N -2.80 3.86 -0.17 3.16 -0.00 0.10 -4.16 118.94 118.93 2v72 s TRP 36 Ca 0.15 1.62 -0.15 0.00 -0.00 0.00 0.00 56.10 57.72 2v72 s TRP 36 Cb -0.01 -2.81 0.05 0.00 -0.00 0.00 0.00 33.47 30.70 2v72 s TRP 36 CO 0.03 0.43 0.45 -1.58 -0.00 0.00 0.00 176.95 176.28 2v72 s HIS 37 N -0.80 -0.52 1.04 5.86 5.65 -1.07 -1.10 115.29 124.35 2v72 s HIS 37 Ca 0.37 1.23 -0.12 0.00 0.25 0.00 0.00 55.06 56.79 2v72 s HIS 37 Cb -0.23 0.19 0.21 0.00 -1.18 0.00 0.00 32.58 31.57 2v72 s HIS 37 CO 0.26 -0.26 1.07 0.95 -0.65 0.00 0.00 174.74 176.12 2v72 s THR 38 N 0.42 2.15 0.10 0.89 -4.23 -0.51 -0.96 115.64 113.50 2v72 s THR 38 Ca -0.01 0.05 -0.31 0.00 -1.18 0.00 0.00 61.69 60.23 2v72 s THR 38 Cb -0.04 -2.37 -0.08 0.00 1.34 0.00 0.00 72.50 71.35 2v72 s THR 38 CO -0.02 -0.06 1.44 -1.59 -0.54 0.00 0.00 174.62 173.85 2v72 s LYS 39 N -4.77 4.29 0.55 3.99 -2.85 -1.26 -3.91 119.74 115.77 2v72 s LYS 39 Ca 0.66 2.12 0.26 0.00 -1.00 0.00 0.00 55.97 58.01 2v72 s LYS 39 Cb -0.21 -3.32 1.45 0.00 -2.06 0.00 0.00 37.83 33.70 2v72 s LYS 39 CO 0.60 -0.51 2.02 -1.49 0.10 0.00 0.00 175.35 176.07 2v72 h TRP 40 N 7.10 0.00 0.00 1.78 4.06 -1.94 -1.61 115.95 125.35 2v72 h TRP 40 Ca -0.42 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.53 2v72 h TRP 40 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 2v72 h TRP 40 CO 0.68 0.00 0.00 0.27 -3.56 0.00 0.00 178.44 175.83 2v72 n ASN 41 N -4.19 0.00 -0.90 -3.49 2.04 -1.26 -4.88 115.26 102.58 2v72 n ASN 41 Ca 0.07 -0.90 -0.11 0.00 -0.44 0.00 0.00 54.58 53.19 2v72 n ASN 41 Cb 0.50 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.71 2v72 n ASN 41 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2v72 n GLY 42 N 0.51 1.10 0.12 4.83 0.00 -0.60 -4.90 105.19 106.24 2v72 n GLY 42 Ca 0.16 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.67 2v72 n GLY 42 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2v72 h SER 43 N 0.00 0.00 -3.58 1.61 4.64 -1.90 -3.37 113.55 110.94 2v72 h SER 43 Ca -0.23 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 60.30 2v72 h SER 43 Cb 0.78 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.60 2v72 h SER 43 CO 0.33 0.64 0.37 -1.81 -0.87 0.00 0.00 176.83 175.49 2v72 s ASP 44 N -6.54 7.11 0.56 4.97 1.01 -1.26 -5.05 116.67 117.48 2v72 s ASP 44 Ca 0.03 -3.24 -0.21 0.00 0.71 0.00 0.00 52.55 49.84 2v72 s ASP 44 Cb 0.09 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 2v72 s ASP 44 CO 0.76 -0.42 1.36 0.00 0.21 0.00 0.00 175.17 177.09 2v72 s ALA 45 N -0.60 2.75 0.68 5.23 0.00 -1.26 -4.90 121.76 123.67 2v72 s ALA 45 Ca 0.27 1.34 -0.15 0.00 0.00 0.00 0.00 51.96 53.42 2v72 s ALA 45 Cb -0.10 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.46 2v72 s ALA 45 CO -0.08 -1.45 1.14 -0.51 0.00 0.00 0.00 175.76 174.86 2v72 s LEU 46 N -3.67 3.36 0.33 0.00 1.43 -1.26 -4.49 118.68 114.38 2v72 s LEU 46 Ca 0.74 2.11 -0.28 0.00 -1.03 0.00 0.00 54.13 55.66 2v72 s LEU 46 Cb -0.41 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.15 2v72 s LEU 46 CO 0.47 -1.83 1.25 -2.16 0.23 0.00 0.00 176.35 174.31 2v72 s PRO 47 N -4.04 4.35 0.17 1.29 0.04 -1.26 -5.04 135.00 130.51 2v72 s PRO 47 Ca 0.69 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.86 2v72 s PRO 47 Cb -0.23 -3.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 2v72 s PRO 47 CO 0.43 -0.14 -0.08 -0.65 0.04 0.00 0.00 177.00 176.59 2v72 s GLN 48 N -1.81 1.15 0.06 4.56 -1.52 -1.10 -4.98 119.66 116.02 2v72 s GLN 48 Ca 0.49 -1.51 -0.01 0.00 -1.95 0.00 0.00 55.36 52.38 2v72 s GLN 48 Cb -0.37 -0.66 -0.04 0.00 -0.22 0.00 0.00 33.01 31.72 2v72 s GLN 48 CO 0.49 0.05 -0.01 -1.54 -0.25 0.00 0.00 175.29 174.02 2v72 s SER 49 N -3.21 0.45 -0.13 5.90 1.04 -1.26 -0.47 113.70 116.02 2v72 s SER 49 Ca 0.20 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.63 2v72 s SER 49 Cb 0.03 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.38 2v72 s SER 49 CO 0.03 -0.62 -0.16 -0.22 0.98 0.00 0.00 173.24 173.25 2v72 s LEU 50 N -2.93 1.77 -0.14 2.42 2.96 0.25 -2.31 118.68 120.69 2v72 s LEU 50 Ca 0.09 -0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 53.46 2v72 s LEU 50 Cb 0.08 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 2v72 s LEU 50 CO -0.09 -0.01 0.04 -0.44 -1.32 0.00 0.00 176.35 174.53 2v72 s SER 51 N 1.21 5.48 -0.21 3.68 0.01 0.12 -0.75 113.70 123.23 2v72 s SER 51 Ca -0.01 0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.38 2v72 s SER 51 Cb -0.14 -1.80 0.04 0.00 0.21 0.00 0.00 66.02 64.34 2v72 s SER 51 CO -0.06 0.26 -0.11 -0.69 0.41 0.00 0.00 173.24 173.06 2v72 s VAL 52 N -0.19 1.71 0.16 3.43 1.01 0.81 -0.76 120.40 126.58 2v72 s VAL 52 Ca 0.07 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 2v72 s VAL 52 Cb -0.12 -1.79 -0.07 0.00 0.00 0.00 0.00 36.38 34.40 2v72 s VAL 52 CO 0.02 0.15 0.90 0.21 0.00 0.00 0.00 175.10 176.38 2v72 s ASN 53 N 1.36 7.51 0.00 3.32 3.84 -0.22 -0.76 114.94 129.99 2v72 s ASN 53 Ca -0.02 1.79 0.23 0.00 0.21 0.00 0.00 52.86 55.07 2v72 s ASN 53 Cb -0.17 -2.57 0.21 0.00 -0.55 0.00 0.00 41.25 38.17 2v72 s ASN 53 CO -0.08 0.07 1.21 0.18 -2.79 0.00 0.00 177.10 175.69 2v72 n LEU 54 N 2.11 0.89 0.00 3.21 4.77 0.14 -2.38 117.00 125.74 2v72 n LEU 54 Ca -0.01 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 2v72 n LEU 54 Cb 0.48 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2v72 n LEU 54 CO 0.49 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2v72 n GLY 55 N 1.47 2.94 2.65 -0.72 0.00 -1.22 -4.54 105.19 105.78 2v72 n GLY 55 Ca 0.06 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 2v72 n GLY 55 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2v72 n LYS 56 N 0.00 0.55 -2.22 1.61 2.85 -1.26 -5.12 118.16 114.57 2v72 n LYS 56 Ca 0.00 -2.20 -0.42 0.00 -1.05 0.00 0.00 58.31 54.63 2v72 n LYS 56 Cb 0.00 2.12 -0.03 0.00 -0.65 0.00 0.00 35.03 36.48 2v72 n LYS 56 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2v72 s ALA 57 N -2.52 3.62 0.27 0.58 0.00 -1.26 -4.32 121.76 118.12 2v72 s ALA 57 Ca 0.23 0.76 0.11 0.00 0.00 0.00 0.00 51.96 53.06 2v72 s ALA 57 Cb -0.01 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 2v72 s ALA 57 CO 0.16 -1.16 -0.19 1.03 0.00 0.00 0.00 175.76 175.61 2v72 s ARG 58 N 3.31 1.61 -0.56 0.00 1.81 -0.57 -4.96 118.95 119.59 2v72 s ARG 58 Ca 0.64 -1.74 -0.02 0.00 -1.72 0.00 0.00 55.73 52.89 2v72 s ARG 58 Cb -0.29 -1.64 0.15 0.00 -0.45 0.00 0.00 34.95 32.72 2v72 s ARG 58 CO 0.23 0.30 0.36 0.15 -0.68 0.00 0.00 175.30 175.67 2v72 s LYS 59 N -3.54 2.37 -0.16 3.54 1.02 -1.26 -1.11 119.74 120.60 2v72 s LYS 59 Ca 0.28 -2.37 -0.20 0.00 0.02 0.00 0.00 55.97 53.71 2v72 s LYS 59 Cb -0.04 -3.65 -0.03 0.00 -0.52 0.00 0.00 37.83 33.59 2v72 s LYS 59 CO 0.13 -1.14 0.55 0.14 -0.92 0.00 0.00 175.35 174.12 2v72 s VAL 60 N 0.19 5.10 -0.10 3.17 -7.23 0.17 -4.44 120.40 117.27 2v72 s VAL 60 Ca 0.15 1.07 0.21 0.00 -1.81 0.00 0.00 61.98 61.60 2v72 s VAL 60 Cb -0.21 -3.88 -0.27 0.00 0.56 0.00 0.00 36.38 32.58 2v72 s VAL 60 CO -0.03 0.22 0.48 -1.54 -0.31 0.00 0.00 175.10 173.91 2v72 n SER 61 N 4.38 0.16 -3.54 4.85 3.41 -0.05 -0.95 113.62 121.88 2v72 n SER 61 Ca -0.04 0.07 -0.11 0.00 -0.26 0.00 0.00 58.87 58.53 2v72 n SER 61 Cb 0.51 1.47 -0.02 0.00 -0.26 0.00 0.00 64.21 65.90 2v72 n SER 61 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2v72 s SER 62 N -4.93 -0.48 -0.03 4.04 1.04 -1.17 0.54 113.70 112.71 2v72 s SER 62 Ca -0.07 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.20 2v72 s SER 62 Cb 0.11 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.89 2v72 s SER 62 CO 0.87 -1.06 -0.01 -0.63 0.98 0.00 0.00 173.24 173.40 2v72 s ILE 63 N -3.78 0.23 -0.25 -1.02 1.01 0.42 -0.95 121.20 116.86 2v72 s ILE 63 Ca 0.04 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 2v72 s ILE 63 Cb -0.02 -0.32 -0.01 0.00 0.01 0.00 0.00 42.46 42.12 2v72 s ILE 63 CO -0.08 0.16 0.04 0.00 0.00 0.00 0.00 174.94 175.06 2v72 s ALA 64 N 1.03 3.04 -0.44 9.38 0.00 -0.70 -1.07 121.76 133.01 2v72 s ALA 64 Ca -0.10 -1.23 -0.11 0.00 0.00 0.00 0.00 51.96 50.53 2v72 s ALA 64 Cb -0.14 -2.00 0.08 0.00 0.00 0.00 0.00 23.12 21.07 2v72 s ALA 64 CO -0.01 -0.59 0.30 0.42 0.00 0.00 0.00 175.76 175.88 2v72 s ILE 65 N 1.55 4.45 -0.36 0.00 1.09 0.73 -1.98 121.20 126.67 2v72 s ILE 65 Ca 0.05 -1.38 -0.22 0.00 -1.10 0.00 0.00 60.65 58.01 2v72 s ILE 65 Cb -0.15 -3.73 0.01 0.00 -1.06 0.00 0.00 42.46 37.52 2v72 s ILE 65 CO 0.01 -0.56 0.71 -0.89 -0.10 0.00 0.00 174.94 174.12 2v72 s THR 66 N 1.46 4.80 1.10 2.92 2.01 0.05 -1.01 115.64 126.98 2v72 s THR 66 Ca 0.03 0.72 -0.14 0.00 0.31 0.00 0.00 61.69 62.61 2v72 s THR 66 Cb -0.24 -4.15 0.24 0.00 0.01 0.00 0.00 72.50 68.36 2v72 s THR 66 CO 0.03 -0.39 1.07 -2.84 -0.69 0.00 0.00 174.62 171.80 2v72 s PRO 67 N 2.92 -0.36 0.26 4.92 0.02 -1.26 -0.84 135.00 140.66 2v72 s PRO 67 Ca 0.28 0.44 -0.31 0.00 0.02 0.00 0.00 61.00 61.43 2v72 s PRO 67 Cb -0.14 -1.65 -0.13 0.00 0.02 0.00 0.00 34.50 32.61 2v72 s PRO 67 CO 0.16 -3.25 1.52 2.89 -0.33 0.00 0.00 177.00 177.99 2v72 n ARG 68 N -4.52 2.37 0.22 5.54 1.85 -1.26 -4.30 116.66 116.55 2v72 n ARG 68 Ca 0.06 0.85 0.15 0.00 -1.00 0.00 0.00 57.85 57.91 2v72 n ARG 68 Cb 0.57 -2.57 0.67 0.00 -1.05 0.00 0.00 32.46 30.08 2v72 n ARG 68 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2v72 h THR 69 N 3.25 0.00 -2.73 8.89 1.03 -1.93 -3.44 112.91 117.98 2v72 h THR 69 Ca -0.46 -0.29 -0.10 0.00 -0.01 0.00 0.00 66.41 65.55 2v72 h THR 69 Cb 1.25 1.14 -0.20 0.00 -1.07 0.00 0.00 68.15 69.27 2v72 h THR 69 CO 0.79 0.00 -0.14 -0.55 -0.01 0.00 0.00 175.52 175.61 2v72 s SER 70 N -4.91 -0.33 0.06 0.00 0.15 -1.26 -5.10 113.70 102.31 2v72 s SER 70 Ca 0.01 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2v72 s SER 70 Cb 0.09 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2v72 s SER 70 CO 0.43 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2v72 n GLY 71 N 1.17 -2.20 0.00 9.45 0.00 -1.26 -4.90 105.19 107.45 2v72 n GLY 71 Ca -0.21 -1.44 0.01 0.00 0.00 0.00 0.00 46.02 44.38 2v72 n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2v72 n ASN 72 N -2.59 1.71 -4.68 1.61 2.04 -1.26 -4.87 115.26 107.21 2v72 n ASN 72 Ca -0.01 -0.34 -0.49 0.00 -0.44 0.00 0.00 54.58 53.30 2v72 n ASN 72 Cb 0.08 1.02 -0.05 0.00 -2.53 0.00 0.00 39.78 38.29 2v72 n ASN 72 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2v72 n ASN 73 N -1.21 3.11 0.00 0.53 3.02 -1.26 -1.68 115.26 117.77 2v72 n ASN 73 Ca 0.00 1.02 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 2v72 n ASN 73 Cb 0.02 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 37.85 2v72 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2v72 n GLY 74 N 4.05 0.75 3.58 7.41 0.00 0.21 -4.55 105.19 116.64 2v72 n GLY 74 Ca 0.22 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.73 2v72 n GLY 74 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2v72 n PHE 75 N -2.29 1.94 -2.48 1.61 0.99 -0.68 -0.84 117.46 115.71 2v72 n PHE 75 Ca 0.00 0.20 -0.42 0.00 -0.00 0.00 0.00 57.45 57.22 2v72 n PHE 75 Cb 0.00 -2.58 -0.03 0.00 -1.00 0.00 0.00 39.48 35.87 2v72 n PHE 75 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 2v72 s ILE 76 N 5.76 4.29 -0.13 4.37 1.01 -1.26 -1.48 121.20 133.76 2v72 s ILE 76 Ca 1.02 1.62 0.13 0.00 0.00 0.00 0.00 60.65 63.42 2v72 s ILE 76 Cb -0.80 -4.04 -0.19 0.00 0.01 0.00 0.00 42.46 37.44 2v72 s ILE 76 CO 0.52 0.03 0.09 0.35 0.00 0.00 0.00 174.94 175.92 2v72 n THR 77 N 4.43 0.89 -4.16 2.92 -2.24 0.04 -4.45 114.28 111.72 2v72 n THR 77 Ca 0.10 -0.60 -0.20 0.00 -2.27 0.00 0.00 64.05 61.09 2v72 n THR 77 Cb 0.47 -0.52 -0.16 0.00 -2.10 0.00 0.00 70.33 68.02 2v72 n THR 77 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2v72 s LYS 78 N -2.45 0.80 0.11 -0.78 2.20 -1.02 0.42 119.74 119.02 2v72 s LYS 78 Ca -0.07 -0.10 -0.02 0.00 -0.36 0.00 0.00 55.97 55.42 2v72 s LYS 78 Cb 0.05 -0.81 -0.04 0.00 -1.51 0.00 0.00 37.83 35.53 2v72 s LYS 78 CO 0.61 -0.08 0.05 1.52 -0.36 0.00 0.00 175.35 177.09 2v72 s TYR 79 N 0.88 0.74 0.03 4.03 -0.85 -0.84 -0.53 117.35 120.81 2v72 s TYR 79 Ca -0.12 -1.16 0.02 0.00 -0.52 0.00 0.00 57.07 55.29 2v72 s TYR 79 Cb -0.14 -0.43 -0.02 0.00 0.38 0.00 0.00 41.96 41.75 2v72 s TYR 79 CO 0.00 -0.49 -0.07 -1.21 -1.52 0.00 0.00 175.55 172.26 2v72 s GLU 80 N -4.01 0.50 -0.11 -3.49 2.02 -0.81 -2.51 118.70 110.29 2v72 s GLU 80 Ca 0.19 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.58 2v72 s GLU 80 Cb 0.07 -0.32 0.02 0.00 0.10 0.00 0.00 34.13 34.00 2v72 s GLU 80 CO -0.01 0.06 -0.14 0.42 0.02 0.00 0.00 175.26 175.61 2v72 s ILE 81 N -1.07 1.46 0.07 -1.63 1.01 0.17 -1.39 121.20 119.82 2v72 s ILE 81 Ca -0.07 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.05 2v72 s ILE 81 Cb -0.08 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 2v72 s ILE 81 CO 0.00 0.43 -0.20 -1.00 0.00 0.00 0.00 174.94 174.18 2v72 s HIS 82 N 1.08 2.51 0.05 3.97 3.76 -0.83 -0.38 115.29 125.46 2v72 s HIS 82 Ca -0.05 -0.28 0.06 0.00 -0.15 0.00 0.00 55.06 54.64 2v72 s HIS 82 Cb -0.14 -1.40 -0.03 0.00 1.11 0.00 0.00 32.58 32.11 2v72 s HIS 82 CO -0.03 0.29 -0.14 0.00 -0.85 0.00 0.00 174.74 174.01 2v72 s ALA 83 N -1.00 2.77 -0.22 -1.40 0.00 -0.08 -1.07 121.76 120.76 2v72 s ALA 83 Ca 0.15 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 2v72 s ALA 83 Cb -0.10 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.17 2v72 s ALA 83 CO 0.07 0.60 -0.08 0.42 0.00 0.00 0.00 175.76 176.77 2v72 s ILE 84 N -1.02 2.95 -0.18 0.00 1.09 -0.08 -0.98 121.20 122.98 2v72 s ILE 84 Ca 0.17 -0.77 -0.05 0.00 -1.10 0.00 0.00 60.65 58.91 2v72 s ILE 84 Cb -0.11 -2.38 0.07 0.00 -1.06 0.00 0.00 42.46 38.98 2v72 s ILE 84 CO 0.08 0.36 0.14 0.21 -0.10 0.00 0.00 174.94 175.63 2v72 s ASN 85 N 1.39 1.93 -1.26 3.58 2.47 0.18 -0.33 114.94 122.89 2v72 s ASN 85 Ca 0.04 -0.43 -0.03 0.00 0.42 0.00 0.00 52.86 52.86 2v72 s ASN 85 Cb -0.15 0.00 0.00 0.00 -1.45 0.00 0.00 41.25 39.66 2v72 s ASN 85 CO -0.06 -0.34 1.04 -3.20 -3.72 0.00 0.00 177.10 170.83 2v72 n ASN 86 N 5.30 -3.34 -3.40 -4.21 5.15 -1.26 -0.40 115.26 113.10 2v72 n ASN 86 Ca -0.06 -0.61 -0.33 0.00 -0.60 0.00 0.00 54.58 52.98 2v72 n ASN 86 Cb 0.49 -5.04 -0.02 0.00 -0.53 0.00 0.00 39.78 34.68 2v72 n ASN 86 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2v72 n GLY 87 N -1.42 5.53 3.74 8.20 0.00 -1.26 -5.08 105.19 114.90 2v72 n GLY 87 Ca -0.20 -2.71 -0.40 0.00 0.00 0.00 0.00 46.02 42.71 2v72 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2v72 s VAL 88 N -3.77 4.70 -0.17 1.61 1.01 0.46 -5.02 120.40 119.23 2v72 s VAL 88 Ca 0.42 1.78 -0.10 0.00 0.00 0.00 0.00 61.98 64.08 2v72 s VAL 88 Cb 0.19 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2v72 s VAL 88 CO -0.07 0.33 0.16 -0.70 0.00 0.00 0.00 175.10 174.81 2v72 s GLU 89 N 0.10 3.95 -0.11 2.72 2.12 -1.26 0.48 118.70 126.70 2v72 s GLU 89 Ca 0.42 -0.14 -0.06 0.00 0.36 0.00 0.00 54.97 55.54 2v72 s GLU 89 Cb -0.21 -3.34 0.05 0.00 0.26 0.00 0.00 34.13 30.88 2v72 s GLU 89 CO 0.25 0.46 0.27 -0.08 -0.54 0.00 0.00 175.26 175.62 2v72 s THR 90 N -0.11 -0.03 0.09 -1.70 -1.32 -0.16 -4.97 115.64 107.44 2v72 s THR 90 Ca 0.11 0.12 -0.31 0.00 -1.21 0.00 0.00 61.69 60.41 2v72 s THR 90 Cb -0.12 -0.42 -0.09 0.00 -1.51 0.00 0.00 72.50 70.37 2v72 s THR 90 CO 0.01 0.05 1.62 -0.22 -2.21 0.00 0.00 174.62 173.87 2v72 s LEU 91 N 1.15 4.36 0.00 9.08 2.96 -1.26 -0.90 118.68 134.07 2v72 s LEU 91 Ca -0.08 2.50 0.00 0.00 -0.22 0.00 0.00 54.13 56.33 2v72 s LEU 91 Cb -0.09 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.03 2v72 s LEU 91 CO -0.08 -0.86 0.00 0.55 -1.32 0.00 0.00 176.35 174.63 2v72 n VAL 92 N 4.55 0.00 -3.60 1.68 3.14 0.49 -4.94 118.33 119.64 2v72 n VAL 92 Ca 0.15 -0.14 -0.16 0.00 -2.96 0.00 0.00 64.34 61.23 2v72 n VAL 92 Cb 0.40 0.67 -0.07 0.00 -1.06 0.00 0.00 33.84 33.78 2v72 n VAL 92 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2v72 s ALA 93 N -0.76 -1.45 -0.10 1.55 0.00 -0.91 -4.98 121.76 115.11 2v72 s ALA 93 Ca 0.00 1.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.71 2v72 s ALA 93 Cb 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 23.12 23.17 2v72 s ALA 93 CO 0.00 -0.33 0.86 -1.83 0.00 0.00 0.00 175.76 174.46 2v72 s GLU 94 N -1.11 0.81 0.00 0.00 4.04 -1.26 0.46 118.70 121.63 2v72 s GLU 94 Ca -0.11 0.14 0.00 0.00 0.04 0.00 0.00 54.97 55.04 2v72 s GLU 94 Cb -0.02 0.38 0.00 0.00 0.02 0.00 0.00 34.13 34.51 2v72 s GLU 94 CO 0.08 -0.26 0.00 0.41 -1.84 0.00 0.00 175.26 173.64 2v72 n GLY 95 N 0.70 -0.62 3.14 -3.83 0.00 -1.05 -5.01 105.19 98.52 2v72 n GLY 95 Ca -0.14 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 2v72 n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2v72 s THR 96 N -4.00 1.25 0.07 2.61 2.01 -1.26 -1.99 115.64 114.33 2v72 s THR 96 Ca 0.00 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.36 2v72 s THR 96 Cb 0.00 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 2v72 s THR 96 CO 0.00 0.33 -0.16 0.26 -0.69 0.00 0.00 174.62 174.36 2v72 s TRP 97 N -0.41 2.60 0.77 4.92 0.51 0.17 -4.96 118.94 122.54 2v72 s TRP 97 Ca 0.06 -0.23 -0.12 0.00 -2.12 0.00 0.00 56.10 53.69 2v72 s TRP 97 Cb -0.06 -1.43 0.06 0.00 -0.81 0.00 0.00 33.47 31.23 2v72 s TRP 97 CO -0.00 0.33 1.13 -1.21 -0.51 0.00 0.00 176.95 176.69 2v72 s GLU 98 N -1.77 2.05 -1.31 4.98 2.02 -1.26 -4.41 118.70 118.99 2v72 s GLU 98 Ca 0.17 1.43 -0.13 0.00 0.02 0.00 0.00 54.97 56.46 2v72 s GLU 98 Cb -0.11 -1.85 0.12 0.00 0.10 0.00 0.00 34.13 32.39 2v72 s GLU 98 CO 0.08 -1.84 1.84 0.39 0.02 0.00 0.00 175.26 175.76 2v72 n GLU 99 N -3.30 3.31 -3.95 1.61 1.02 -1.26 -4.86 120.64 113.21 2v72 n GLU 99 Ca 0.11 -3.33 -0.10 0.00 -0.02 0.00 0.00 57.16 53.81 2v72 n GLU 99 Cb 0.52 -3.13 -0.02 0.00 -0.02 0.00 0.00 31.44 28.79 2v72 n GLU 99 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2v72 s ASN 100 N 2.40 0.22 -0.09 1.62 2.20 -1.26 -5.06 114.94 114.96 2v72 s ASN 100 Ca 0.44 -1.12 0.15 0.00 -0.94 0.00 0.00 52.86 51.39 2v72 s ASN 100 Cb 0.07 0.71 0.59 0.00 -2.00 0.00 0.00 41.25 40.62 2v72 s ASN 100 CO -0.01 -1.38 1.47 -0.46 -2.94 0.00 0.00 177.10 173.78 2v72 n ASN 101 N -1.01 3.96 -4.76 3.54 2.04 -1.26 -4.92 115.26 112.86 2v72 n ASN 101 Ca -0.03 -2.37 -0.40 0.00 -0.44 0.00 0.00 54.58 51.34 2v72 n ASN 101 Cb 0.61 -0.52 -0.04 0.00 -2.53 0.00 0.00 39.78 37.30 2v72 n ASN 101 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2v72 s LEU 102 N -1.59 4.50 0.22 -4.53 1.43 -1.26 -4.46 118.68 112.99 2v72 s LEU 102 Ca 0.41 2.36 -0.31 0.00 -1.03 0.00 0.00 54.13 55.56 2v72 s LEU 102 Cb 0.27 -3.66 -0.15 0.00 0.03 0.00 0.00 46.19 42.68 2v72 s LEU 102 CO 0.20 -0.26 1.21 0.52 0.23 0.00 0.00 176.35 178.26 2v72 n VAL 103 N 1.03 1.14 -3.92 -1.59 0.31 -1.26 -4.58 118.33 109.46 2v72 n VAL 103 Ca -0.01 -0.29 -0.36 0.00 -0.01 0.00 0.00 64.34 63.68 2v72 n VAL 103 Cb 0.44 -1.09 -0.12 0.00 -0.91 0.00 0.00 33.84 32.16 2v72 n VAL 103 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2v72 s LYS 104 N -0.64 3.69 0.04 5.55 -0.14 -0.18 -4.95 119.74 123.11 2v72 s LYS 104 Ca 0.68 -0.47 0.01 0.00 -1.36 0.00 0.00 55.97 54.83 2v72 s LYS 104 Cb -0.75 -3.21 -0.04 0.00 -1.68 0.00 0.00 37.83 32.15 2v72 s LYS 104 CO 0.53 -0.04 0.09 0.95 -0.76 0.00 0.00 175.35 176.12 2v72 s THR 105 N 1.19 4.71 -0.09 2.17 -4.23 -1.26 -0.19 115.64 117.93 2v72 s THR 105 Ca 0.04 -0.56 -0.00 0.00 -1.18 0.00 0.00 61.69 59.99 2v72 s THR 105 Cb -0.14 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.50 2v72 s THR 105 CO 0.03 0.23 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.58 2v72 s VAL 106 N -1.31 0.86 -0.02 2.29 1.01 -0.23 -4.99 120.40 118.01 2v72 s VAL 106 Ca 0.27 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.10 2v72 s VAL 106 Cb -0.12 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2v72 s VAL 106 CO 0.19 0.33 -0.20 -0.89 0.00 0.00 0.00 175.10 174.53 2v72 s THR 107 N 1.58 2.57 -0.38 3.92 2.01 -1.26 -0.44 115.64 123.63 2v72 s THR 107 Ca 0.01 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 2v72 s THR 107 Cb -0.13 -1.97 0.08 0.00 0.01 0.00 0.00 72.50 70.50 2v72 s THR 107 CO -0.06 0.55 0.15 -0.36 -0.69 0.00 0.00 174.62 174.22 2v72 s PHE 108 N -0.70 3.44 0.19 4.92 0.40 0.19 -4.97 117.98 121.45 2v72 s PHE 108 Ca 0.11 -2.07 -0.14 0.00 -0.60 0.00 0.00 56.93 54.23 2v72 s PHE 108 Cb -0.10 -2.83 0.19 0.00 0.51 0.00 0.00 43.02 40.79 2v72 s PHE 108 CO 0.00 -0.89 1.66 -0.44 0.70 0.00 0.00 175.22 176.25 2v72 h ASP 109 N 8.10 -0.36 -3.57 1.36 3.32 -1.95 -3.23 116.42 120.09 2v72 h ASP 109 Ca -0.17 0.14 -0.64 0.00 0.02 0.00 0.00 57.03 56.38 2v72 h ASP 109 Cb 1.06 0.28 -0.14 0.00 0.22 0.00 0.00 39.33 40.75 2v72 h ASP 109 CO 0.66 -0.13 0.15 -0.44 -1.72 0.00 0.00 179.24 177.75 2v72 s SER 110 N -5.23 6.40 0.24 6.45 0.01 -1.26 -5.06 113.70 115.25 2v72 s SER 110 Ca -0.14 0.04 -0.31 0.00 1.31 0.00 0.00 55.95 56.86 2v72 s SER 110 Cb 0.17 -2.33 -0.11 0.00 0.21 0.00 0.00 66.02 63.97 2v72 s SER 110 CO 0.72 -0.64 1.54 -2.84 0.41 0.00 0.00 173.24 172.44 2v72 s PRO 111 N 2.75 4.20 -0.06 12.44 0.02 -1.22 -4.97 135.00 148.15 2v72 s PRO 111 Ca 0.24 2.43 -0.12 0.00 0.02 0.00 0.00 61.00 63.57 2v72 s PRO 111 Cb -0.14 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.24 2v72 s PRO 111 CO 0.16 -0.56 0.30 0.96 -0.33 0.00 0.00 177.00 177.53 2v72 s ILE 112 N 0.39 5.23 -0.07 2.83 -4.36 -0.13 -4.72 121.20 120.38 2v72 s ILE 112 Ca 0.65 0.58 -0.30 0.00 -0.26 0.00 0.00 60.65 61.32 2v72 s ILE 112 Cb -0.45 -3.59 -0.02 0.00 1.25 0.00 0.00 42.46 39.65 2v72 s ILE 112 CO 0.41 0.57 1.10 -1.81 0.24 0.00 0.00 174.94 175.44 2v72 s ASP 113 N -0.84 7.16 -0.27 4.36 1.01 -1.26 0.43 116.67 127.26 2v72 s ASP 113 Ca 0.20 1.68 -0.21 0.00 0.71 0.00 0.00 52.55 54.93 2v72 s ASP 113 Cb -0.15 -2.56 0.07 0.00 1.01 0.00 0.00 42.92 41.30 2v72 s ASP 113 CO 0.09 -0.50 0.70 0.00 0.21 0.00 0.00 175.17 175.67 2v72 s ALA 114 N 2.01 -1.82 -0.31 5.23 0.00 -0.27 -4.64 121.76 121.96 2v72 s ALA 114 Ca 0.52 2.20 0.22 0.00 0.00 0.00 0.00 51.96 54.91 2v72 s ALA 114 Cb -0.22 -1.29 -0.14 0.00 0.00 0.00 0.00 23.12 21.48 2v72 s ALA 114 CO 0.21 -0.36 0.80 0.39 0.00 0.00 0.00 175.76 176.80 2v72 n GLU 115 N 3.43 0.49 -3.69 0.00 1.02 0.55 -1.51 120.64 120.93 2v72 n GLU 115 Ca -0.17 -0.05 -0.14 0.00 -0.02 0.00 0.00 57.16 56.78 2v72 n GLU 115 Cb 0.57 -1.61 -0.08 0.00 -0.02 0.00 0.00 31.44 30.29 2v72 n GLU 115 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2v72 s GLU 116 N -3.35 0.73 0.02 3.49 2.12 -1.13 0.28 118.70 120.85 2v72 s GLU 116 Ca -0.02 0.11 0.05 0.00 0.36 0.00 0.00 54.97 55.47 2v72 s GLU 116 Cb 0.13 0.34 -0.02 0.00 0.26 0.00 0.00 34.13 34.84 2v72 s GLU 116 CO 0.85 -0.19 -0.15 0.42 -0.54 0.00 0.00 175.26 175.65 2v72 s ILE 117 N -0.93 1.20 -0.15 -3.70 1.01 0.06 -0.91 121.20 117.78 2v72 s ILE 117 Ca -0.10 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.70 2v72 s ILE 117 Cb -0.04 -1.04 0.03 0.00 0.01 0.00 0.00 42.46 41.42 2v72 s ILE 117 CO 0.05 0.18 -0.12 -0.75 0.00 0.00 0.00 174.94 174.30 2v72 s LYS 118 N -0.78 2.06 -0.31 2.79 2.20 -0.24 -0.13 119.74 125.33 2v72 s LYS 118 Ca 0.04 -0.53 -0.12 0.00 -0.36 0.00 0.00 55.97 54.99 2v72 s LYS 118 Cb -0.07 -2.04 -0.03 0.00 -1.51 0.00 0.00 37.83 34.18 2v72 s LYS 118 CO 0.00 -0.28 0.24 0.42 -0.36 0.00 0.00 175.35 175.37 2v72 s ILE 119 N 1.53 5.28 -0.21 5.43 -1.09 0.07 -1.96 121.20 130.24 2v72 s ILE 119 Ca 0.04 -0.01 -0.07 0.00 -2.23 0.00 0.00 60.65 58.38 2v72 s ILE 119 Cb -0.13 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 2v72 s ILE 119 CO -0.10 0.09 0.07 -0.89 -1.23 0.00 0.00 174.94 172.88 2v72 s THR 120 N 1.78 4.58 -0.49 2.92 2.01 -0.49 -0.58 115.64 125.38 2v72 s THR 120 Ca 0.07 -0.09 -0.19 0.00 0.31 0.00 0.00 61.69 61.79 2v72 s THR 120 Cb -0.17 -3.10 0.05 0.00 0.01 0.00 0.00 72.50 69.30 2v72 s THR 120 CO 0.11 0.40 0.57 0.00 -0.69 0.00 0.00 174.62 175.01 2v72 s ALA 121 N 0.94 3.41 -0.03 7.40 0.00 0.39 -1.93 121.76 131.94 2v72 s ALA 121 Ca 0.04 -1.73 -0.21 0.00 0.00 0.00 0.00 51.96 50.07 2v72 s ALA 121 Cb -0.14 -3.27 -0.32 0.00 0.00 0.00 0.00 23.12 19.39 2v72 s ALA 121 CO 0.03 -1.90 0.93 0.82 0.00 0.00 0.00 175.76 175.63 2v72 h ILE 122 N 5.83 1.46 -3.93 0.00 2.04 -1.09 -2.91 117.51 118.92 2v72 h ILE 122 Ca -0.27 -2.54 -0.25 0.00 1.00 0.00 0.00 64.86 62.80 2v72 h ILE 122 Cb 1.10 3.13 -0.23 0.00 -0.74 0.00 0.00 36.82 40.08 2v72 h ILE 122 CO 0.93 0.73 -0.73 -1.10 0.00 0.00 0.00 178.15 177.98 2v72 s GLN 123 N -2.52 0.37 -0.01 2.37 -0.21 -1.09 -4.36 119.66 114.22 2v72 s GLN 123 Ca -0.13 -0.51 -0.28 0.00 0.02 0.00 0.00 55.36 54.46 2v72 s GLN 123 Cb 0.02 -0.15 0.09 0.00 1.00 0.00 0.00 33.01 33.96 2v72 s GLN 123 CO 0.85 0.02 0.77 0.20 -2.12 0.00 0.00 175.29 175.02 2v72 s GLY 124 N -1.07 -0.50 0.28 3.09 0.00 -1.26 -0.78 107.32 107.08 2v72 s GLY 124 Ca -0.08 1.19 -0.29 0.00 0.00 0.00 0.00 44.72 45.54 2v72 s GLY 124 CO -0.00 0.64 1.29 0.54 0.00 0.00 0.00 173.10 175.56 2v72 s VAL 125 N -2.23 2.98 0.00 1.40 0.11 -0.55 -1.79 120.40 120.32 2v72 s VAL 125 Ca -0.03 0.91 0.00 0.00 -2.93 0.00 0.00 61.98 59.94 2v72 s VAL 125 Cb -0.01 -3.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 2v72 s VAL 125 CO -0.02 0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 2v72 n GLY 126 N 1.44 1.54 1.86 6.54 0.00 -1.26 -0.62 105.19 114.69 2v72 n GLY 126 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2v72 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2v72 n GLY 127 N -2.00 0.43 3.80 -0.02 0.00 -0.74 -5.00 105.19 101.67 2v72 n GLY 127 Ca 0.00 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 2v72 n GLY 127 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2v72 s PHE 128 N -2.00 2.23 -0.04 1.61 0.40 -1.13 -4.50 117.98 114.56 2v72 s PHE 128 Ca 0.00 -0.70 0.01 0.00 -0.60 0.00 0.00 56.93 55.64 2v72 s PHE 128 Cb 0.00 -1.91 0.02 0.00 0.51 0.00 0.00 43.02 41.64 2v72 s PHE 128 CO 0.00 -0.01 -0.04 0.00 0.70 0.00 0.00 175.22 175.86 2v72 s ALA 129 N -2.68 0.60 0.02 5.36 0.00 -1.26 -4.12 121.76 119.68 2v72 s ALA 129 Ca 0.35 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.27 2v72 s ALA 129 Cb 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2v72 s ALA 129 CO 0.20 0.01 -0.04 -1.54 0.00 0.00 0.00 175.76 174.39 2v72 s SER 130 N 0.77 0.39 -0.09 0.00 1.04 -0.02 -1.43 113.70 114.37 2v72 s SER 130 Ca -0.10 -0.32 -0.04 0.00 0.48 0.00 0.00 55.95 55.98 2v72 s SER 130 Cb -0.13 0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.07 2v72 s SER 130 CO 0.00 -0.14 0.18 -0.63 0.98 0.00 0.00 173.24 173.63 2v72 s ILE 131 N -0.84 -0.27 0.01 -1.02 1.01 -0.26 -4.60 121.20 115.23 2v72 s ILE 131 Ca -0.07 0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 2v72 s ILE 131 Cb -0.06 -0.32 -0.29 0.00 0.01 0.00 0.00 42.46 41.80 2v72 s ILE 131 CO -0.00 0.14 0.90 0.00 0.00 0.00 0.00 174.94 175.98 2v72 h ALA 132 N 8.30 0.18 -3.11 9.38 0.00 -1.17 0.30 119.26 133.13 2v72 h ALA 132 Ca -0.15 -1.05 -0.17 0.00 0.00 0.00 0.00 54.91 53.55 2v72 h ALA 132 Cb 1.12 0.24 -0.25 0.00 0.00 0.00 0.00 17.79 18.90 2v72 h ALA 132 CO 0.15 1.05 -0.46 -1.21 0.00 0.00 0.00 179.25 178.78 2v72 s GLU 133 N -2.62 0.31 -0.08 0.00 0.41 -1.06 -4.32 118.70 111.34 2v72 s GLU 133 Ca -0.09 0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.64 2v72 s GLU 133 Cb 0.06 0.14 0.02 0.00 -1.78 0.00 0.00 34.13 32.58 2v72 s GLU 133 CO 0.87 -0.05 -0.06 -1.17 -0.49 0.00 0.00 175.26 174.36 2v72 s LEU 134 N -0.18 1.14 0.08 1.80 0.20 0.50 -0.77 118.68 121.46 2v72 s LEU 134 Ca -0.03 -0.20 0.08 0.00 0.69 0.00 0.00 54.13 54.67 2v72 s LEU 134 Cb -0.03 -0.64 -0.03 0.00 -0.43 0.00 0.00 46.19 45.06 2v72 s LEU 134 CO 0.01 -0.10 -0.21 0.20 -0.29 0.00 0.00 176.35 175.96 2v72 s ASN 135 N 1.41 2.57 -0.06 3.68 0.01 -0.84 -4.75 114.94 116.95 2v72 s ASN 135 Ca -0.02 -0.63 0.02 0.00 -0.71 0.00 0.00 52.86 51.52 2v72 s ASN 135 Cb -0.13 -0.17 0.01 0.00 0.41 0.00 0.00 41.25 41.37 2v72 s ASN 135 CO -0.03 0.10 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.84 2v72 s VAL 136 N -1.03 1.15 -0.01 1.60 1.01 -1.26 -1.72 120.40 120.14 2v72 s VAL 136 Ca 0.07 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.61 2v72 s VAL 136 Cb -0.10 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2v72 s VAL 136 CO 0.03 0.35 -0.19 -0.31 0.00 0.00 0.00 175.10 174.99 2v72 s TYR 137 N 0.56 2.54 -1.43 5.22 1.51 -0.12 -1.18 117.35 124.46 2v72 s TYR 137 Ca -0.13 -0.27 0.11 0.00 -1.01 0.00 0.00 57.07 55.77 2v72 s TYR 137 Cb -0.15 -1.53 0.09 0.00 -0.11 0.00 0.00 41.96 40.26 2v72 s TYR 137 CO 0.03 0.15 0.86 0.39 -1.11 0.00 0.00 175.55 175.88