#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ivc n ALA 2 N 0.00 0.00 -2.00 3.17 0.00 -1.26 -5.12 120.51 115.30 3ivc n ALA 2 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3ivc n ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3ivc n ALA 2 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ivc s ILE 3 N -1.55 3.76 0.96 0.00 -1.09 -1.26 -5.00 121.20 117.02 3ivc s ILE 3 Ca 0.00 1.56 -0.11 0.00 -2.23 0.00 0.00 60.65 59.87 3ivc s ILE 3 Cb 0.00 -3.99 0.17 0.00 -1.58 0.00 0.00 42.46 37.06 3ivc s ILE 3 CO 0.00 0.29 1.09 -2.84 -1.23 0.00 0.00 174.94 172.25 3ivc s PRO 4 N -0.56 0.69 0.18 2.79 0.02 -1.26 -4.95 135.00 131.91 3ivc s PRO 4 Ca 0.49 1.11 -0.31 0.00 0.02 0.00 0.00 61.00 62.31 3ivc s PRO 4 Cb -0.30 -1.72 -0.16 0.00 0.02 0.00 0.00 34.50 32.33 3ivc s PRO 4 CO 0.36 -2.72 0.86 0.00 -0.33 0.00 0.00 177.00 175.18 3ivc n ALA 5 N -4.25 -1.92 -3.62 -1.55 0.00 -1.26 -4.97 120.51 102.95 3ivc n ALA 5 Ca 0.08 0.46 -0.18 0.00 0.00 0.00 0.00 53.44 53.80 3ivc n ALA 5 Cb 0.54 -1.82 -0.15 0.00 0.00 0.00 0.00 19.45 18.02 3ivc n ALA 5 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3ivc s PHE 6 N -0.66 -0.18 -0.42 0.00 5.36 -1.26 -5.04 117.98 115.78 3ivc s PHE 6 Ca 0.69 0.43 -0.12 0.00 -0.96 0.00 0.00 56.93 56.98 3ivc s PHE 6 Cb -0.91 -0.32 0.06 0.00 -0.34 0.00 0.00 43.02 41.50 3ivc s PHE 6 CO 0.56 -0.38 0.28 -1.01 -1.46 0.00 0.00 175.22 173.21 3ivc s HIS 7 N 2.29 3.28 0.70 10.12 3.76 -1.26 -5.08 115.29 129.10 3ivc s HIS 7 Ca 0.04 -1.14 -0.16 0.00 -0.15 0.00 0.00 55.06 53.65 3ivc s HIS 7 Cb -0.13 -2.83 0.02 0.00 1.11 0.00 0.00 32.58 30.75 3ivc s HIS 7 CO -0.08 -0.76 1.24 -2.14 -0.85 0.00 0.00 174.74 172.15 3ivc s PRO 8 N 1.54 2.26 0.00 8.40 0.02 -1.26 -1.48 135.00 144.48 3ivc s PRO 8 Ca 0.03 1.87 0.00 0.00 0.02 0.00 0.00 61.00 62.92 3ivc s PRO 8 Cb -0.22 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.47 3ivc s PRO 8 CO 0.05 -1.77 0.00 0.41 -0.33 0.00 0.00 177.00 175.36 3ivc n GLY 9 N 0.60 0.71 3.82 0.52 0.00 -1.26 -4.96 105.19 104.61 3ivc n GLY 9 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 3ivc n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ivc s GLU 10 N -0.07 2.85 -0.20 1.61 2.02 -0.55 -4.99 118.70 119.37 3ivc s GLU 10 Ca 0.00 -1.11 -0.29 0.00 0.02 0.00 0.00 54.97 53.58 3ivc s GLU 10 Cb 0.00 -2.52 -0.01 0.00 0.10 0.00 0.00 34.13 31.70 3ivc s GLU 10 CO 0.00 0.35 1.29 -1.17 0.02 0.00 0.00 175.26 175.75 3ivc s LEU 11 N -3.85 4.09 -0.19 1.80 2.96 -1.25 -4.33 118.68 117.91 3ivc s LEU 11 Ca 0.34 1.56 -0.05 0.00 -0.22 0.00 0.00 54.13 55.76 3ivc s LEU 11 Cb -0.07 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 3ivc s LEU 11 CO 0.25 -0.87 0.01 0.20 -1.32 0.00 0.00 176.35 174.62 3ivc s ASN 12 N 2.29 4.96 -0.21 3.68 0.01 0.35 -4.96 114.94 121.06 3ivc s ASN 12 Ca 0.56 -0.15 -0.05 0.00 -0.71 0.00 0.00 52.86 52.51 3ivc s ASN 12 Cb -0.20 -1.84 -0.02 0.00 0.41 0.00 0.00 41.25 39.59 3ivc s ASN 12 CO 0.18 0.09 -0.01 -0.69 -1.51 0.00 0.00 177.10 175.16 3ivc s VAL 13 N 0.82 3.81 -0.07 1.60 1.01 -1.26 -0.61 120.40 125.71 3ivc s VAL 13 Ca 0.01 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3ivc s VAL 13 Cb -0.14 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.51 3ivc s VAL 13 CO 0.02 0.42 -0.19 -0.31 0.00 0.00 0.00 175.10 175.04 3ivc s TYR 14 N 1.18 1.95 -0.07 5.22 1.51 0.34 -4.98 117.35 122.51 3ivc s TYR 14 Ca 0.03 -0.68 0.22 0.00 -1.01 0.00 0.00 57.07 55.63 3ivc s TYR 14 Cb -0.14 -1.33 -0.31 0.00 -0.11 0.00 0.00 41.96 40.06 3ivc s TYR 14 CO 0.01 -0.27 0.53 -1.13 -1.11 0.00 0.00 175.55 173.58 3ivc n SER 15 N 3.40 0.08 -4.65 2.29 3.41 -1.26 -0.82 113.62 116.07 3ivc n SER 15 Ca -0.20 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.03 3ivc n SER 15 Cb 0.52 1.86 -0.07 0.00 -0.26 0.00 0.00 64.21 66.27 3ivc n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ivc s ALA 16 N -3.50 3.56 0.27 7.33 0.00 -1.26 -4.09 121.76 124.07 3ivc s ALA 16 Ca -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3ivc s ALA 16 Cb 0.14 -2.82 0.60 0.00 0.00 0.00 0.00 23.12 21.04 3ivc s ALA 16 CO 0.90 -0.50 1.71 -1.35 0.00 0.00 0.00 175.76 176.52 3ivc h PRO 17 N 7.58 0.41 -0.79 0.00 0.11 -1.93 -1.21 132.00 136.17 3ivc h PRO 17 Ca -0.33 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.77 3ivc h PRO 17 Cb 1.15 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3ivc h PRO 17 CO 0.73 0.27 0.53 0.78 -0.21 0.00 0.00 178.00 180.10 3ivc h GLY 18 N 0.42 1.12 0.85 -0.55 0.00 -1.97 0.11 103.07 103.05 3ivc h GLY 18 Ca 0.49 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 3ivc h GLY 18 CO -0.48 0.39 -0.02 -0.55 0.00 0.00 0.00 176.54 175.89 3ivc h ASP 19 N 1.05 0.45 0.49 0.19 3.32 -1.64 -1.29 116.42 119.00 3ivc h ASP 19 Ca 0.30 -0.33 -0.16 0.00 0.02 0.00 0.00 57.03 56.86 3ivc h ASP 19 Cb -0.09 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3ivc h ASP 19 CO -0.07 0.67 -0.70 1.62 -1.72 0.00 0.00 179.24 179.04 3ivc h VAL 20 N 0.22 1.44 -0.75 -1.35 3.04 -1.07 -1.50 116.25 116.28 3ivc h VAL 20 Ca 0.07 -2.25 -0.03 0.00 -1.01 0.00 0.00 66.70 63.48 3ivc h VAL 20 Cb 0.45 2.19 -0.03 0.00 -2.01 0.00 0.00 31.29 31.89 3ivc h VAL 20 CO 0.02 0.66 0.33 0.00 -1.01 0.00 0.00 177.57 177.57 3ivc h ALA 21 N 1.15 1.17 0.06 3.17 0.00 -0.92 0.19 119.26 124.08 3ivc h ALA 21 Ca -0.02 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 3ivc h ALA 21 Cb 1.25 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.76 3ivc h ALA 21 CO 0.10 0.62 -1.04 -0.44 0.00 0.00 0.00 179.25 178.49 3ivc h ASP 22 N 1.08 0.80 -0.08 0.00 3.32 -1.14 -2.58 116.42 117.82 3ivc h ASP 22 Ca 0.26 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 56.51 3ivc h ASP 22 Cb 0.15 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3ivc h ASP 22 CO -0.03 1.51 0.05 0.58 -1.72 0.00 0.00 179.24 179.63 3ivc h VAL 23 N 0.20 1.04 -0.94 -1.35 2.07 -1.18 -2.05 116.25 114.03 3ivc h VAL 23 Ca -0.15 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.37 3ivc h VAL 23 Cb 1.72 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.37 3ivc h VAL 23 CO 0.20 0.03 0.61 -1.28 0.02 0.00 0.00 177.57 177.15 3ivc h SER 24 N 0.09 0.91 -0.06 0.57 0.87 -0.65 0.36 113.55 115.64 3ivc h SER 24 Ca 0.03 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3ivc h SER 24 Cb 0.01 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3ivc h SER 24 CO -0.01 0.56 -0.02 -0.09 -0.53 0.00 0.00 176.83 176.75 3ivc h ARG 25 N 1.02 0.12 -0.11 2.24 2.43 -1.38 -0.23 114.38 118.47 3ivc h ARG 25 Ca 0.42 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.57 3ivc h ARG 25 Cb 0.29 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3ivc h ARG 25 CO -0.18 0.47 -0.09 0.00 -1.51 0.00 0.00 179.97 178.66 3ivc h ALA 26 N 0.65 0.00 -0.91 2.80 0.00 -1.06 -1.59 119.26 119.14 3ivc h ALA 26 Ca 0.01 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3ivc h ALA 26 Cb 0.43 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3ivc h ALA 26 CO 0.01 -0.55 0.59 -0.07 0.00 0.00 0.00 179.25 179.23 3ivc h LEU 27 N -0.10 0.88 -0.86 0.00 3.38 -0.78 -2.45 115.31 115.38 3ivc h LEU 27 Ca 0.07 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3ivc h LEU 27 Cb 0.21 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3ivc h LEU 27 CO -0.18 0.55 0.31 -0.09 0.09 0.00 0.00 178.44 179.12 3ivc h ARG 28 N 0.99 1.15 0.00 1.13 2.43 -0.68 -2.72 114.38 116.67 3ivc h ARG 28 Ca 0.40 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3ivc h ARG 28 Cb 0.28 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3ivc h ARG 28 CO -0.16 0.92 -0.15 -0.07 -1.51 0.00 0.00 179.97 179.00 3ivc h LEU 29 N 1.12 0.00 -0.18 3.80 3.38 -0.82 -1.31 115.31 121.30 3ivc h LEU 29 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3ivc h LEU 29 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ivc h LEU 29 CO -0.02 0.15 0.00 0.35 0.09 0.00 0.00 178.44 179.01 3ivc n THR 30 N -4.15 0.03 -1.03 0.22 -2.24 -1.07 -4.90 114.28 101.15 3ivc n THR 30 Ca -0.02 -0.06 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 3ivc n THR 30 Cb 0.23 -0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3ivc n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ivc n GLY 31 N 0.84 0.50 3.79 3.38 0.00 -0.49 -5.04 105.19 108.17 3ivc n GLY 31 Ca 0.14 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 3ivc n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ivc s ARG 32 N -1.10 4.07 -0.28 1.61 0.52 -1.05 -4.97 118.95 117.75 3ivc s ARG 32 Ca 0.00 1.41 -0.13 0.00 -0.52 0.00 0.00 55.73 56.48 3ivc s ARG 32 Cb 0.00 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 3ivc s ARG 32 CO 0.00 -0.20 0.30 1.03 0.02 0.00 0.00 175.30 176.45 3ivc s ARG 33 N -2.80 3.95 -0.19 3.54 0.52 0.14 -4.32 118.95 119.80 3ivc s ARG 33 Ca 0.61 -0.14 -0.22 0.00 -0.52 0.00 0.00 55.73 55.46 3ivc s ARG 33 Cb -0.18 -3.67 -0.02 0.00 0.52 0.00 0.00 34.95 31.59 3ivc s ARG 33 CO 0.23 -0.26 0.68 0.08 0.02 0.00 0.00 175.30 176.05 3ivc s VAL 34 N 1.95 4.99 -0.07 3.52 1.01 -1.26 -0.68 120.40 129.86 3ivc s VAL 34 Ca 0.12 1.30 0.02 0.00 0.00 0.00 0.00 61.98 63.42 3ivc s VAL 34 Cb -0.16 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3ivc s VAL 34 CO 0.10 0.10 -0.10 -0.04 0.00 0.00 0.00 175.10 175.16 3ivc s MET 35 N 1.93 2.71 -0.12 2.72 1.00 -0.13 -0.74 119.30 126.67 3ivc s MET 35 Ca 0.31 -0.60 0.02 0.00 0.00 0.00 0.00 55.69 55.42 3ivc s MET 35 Cb -0.16 -2.53 -0.00 0.00 0.00 0.00 0.00 34.83 32.14 3ivc s MET 35 CO 0.11 0.62 -0.20 -1.17 0.00 0.00 0.00 175.02 174.38 3ivc s LEU 36 N -0.71 2.28 -0.55 -0.03 2.96 -0.65 -0.51 118.68 121.47 3ivc s LEU 36 Ca 0.11 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 3ivc s LEU 36 Cb -0.11 -1.48 0.14 0.00 0.50 0.00 0.00 46.19 45.24 3ivc s LEU 36 CO 0.01 0.14 0.32 -0.69 -1.32 0.00 0.00 176.35 174.81 3ivc s VAL 37 N 0.47 3.10 -0.04 1.68 1.01 -0.34 -1.03 120.40 125.25 3ivc s VAL 37 Ca -0.14 -3.04 -0.30 0.00 0.00 0.00 0.00 61.98 58.50 3ivc s VAL 37 Cb -0.17 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3ivc s VAL 37 CO 0.06 -0.82 1.25 -2.84 0.00 0.00 0.00 175.10 172.75 3ivc s PRO 38 N -0.05 4.34 0.15 2.72 0.02 -1.26 -2.03 135.00 138.89 3ivc s PRO 38 Ca 0.16 1.74 -0.00 0.00 0.02 0.00 0.00 61.00 62.92 3ivc s PRO 38 Cb -0.23 -3.55 -0.04 0.00 0.02 0.00 0.00 34.50 30.70 3ivc s PRO 38 CO -0.02 -0.47 0.05 0.95 -0.33 0.00 0.00 177.00 177.17 3ivc s THR 39 N 2.23 0.27 -0.24 0.99 -4.23 -0.33 -4.92 115.64 109.40 3ivc s THR 39 Ca 0.58 -1.94 0.14 0.00 -1.18 0.00 0.00 61.69 59.29 3ivc s THR 39 Cb -0.26 -2.11 0.65 0.00 1.34 0.00 0.00 72.50 72.12 3ivc s THR 39 CO 0.23 -0.43 1.61 0.23 -0.54 0.00 0.00 174.62 175.72 3ivc n MET 40 N -0.16 3.50 0.00 3.99 2.81 -1.26 -2.09 117.12 123.91 3ivc n MET 40 Ca -0.05 -3.02 0.00 0.00 -1.81 0.00 0.00 57.70 52.82 3ivc n MET 40 Cb 0.64 -2.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 3ivc n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ivc n GLY 41 N -0.22 -1.36 3.88 3.03 0.00 -1.26 -4.68 105.19 104.58 3ivc n GLY 41 Ca 0.29 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 3ivc n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ivc n ALA 42 N 2.29 -2.68 -1.77 4.61 0.00 -1.26 -4.85 120.51 116.86 3ivc n ALA 42 Ca 0.00 -0.41 -0.39 0.00 0.00 0.00 0.00 53.44 52.65 3ivc n ALA 42 Cb 0.00 -2.08 -0.05 0.00 0.00 0.00 0.00 19.45 17.32 3ivc n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ivc s LEU 43 N -6.30 4.46 0.00 0.00 1.43 -1.26 -4.69 118.68 112.32 3ivc s LEU 43 Ca 0.29 2.02 0.01 0.00 -1.03 0.00 0.00 54.13 55.43 3ivc s LEU 43 Cb -0.15 -3.81 -0.00 0.00 0.03 0.00 0.00 46.19 42.25 3ivc s LEU 43 CO 0.92 -0.09 0.03 0.00 0.23 0.00 0.00 176.35 177.45 3ivc n HIS 44 N 0.91 0.00 0.17 0.29 1.44 -1.26 -4.97 115.22 111.79 3ivc n HIS 44 Ca 0.00 -0.56 0.06 0.00 -2.01 0.00 0.00 57.72 55.21 3ivc n HIS 44 Cb 0.48 0.01 0.53 0.00 0.12 0.00 0.00 29.99 31.13 3ivc n HIS 44 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3ivc h GLU 45 N 0.00 0.18 -0.33 -1.40 4.57 -1.99 -0.65 114.58 114.96 3ivc h GLU 45 Ca -0.07 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.16 3ivc h GLU 45 Cb 0.26 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 3ivc h GLU 45 CO 0.10 0.17 -0.01 0.78 -1.18 0.00 0.00 179.01 178.87 3ivc h GLY 46 N 0.31 0.32 1.03 1.92 0.00 -1.95 0.19 103.07 104.88 3ivc h GLY 46 Ca 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 3ivc h GLY 46 CO -0.00 -0.08 0.38 0.45 0.00 0.00 0.00 176.54 177.29 3ivc h HIS 47 N 0.09 1.15 -0.54 5.60 3.86 -1.53 -2.26 115.15 121.51 3ivc h HIS 47 Ca 0.16 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3ivc h HIS 47 Cb 0.22 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 3ivc h HIS 47 CO -0.24 0.84 0.33 -0.07 0.86 0.00 0.00 177.93 179.64 3ivc h LEU 48 N 1.13 0.65 -1.06 2.43 3.38 -1.03 0.11 115.31 120.92 3ivc h LEU 48 Ca 0.27 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.27 3ivc h LEU 48 Cb 0.12 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 3ivc h LEU 48 CO -0.03 0.52 0.62 0.00 0.09 0.00 0.00 178.44 179.64 3ivc h ALA 49 N 1.16 1.50 -0.59 1.53 0.00 -0.42 0.35 119.26 122.80 3ivc h ALA 49 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ivc h ALA 49 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3ivc h ALA 49 CO -0.04 0.32 0.35 -0.07 0.00 0.00 0.00 179.25 179.81 3ivc h LEU 50 N 1.05 0.71 -0.52 0.00 3.38 -0.53 0.11 115.31 119.52 3ivc h LEU 50 Ca 0.44 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.30 3ivc h LEU 50 Cb 0.31 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3ivc h LEU 50 CO -0.20 0.57 0.12 0.58 0.09 0.00 0.00 178.44 179.60 3ivc h VAL 51 N 0.80 1.24 -0.62 1.22 2.07 0.17 -1.86 116.25 119.26 3ivc h VAL 51 Ca 0.21 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 3ivc h VAL 51 Cb -0.01 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3ivc h VAL 51 CO -0.04 0.32 0.05 0.03 0.02 0.00 0.00 177.57 177.95 3ivc h ARG 52 N 0.72 1.07 -0.54 1.57 3.08 -0.03 0.45 114.38 120.70 3ivc h ARG 52 Ca 0.16 -0.31 0.03 0.00 0.07 0.00 0.00 59.98 59.93 3ivc h ARG 52 Cb 0.35 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3ivc h ARG 52 CO 0.00 1.02 0.31 0.00 -1.07 0.00 0.00 179.97 180.23 3ivc h ALA 53 N 1.01 0.70 -0.32 0.04 0.00 -0.64 -2.06 119.26 118.00 3ivc h ALA 53 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ivc h ALA 53 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ivc h ALA 53 CO 0.02 0.00 0.08 0.00 0.00 0.00 0.00 179.25 179.35 3ivc h ALA 54 N 1.26 0.43 -0.87 0.00 0.00 -0.94 -3.05 119.26 116.09 3ivc h ALA 54 Ca 0.23 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3ivc h ALA 54 Cb 0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3ivc h ALA 54 CO -0.12 0.09 0.56 0.87 0.00 0.00 0.00 179.25 180.65 3ivc h LYS 55 N 0.36 0.78 0.00 0.00 1.57 0.12 -2.73 116.57 116.67 3ivc h LYS 55 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3ivc h LYS 55 Cb 0.29 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3ivc h LYS 55 CO 0.00 0.52 0.00 0.00 -0.57 0.00 0.00 179.45 179.40 3ivc h ARG 56 N 0.80 0.00 -6.27 3.15 3.08 -1.26 -3.43 114.38 110.46 3ivc h ARG 56 Ca 0.41 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.90 3ivc h ARG 56 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 3ivc h ARG 56 CO -0.17 0.00 0.74 0.08 -1.07 0.00 0.00 179.97 179.55 3ivc s VAL 57 N -3.83 4.31 0.33 2.04 1.01 -1.03 -4.98 120.40 118.24 3ivc s VAL 57 Ca -0.02 1.61 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 3ivc s VAL 57 Cb 0.10 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 3ivc s VAL 57 CO 0.37 -0.04 1.40 -2.84 0.00 0.00 0.00 175.10 173.99 3ivc s PRO 58 N 2.52 4.25 -0.00 2.72 0.02 -1.26 -1.62 135.00 141.63 3ivc s PRO 58 Ca 0.55 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.92 3ivc s PRO 58 Cb -0.23 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.24 3ivc s PRO 58 CO 0.20 -0.36 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 3ivc n GLY 59 N 1.06 0.49 3.75 0.52 0.00 -1.26 -4.71 105.19 105.04 3ivc n GLY 59 Ca 0.02 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3ivc n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ivc s SER 60 N -2.02 7.24 -0.07 1.61 1.04 -0.64 0.28 113.70 121.14 3ivc s SER 60 Ca 0.00 2.24 0.04 0.00 0.48 0.00 0.00 55.95 58.71 3ivc s SER 60 Cb 0.00 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.49 3ivc s SER 60 CO 0.00 -0.19 -0.20 0.54 0.98 0.00 0.00 173.24 174.37 3ivc s VAL 61 N -0.85 2.48 -0.21 5.02 0.11 0.15 -4.84 120.40 122.25 3ivc s VAL 61 Ca 0.46 -0.91 -0.09 0.00 -2.93 0.00 0.00 61.98 58.52 3ivc s VAL 61 Cb -0.32 -1.95 -0.04 0.00 -1.53 0.00 0.00 36.38 32.54 3ivc s VAL 61 CO 0.39 0.57 0.10 -0.69 -3.33 0.00 0.00 175.10 172.14 3ivc s VAL 62 N -0.17 4.97 -0.23 2.04 1.01 -1.26 -0.95 120.40 125.81 3ivc s VAL 62 Ca -0.02 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 3ivc s VAL 62 Cb -0.14 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 3ivc s VAL 62 CO 0.04 0.41 0.06 -0.69 0.00 0.00 0.00 175.10 174.91 3ivc s VAL 63 N 0.74 4.37 -0.26 2.92 1.01 0.33 -2.05 120.40 127.47 3ivc s VAL 63 Ca 0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 3ivc s VAL 63 Cb -0.13 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3ivc s VAL 63 CO 0.02 0.37 0.06 -0.69 0.00 0.00 0.00 175.10 174.86 3ivc s VAL 64 N 1.30 4.11 0.16 2.92 1.01 -0.35 -1.19 120.40 128.36 3ivc s VAL 64 Ca 0.05 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 3ivc s VAL 64 Cb -0.15 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 3ivc s VAL 64 CO 0.03 0.28 0.43 -0.94 0.00 0.00 0.00 175.10 174.90 3ivc s SER 65 N 1.57 6.54 -0.14 3.32 1.04 -0.86 -1.46 113.70 123.71 3ivc s SER 65 Ca 0.05 0.70 -0.02 0.00 0.48 0.00 0.00 55.95 57.17 3ivc s SER 65 Cb -0.15 -2.14 0.04 0.00 0.10 0.00 0.00 66.02 63.87 3ivc s SER 65 CO 0.02 0.03 -0.01 -0.63 0.98 0.00 0.00 173.24 173.64 3ivc s ILE 66 N -1.68 0.68 -0.30 -1.02 1.01 0.18 -1.19 121.20 118.89 3ivc s ILE 66 Ca 0.42 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 3ivc s ILE 66 Cb -0.12 -0.96 0.15 0.00 0.01 0.00 0.00 42.46 41.54 3ivc s ILE 66 CO 0.23 0.06 0.70 0.12 0.00 0.00 0.00 174.94 176.05 3ivc s PHE 67 N 1.82 -1.29 -0.61 3.97 5.36 -0.89 -4.22 117.98 122.13 3ivc s PHE 67 Ca 0.02 1.99 -0.21 0.00 -0.96 0.00 0.00 56.93 57.76 3ivc s PHE 67 Cb -0.15 0.68 0.07 0.00 -0.34 0.00 0.00 43.02 43.29 3ivc s PHE 67 CO -0.07 -0.66 0.86 0.08 -1.46 0.00 0.00 175.22 173.97 3ivc s VAL 68 N 2.83 4.52 -0.35 3.12 1.01 -1.26 -4.32 120.40 125.95 3ivc s VAL 68 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 3ivc s VAL 68 Cb -0.12 -4.57 0.01 0.00 0.00 0.00 0.00 36.38 31.70 3ivc s VAL 68 CO -0.19 -1.26 1.26 0.21 0.00 0.00 0.00 175.10 175.12 3ivc s ASN 69 N 3.45 6.65 0.58 3.32 2.47 -1.26 -4.87 114.94 125.28 3ivc s ASN 69 Ca 0.20 0.99 0.36 0.00 0.42 0.00 0.00 52.86 54.82 3ivc s ASN 69 Cb -0.18 -2.54 1.73 0.00 -1.45 0.00 0.00 41.25 38.81 3ivc s ASN 69 CO 0.10 -1.14 2.13 1.55 -3.72 0.00 0.00 177.10 176.02 3ivc h PRO 70 N 9.33 0.00 -0.00 0.43 0.13 -1.93 -2.28 132.00 137.68 3ivc h PRO 70 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3ivc h PRO 70 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3ivc h PRO 70 CO 1.06 0.03 0.00 -1.33 -0.23 0.00 0.00 178.00 177.53 3ivc n MET 71 N -3.19 0.93 -0.24 0.86 2.81 -1.26 -0.52 117.12 116.52 3ivc n MET 71 Ca -0.01 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.96 3ivc n MET 71 Cb 0.22 -1.00 0.13 0.00 -0.71 0.00 0.00 33.22 31.86 3ivc n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ivc n GLN 72 N -0.50 1.17 -3.92 0.03 10.64 -0.86 -4.24 117.38 119.71 3ivc n GLN 72 Ca 0.00 -2.52 -0.09 0.00 -1.83 0.00 0.00 57.00 52.56 3ivc n GLN 72 Cb 0.00 -1.38 -0.08 0.00 -0.86 0.00 0.00 30.24 27.92 3ivc n GLN 72 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3ivc s PHE 73 N -2.57 0.22 0.00 2.61 0.40 0.32 -4.21 117.98 114.75 3ivc s PHE 73 Ca 0.30 -0.63 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 3ivc s PHE 73 Cb 0.27 -0.14 0.00 0.00 0.51 0.00 0.00 43.02 43.66 3ivc s PHE 73 CO 0.01 -0.46 0.00 0.41 0.70 0.00 0.00 175.22 175.87 3ivc n GLY 74 N 0.22 0.93 1.81 4.36 0.00 -1.26 -4.91 105.19 106.34 3ivc n GLY 74 Ca -0.16 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3ivc n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ivc n ALA 75 N -3.00 -0.15 -3.65 4.61 0.00 -1.26 -3.35 120.51 113.71 3ivc n ALA 75 Ca 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.43 3ivc n ALA 75 Cb 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 19.45 18.22 3ivc n ALA 75 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ivc s GLY 76 N 2.68 0.03 0.00 0.00 0.00 -1.26 -4.98 107.32 103.79 3ivc s GLY 76 Ca 0.61 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.91 3ivc s GLY 76 CO 0.38 1.75 0.00 0.61 0.00 0.00 0.00 173.10 175.84 3ivc n GLY 77 N 5.33 6.20 3.74 0.20 0.00 -1.25 -4.84 105.19 114.57 3ivc n GLY 77 Ca -0.05 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.63 3ivc n GLY 77 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ivc s ASP 78 N 0.44 5.36 0.00 1.61 1.47 -1.21 -4.68 116.67 119.66 3ivc s ASP 78 Ca 0.00 -0.04 0.22 0.00 1.18 0.00 0.00 52.55 53.91 3ivc s ASP 78 Cb 0.00 -1.40 0.61 0.00 -0.34 0.00 0.00 42.92 41.79 3ivc s ASP 78 CO 0.00 0.19 1.51 0.18 0.68 0.00 0.00 175.17 177.73 3ivc n LEU 79 N 0.63 3.86 -4.84 2.11 7.99 -1.26 -4.21 117.00 121.29 3ivc n LEU 79 Ca -0.10 -1.93 -0.37 0.00 -0.01 0.00 0.00 56.01 53.60 3ivc n LEU 79 Cb 0.52 -0.45 -0.06 0.00 -0.11 0.00 0.00 43.42 43.32 3ivc n LEU 79 CO 0.41 0.95 0.00 1.51 -1.51 0.00 0.00 177.39 178.75 3ivc s ASP 80 N -1.07 6.63 -0.46 -1.43 -4.77 -1.26 -5.02 116.67 109.29 3ivc s ASP 80 Ca 0.47 0.75 -0.28 0.00 -3.30 0.00 0.00 52.55 50.19 3ivc s ASP 80 Cb 0.25 -2.18 -0.01 0.00 -1.09 0.00 0.00 42.92 39.88 3ivc s ASP 80 CO 0.33 0.32 1.71 0.00 0.70 0.00 0.00 175.17 178.22 3ivc s ALA 81 N -0.85 2.68 0.41 2.11 0.00 -1.26 -4.95 121.76 119.90 3ivc s ALA 81 Ca 0.20 -0.20 -0.26 0.00 0.00 0.00 0.00 51.96 51.71 3ivc s ALA 81 Cb -0.15 -4.10 -0.08 0.00 0.00 0.00 0.00 23.12 18.79 3ivc s ALA 81 CO 0.09 -3.01 1.27 -0.47 0.00 0.00 0.00 175.76 173.64 3ivc s TYR 82 N 7.21 2.87 0.34 0.00 5.04 -1.26 -4.90 117.35 126.65 3ivc s TYR 82 Ca 0.70 1.45 -0.29 0.00 -2.44 0.00 0.00 57.07 56.49 3ivc s TYR 82 Cb -0.17 -3.60 -0.12 0.00 0.35 0.00 0.00 41.96 38.43 3ivc s TYR 82 CO 0.29 -1.91 1.48 -2.30 -1.34 0.00 0.00 175.55 171.77 3ivc n PRO 83 N 0.07 2.56 -3.92 4.97 -0.02 -1.26 -4.97 135.00 132.43 3ivc n PRO 83 Ca 0.04 0.90 -0.27 0.00 -2.02 0.00 0.00 63.50 62.15 3ivc n PRO 83 Cb 0.44 -2.62 -0.17 0.00 -0.02 0.00 0.00 33.50 31.14 3ivc n PRO 83 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ivc s ARG 84 N -1.54 1.61 -0.40 -0.52 0.52 -1.26 -4.27 118.95 113.08 3ivc s ARG 84 Ca 0.57 -0.33 0.09 0.00 -0.52 0.00 0.00 55.73 55.55 3ivc s ARG 84 Cb -0.51 -1.71 0.29 0.00 0.52 0.00 0.00 34.95 33.54 3ivc s ARG 84 CO 0.59 -0.29 0.62 0.25 0.02 0.00 0.00 175.30 176.49 3ivc n THR 85 N 4.91 -0.27 0.01 0.02 -2.24 -1.26 -5.00 114.28 110.45 3ivc n THR 85 Ca -0.13 -4.31 -0.02 0.00 -2.27 0.00 0.00 64.05 57.32 3ivc n THR 85 Cb 0.50 -1.34 0.25 0.00 -2.10 0.00 0.00 70.33 67.64 3ivc n THR 85 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3ivc h PRO 86 N 3.62 0.49 0.54 -0.78 0.13 -1.99 -0.63 132.00 133.38 3ivc h PRO 86 Ca 0.09 -0.14 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 3ivc h PRO 86 Cb 0.89 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.98 3ivc h PRO 86 CO 0.50 0.62 -0.26 -0.44 -0.23 0.00 0.00 178.00 178.19 3ivc h ASP 87 N 0.45 -0.61 -0.92 1.44 3.32 -2.00 -1.95 116.42 116.15 3ivc h ASP 87 Ca 0.08 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3ivc h ASP 87 Cb 0.50 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.16 3ivc h ASP 87 CO 0.03 -0.34 0.59 0.44 -1.72 0.00 0.00 179.24 178.23 3ivc h ASP 88 N -0.87 1.08 -0.29 6.45 3.32 -1.97 -1.48 116.42 122.66 3ivc h ASP 88 Ca -0.07 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.00 3ivc h ASP 88 Cb 0.61 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.81 3ivc h ASP 88 CO 0.12 0.81 -0.25 0.44 -1.72 0.00 0.00 179.24 178.63 3ivc h ASP 89 N 1.26 -0.83 0.36 6.45 3.32 -0.93 0.29 116.42 126.34 3ivc h ASP 89 Ca 0.33 0.15 -0.15 0.00 0.02 0.00 0.00 57.03 57.38 3ivc h ASP 89 Cb -0.10 0.39 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3ivc h ASP 89 CO -0.07 -0.28 -0.63 -0.07 -1.72 0.00 0.00 179.24 176.47 3ivc h LEU 90 N -0.24 0.29 -0.90 1.55 3.38 -1.16 -1.58 115.31 116.66 3ivc h LEU 90 Ca 0.15 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3ivc h LEU 90 Cb 0.48 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3ivc h LEU 90 CO -0.43 0.85 -0.25 0.00 0.09 0.00 0.00 178.44 178.70 3ivc h ALA 91 N 1.15 1.06 -0.53 1.53 0.00 -0.51 0.83 119.26 122.79 3ivc h ALA 91 Ca -0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3ivc h ALA 91 Cb 1.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3ivc h ALA 91 CO 0.10 0.57 0.14 1.96 0.00 0.00 0.00 179.25 182.02 3ivc h GLN 92 N 0.46 0.85 -0.25 0.00 4.20 -0.09 -2.11 115.11 118.16 3ivc h GLN 92 Ca 0.07 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 3ivc h GLN 92 Cb 0.68 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3ivc h GLN 92 CO 0.05 0.79 0.09 -0.07 -0.67 0.00 0.00 178.83 179.02 3ivc h LEU 93 N 0.75 0.36 -0.59 1.46 3.38 -0.87 -2.66 115.31 117.13 3ivc h LEU 93 Ca 0.17 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.06 3ivc h LEU 93 Cb 0.31 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.86 3ivc h LEU 93 CO -0.00 0.45 -0.28 0.03 0.09 0.00 0.00 178.44 178.72 3ivc h ARG 94 N 0.25 -0.12 0.00 1.13 3.08 -0.81 -1.83 114.38 116.08 3ivc h ARG 94 Ca 0.08 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3ivc h ARG 94 Cb 0.21 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3ivc h ARG 94 CO -0.00 -0.08 -0.08 0.00 -1.07 0.00 0.00 179.97 178.73 3ivc h ALA 95 N 1.17 1.32 -0.04 0.04 0.00 -1.15 0.21 119.26 120.81 3ivc h ALA 95 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ivc h ALA 95 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ivc h ALA 95 CO -0.67 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.08 3ivc n GLU 96 N -3.65 1.98 -1.23 0.00 -0.58 -0.75 -4.95 120.64 111.46 3ivc n GLU 96 Ca -0.02 -1.43 -0.08 0.00 -0.42 0.00 0.00 57.16 55.21 3ivc n GLU 96 Cb 0.19 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 3ivc n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ivc n GLY 97 N 1.26 0.98 3.74 0.62 0.00 0.72 -5.00 105.19 107.50 3ivc n GLY 97 Ca 0.17 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3ivc n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ivc s VAL 98 N -2.25 2.62 -0.13 1.61 1.01 -0.90 -4.93 120.40 117.44 3ivc s VAL 98 Ca 0.00 0.50 0.19 0.00 0.00 0.00 0.00 61.98 62.67 3ivc s VAL 98 Cb 0.00 -3.32 -0.25 0.00 0.00 0.00 0.00 36.38 32.81 3ivc s VAL 98 CO 0.00 0.07 0.35 -0.62 0.00 0.00 0.00 175.10 174.90 3ivc n GLU 99 N 2.79 0.67 -4.19 2.72 1.02 -1.22 -3.86 120.64 118.56 3ivc n GLU 99 Ca 0.09 -0.01 -0.32 0.00 -0.02 0.00 0.00 57.16 56.90 3ivc n GLU 99 Cb 0.40 -1.58 -0.16 0.00 -0.02 0.00 0.00 31.44 30.07 3ivc n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ivc s ILE 100 N -2.87 1.89 -0.20 -3.67 1.01 -0.87 0.13 121.20 116.62 3ivc s ILE 100 Ca -0.08 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 3ivc s ILE 100 Cb 0.09 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 3ivc s ILE 100 CO 0.85 0.51 -0.02 0.00 0.00 0.00 0.00 174.94 176.28 3ivc s ALA 101 N 1.26 2.95 -0.30 9.38 0.00 0.22 -1.21 121.76 134.06 3ivc s ALA 101 Ca 0.03 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.89 3ivc s ALA 101 Cb -0.13 -1.71 0.01 0.00 0.00 0.00 0.00 23.12 21.28 3ivc s ALA 101 CO -0.10 -0.17 0.10 0.12 0.00 0.00 0.00 175.76 175.70 3ivc s PHE 102 N 1.04 3.16 -0.55 0.00 5.36 -0.54 -0.50 117.98 125.95 3ivc s PHE 102 Ca 0.01 -0.89 0.06 0.00 -0.96 0.00 0.00 56.93 55.16 3ivc s PHE 102 Cb -0.14 -2.28 0.24 0.00 -0.34 0.00 0.00 43.02 40.49 3ivc s PHE 102 CO 0.01 -0.55 0.63 0.25 -1.46 0.00 0.00 175.22 174.10 3ivc n THR 103 N 4.89 1.13 -1.56 0.12 -2.24 0.00 -0.64 114.28 115.98 3ivc n THR 103 Ca -0.14 -4.71 -0.33 0.00 -2.27 0.00 0.00 64.05 56.60 3ivc n THR 103 Cb 0.48 -2.04 0.07 0.00 -2.10 0.00 0.00 70.33 66.74 3ivc n THR 103 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ivc s PRO 104 N -1.86 2.54 0.66 -0.78 0.04 -1.26 -4.36 135.00 129.98 3ivc s PRO 104 Ca 0.37 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 3ivc s PRO 104 Cb 0.14 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 3ivc s PRO 104 CO -0.06 -1.45 1.04 0.95 0.04 0.00 0.00 177.00 177.52 3ivc s THR 105 N -2.47 4.35 0.33 1.26 -4.23 -1.26 -4.89 115.64 108.73 3ivc s THR 105 Ca 0.66 0.77 0.02 0.00 -1.18 0.00 0.00 61.69 61.96 3ivc s THR 105 Cb -0.20 -3.62 0.22 0.00 1.34 0.00 0.00 72.50 70.23 3ivc s THR 105 CO 0.46 -0.98 1.94 0.74 -0.54 0.00 0.00 174.62 176.24 3ivc h THR 106 N -0.49 1.18 -0.35 3.99 2.02 -1.97 -2.82 112.91 114.48 3ivc h THR 106 Ca -0.44 -0.50 -0.12 0.00 0.77 0.00 0.00 66.41 66.12 3ivc h THR 106 Cb 1.20 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 3ivc h THR 106 CO 0.59 0.21 -0.26 0.00 0.37 0.00 0.00 175.52 176.43 3ivc h ALA 107 N 1.53 0.90 -0.07 6.16 0.00 -1.94 0.15 119.26 125.99 3ivc h ALA 107 Ca 0.19 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 3ivc h ALA 107 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ivc h ALA 107 CO -0.03 0.62 -0.59 0.00 0.00 0.00 0.00 179.25 179.26 3ivc h ALA 108 N 1.10 0.87 0.03 0.00 0.00 -1.93 -2.31 119.26 117.02 3ivc h ALA 108 Ca 0.08 -0.54 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 3ivc h ALA 108 Cb 0.76 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ivc h ALA 108 CO 0.06 0.72 -0.98 0.52 0.00 0.00 0.00 179.25 179.58 3ivc h MET 109 N 0.17 0.30 -1.65 0.00 2.86 -1.23 -3.39 114.93 111.99 3ivc h MET 109 Ca -0.00 -0.36 -0.52 0.00 -2.06 0.00 0.00 59.70 56.76 3ivc h MET 109 Cb 1.09 0.11 -0.41 0.00 0.06 0.00 0.00 31.60 32.44 3ivc h MET 109 CO 0.09 1.07 -0.90 0.66 1.06 0.00 0.00 176.91 178.89 3ivc n TYR 110 N -3.67 2.50 0.31 -0.22 4.02 0.51 -4.90 117.16 115.71 3ivc n TYR 110 Ca -0.06 -3.36 0.20 0.00 -0.01 0.00 0.00 57.90 54.67 3ivc n TYR 110 Cb 0.86 -0.31 0.98 0.00 -0.02 0.00 0.00 39.34 40.86 3ivc n TYR 110 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3ivc h PRO 111 N 2.85 0.00 -0.09 -0.72 0.13 -1.62 -1.18 132.00 131.36 3ivc h PRO 111 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 3ivc h PRO 111 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 3ivc h PRO 111 CO 0.70 0.00 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.17 3ivc n ASP 112 N -3.05 2.73 0.00 1.44 8.00 -1.26 -5.10 116.55 119.32 3ivc n ASP 112 Ca -0.01 -3.18 0.00 0.00 0.71 0.00 0.00 54.79 52.30 3ivc n ASP 112 Cb 0.17 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 3ivc n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ivc n GLY 113 N -1.13 0.86 3.40 0.44 0.00 -0.45 -4.14 105.19 104.18 3ivc n GLY 113 Ca 0.19 -0.71 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 3ivc n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ivc s LEU 114 N 0.00 5.30 0.00 0.99 1.43 -1.26 -4.85 118.68 120.29 3ivc s LEU 114 Ca 0.00 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 3ivc s LEU 114 Cb 0.00 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.88 3ivc s LEU 114 CO 0.00 -0.90 0.00 -1.14 0.23 0.00 0.00 176.35 174.54 3ivc n ARG 115 N 5.96 0.00 -2.61 1.70 0.63 -1.26 -4.98 116.66 116.11 3ivc n ARG 115 Ca -0.09 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.42 3ivc n ARG 115 Cb 0.44 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.32 3ivc n ARG 115 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3ivc s THR 116 N 0.04 4.58 0.26 5.15 2.01 -1.26 -5.02 115.64 121.40 3ivc s THR 116 Ca 0.00 1.86 0.01 0.00 0.31 0.00 0.00 61.69 63.87 3ivc s THR 116 Cb 0.00 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 3ivc s THR 116 CO 0.00 0.09 0.11 0.42 -0.69 0.00 0.00 174.62 174.54 3ivc s THR 117 N 1.46 0.50 -0.11 -0.82 -4.23 -1.26 -5.12 115.64 106.07 3ivc s THR 117 Ca 0.53 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.88 3ivc s THR 117 Cb -0.23 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 3ivc s THR 117 CO 0.25 0.00 0.41 -0.69 -0.54 0.00 0.00 174.62 174.05 3ivc s VAL 118 N -3.75 5.19 -0.42 2.29 1.01 -1.26 -5.05 120.40 118.41 3ivc s VAL 118 Ca 0.37 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 63.02 3ivc s VAL 118 Cb 0.07 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.73 3ivc s VAL 118 CO 0.14 0.40 0.32 -1.58 0.00 0.00 0.00 175.10 174.38 3ivc s GLN 119 N 0.23 2.98 0.85 2.72 2.00 -1.26 -4.69 119.66 122.50 3ivc s GLN 119 Ca 0.23 -1.01 -0.11 0.00 -2.00 0.00 0.00 55.36 52.46 3ivc s GLN 119 Cb -0.15 -3.99 0.10 0.00 0.80 0.00 0.00 33.01 29.78 3ivc s GLN 119 CO 0.09 -0.78 1.09 -2.14 -0.50 0.00 0.00 175.29 173.05 3ivc s PRO 120 N 1.73 1.60 1.22 1.67 0.02 -1.26 -5.04 135.00 134.94 3ivc s PRO 120 Ca 0.06 0.81 -0.20 0.00 0.02 0.00 0.00 61.00 61.68 3ivc s PRO 120 Cb -0.19 -1.85 0.30 0.00 0.02 0.00 0.00 34.50 32.78 3ivc s PRO 120 CO 0.10 -2.00 1.14 0.20 -0.33 0.00 0.00 177.00 176.11 3ivc s GLY 121 N -3.55 1.61 0.05 0.52 0.00 -1.26 -4.88 107.32 99.81 3ivc s GLY 121 Ca 0.62 -1.10 0.19 0.00 0.00 0.00 0.00 44.72 44.43 3ivc s GLY 121 CO 0.56 -0.16 1.59 -1.55 0.00 0.00 0.00 173.10 173.53 3ivc n PRO 122 N -4.79 0.04 -0.03 2.90 -0.04 -1.26 -1.85 135.00 129.97 3ivc n PRO 122 Ca 0.15 0.24 0.23 0.00 -0.04 0.00 0.00 63.50 64.09 3ivc n PRO 122 Cb 0.60 -1.57 0.72 0.00 -0.04 0.00 0.00 33.50 33.21 3ivc n PRO 122 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3ivc h LEU 123 N 0.00 0.00 -0.64 1.53 5.85 -1.97 -2.30 115.31 117.78 3ivc h LEU 123 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ivc h LEU 123 Cb 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3ivc h LEU 123 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 3ivc n ALA 124 N -2.55 1.74 1.31 1.25 0.00 -0.77 -1.99 120.51 119.50 3ivc n ALA 124 Ca 0.12 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.77 3ivc n ALA 124 Cb 0.75 -1.41 0.46 0.00 0.00 0.00 0.00 19.45 19.25 3ivc n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ivc n ALA 125 N -1.79 2.95 -2.87 0.00 0.00 -0.86 -3.86 120.51 114.07 3ivc n ALA 125 Ca 0.02 -0.36 -0.23 0.00 0.00 0.00 0.00 53.44 52.88 3ivc n ALA 125 Cb 0.26 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 3ivc n ALA 125 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ivc s GLU 126 N -2.47 3.12 4.80 0.00 2.02 -0.84 -2.53 118.70 122.79 3ivc s GLU 126 Ca 0.26 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.36 3ivc s GLU 126 Cb 0.20 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.72 3ivc s GLU 126 CO 0.50 0.44 0.00 1.28 0.02 0.00 0.00 175.26 177.49 3ivc n LEU 127 N -1.04 0.00 0.25 1.80 4.77 -1.26 0.09 117.00 121.61 3ivc n LEU 127 Ca -0.08 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.01 3ivc n LEU 127 Cb 0.57 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.28 3ivc n LEU 127 CO 0.44 0.00 0.90 -0.33 -1.33 0.00 0.00 177.39 177.07 3ivc h GLU 128 N 0.00 0.00 0.00 3.23 4.39 -1.92 -3.17 114.58 117.11 3ivc h GLU 128 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ivc h GLU 128 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ivc h GLU 128 CO 0.00 0.17 -0.51 0.78 -1.16 0.00 0.00 179.01 178.29 3ivc h GLY 129 N 1.36 0.00 -0.20 -3.84 0.00 -0.46 -3.39 103.07 96.55 3ivc h GLY 129 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3ivc h GLY 129 CO 0.02 0.00 -0.53 -1.33 0.00 0.00 0.00 176.54 174.70 3ivc h GLY 130 N 4.26 -0.99 0.96 4.60 0.00 -1.46 -2.62 103.07 107.83 3ivc h GLY 130 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.99 3ivc h GLY 130 CO 0.00 -0.18 -0.08 -1.55 0.00 0.00 0.00 176.54 174.73 3ivc n PRO 131 N -5.42 0.72 -3.00 4.80 -0.04 -1.26 -4.51 135.00 126.29 3ivc n PRO 131 Ca -0.05 -0.20 -0.17 0.00 -0.04 0.00 0.00 63.50 63.04 3ivc n PRO 131 Cb 0.37 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 3ivc n PRO 131 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3ivc n ARG 132 N -0.97 0.72 0.30 0.54 1.85 -1.01 -4.65 116.66 113.44 3ivc n ARG 132 Ca 0.16 -2.55 0.19 0.00 -1.00 0.00 0.00 57.85 54.64 3ivc n ARG 132 Cb 0.26 -1.34 0.86 0.00 -1.05 0.00 0.00 32.46 31.18 3ivc n ARG 132 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3ivc h PRO 133 N 4.08 0.00 -0.22 2.89 0.13 -1.73 -2.32 132.00 134.83 3ivc h PRO 133 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3ivc h PRO 133 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3ivc h PRO 133 CO 0.39 0.02 0.00 0.25 -0.23 0.00 0.00 178.00 178.43 3ivc n THR 134 N -3.15 0.45 0.10 1.56 -2.24 -1.26 -4.75 114.28 104.99 3ivc n THR 134 Ca -0.01 -0.72 -0.13 0.00 -2.27 0.00 0.00 64.05 60.92 3ivc n THR 134 Cb 0.23 0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 3ivc n THR 134 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3ivc h HIS 135 N 2.84 -0.15 0.00 4.78 6.17 -1.74 -2.78 115.15 124.28 3ivc h HIS 135 Ca 0.00 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 3ivc h HIS 135 Cb 0.71 0.05 -0.00 0.00 2.52 0.00 0.00 27.41 30.69 3ivc h HIS 135 CO 0.14 -0.07 -0.05 0.74 0.71 0.00 0.00 177.93 179.40 3ivc h PHE 136 N -0.19 0.00 -0.17 5.26 -1.00 -1.85 -1.41 116.94 117.58 3ivc h PHE 136 Ca -0.02 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.68 3ivc h PHE 136 Cb 0.15 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 3ivc h PHE 136 CO -0.06 0.05 -0.28 0.00 -1.61 0.00 0.00 178.31 176.41 3ivc h ALA 137 N 1.95 1.22 0.06 2.45 0.00 -1.77 -0.57 119.26 122.59 3ivc h ALA 137 Ca -0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 3ivc h ALA 137 Cb 0.45 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.16 3ivc h ALA 137 CO 0.01 0.51 -0.81 0.78 0.00 0.00 0.00 179.25 179.74 3ivc h GLY 138 N 1.02 0.50 0.93 0.00 0.00 -1.13 -1.08 103.07 103.31 3ivc h GLY 138 Ca 0.04 -0.99 0.01 0.00 0.00 0.00 0.00 47.33 46.39 3ivc h GLY 138 CO 0.05 0.87 0.14 -2.08 0.00 0.00 0.00 176.54 175.52 3ivc h VAL 139 N -0.07 1.02 0.00 4.60 2.07 -1.15 -2.28 116.25 120.45 3ivc h VAL 139 Ca -0.12 -0.10 -0.18 0.00 0.82 0.00 0.00 66.70 67.12 3ivc h VAL 139 Cb 1.54 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3ivc h VAL 139 CO 0.16 0.05 -0.84 -0.07 0.02 0.00 0.00 177.57 176.89 3ivc h LEU 140 N 0.29 0.07 0.03 2.57 3.38 -1.07 -0.05 115.31 120.54 3ivc h LEU 140 Ca 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ivc h LEU 140 Cb 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3ivc h LEU 140 CO -0.05 0.87 -0.02 0.74 0.09 0.00 0.00 178.44 180.07 3ivc h THR 141 N 0.03 1.11 -0.35 0.22 2.02 -1.16 -0.90 112.91 113.88 3ivc h THR 141 Ca -0.02 -0.44 -0.13 0.00 0.77 0.00 0.00 66.41 66.59 3ivc h THR 141 Cb 1.46 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 3ivc h THR 141 CO 0.11 0.11 -0.31 1.62 0.37 0.00 0.00 175.52 177.43 3ivc h VAL 142 N -0.24 1.28 -0.32 3.16 3.04 -1.03 -2.10 116.25 120.04 3ivc h VAL 142 Ca -0.00 -1.46 -0.04 0.00 -1.01 0.00 0.00 66.70 64.19 3ivc h VAL 142 Cb 0.22 1.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 3ivc h VAL 142 CO 0.01 0.48 0.02 0.58 -1.01 0.00 0.00 177.57 177.65 3ivc h VAL 143 N 0.63 1.25 -0.50 1.51 2.07 -0.98 0.10 116.25 120.34 3ivc h VAL 143 Ca 0.07 -0.89 0.10 0.00 0.82 0.00 0.00 66.70 66.80 3ivc h VAL 143 Cb 0.84 1.21 -0.09 0.00 -1.52 0.00 0.00 31.29 31.73 3ivc h VAL 143 CO 0.07 0.29 -0.09 0.25 0.02 0.00 0.00 177.57 178.11 3ivc h LEU 144 N 0.35 -0.39 -0.10 2.57 5.85 -1.14 -1.28 115.31 121.16 3ivc h LEU 144 Ca 0.09 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3ivc h LEU 144 Cb 0.40 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 3ivc h LEU 144 CO 0.01 -0.14 0.06 0.11 -0.34 0.00 0.00 178.44 178.14 3ivc h LYS 145 N 0.03 0.14 -0.87 1.25 1.57 -0.88 -1.50 116.57 116.31 3ivc h LYS 145 Ca 0.24 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.14 3ivc h LYS 145 Cb 0.37 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.57 3ivc h LYS 145 CO -0.49 0.15 0.49 -0.07 -0.57 0.00 0.00 179.45 178.96 3ivc h LEU 146 N 0.09 0.65 -1.14 2.94 3.38 -0.58 -0.77 115.31 119.88 3ivc h LEU 146 Ca 0.04 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3ivc h LEU 146 Cb 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3ivc h LEU 146 CO -0.01 0.32 -0.21 -0.07 0.09 0.00 0.00 178.44 178.56 3ivc h LEU 147 N 0.74 0.33 -0.02 1.67 3.38 -0.78 -1.15 115.31 119.48 3ivc h LEU 147 Ca 0.45 -0.09 -0.25 0.00 0.09 0.00 0.00 57.88 58.08 3ivc h LEU 147 Cb 0.54 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ivc h LEU 147 CO -0.31 0.56 -1.10 1.56 0.09 0.00 0.00 178.44 179.24 3ivc h GLN 148 N 0.31 0.28 0.14 1.13 1.08 -0.48 0.16 115.11 117.73 3ivc h GLN 148 Ca 0.05 -0.40 -0.01 0.00 -1.45 0.00 0.00 58.65 56.85 3ivc h GLN 148 Cb 0.55 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 3ivc h GLN 148 CO 0.04 1.14 -0.07 0.82 -0.95 0.00 0.00 178.83 179.81 3ivc h ILE 149 N 0.11 1.00 0.00 2.54 2.04 -1.05 -3.35 117.51 118.81 3ivc h ILE 149 Ca -0.10 -0.99 -0.24 0.00 1.00 0.00 0.00 64.86 64.54 3ivc h ILE 149 Cb 1.79 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 39.41 3ivc h ILE 149 CO 0.18 0.22 -1.28 0.58 0.00 0.00 0.00 178.15 177.84 3ivc h VAL 150 N -0.70 1.26 -6.61 1.67 2.07 -1.32 -3.35 116.25 109.27 3ivc h VAL 150 Ca -0.02 -3.00 -0.52 0.00 0.82 0.00 0.00 66.70 63.97 3ivc h VAL 150 Cb 0.51 2.61 0.02 0.00 -1.52 0.00 0.00 31.29 32.92 3ivc h VAL 150 CO 0.03 0.72 -0.98 0.54 0.02 0.00 0.00 177.57 177.90 3ivc n ARG 151 N -3.20 -0.80 -1.69 1.57 1.74 0.56 -4.83 116.66 110.02 3ivc n ARG 151 Ca -0.07 0.25 -0.31 0.00 -0.77 0.00 0.00 57.85 56.95 3ivc n ARG 151 Cb 0.97 -3.33 0.04 0.00 -1.02 0.00 0.00 32.46 29.12 3ivc n ARG 151 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ivc s PRO 152 N -6.77 3.02 0.08 5.56 0.04 -1.26 -4.85 135.00 130.83 3ivc s PRO 152 Ca 0.46 0.80 -0.17 0.00 0.04 0.00 0.00 61.00 62.12 3ivc s PRO 152 Cb -0.21 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 3ivc s PRO 152 CO 0.92 -1.00 1.45 -0.44 0.04 0.00 0.00 177.00 177.98 3ivc h ASP 153 N -0.64 0.56 -4.79 6.66 3.32 -1.24 -3.42 116.42 116.86 3ivc h ASP 153 Ca -0.44 -0.40 -0.23 0.00 0.02 0.00 0.00 57.03 55.98 3ivc h ASP 153 Cb 1.22 -0.15 -0.18 0.00 0.22 0.00 0.00 39.33 40.43 3ivc h ASP 153 CO 0.59 0.84 -0.71 -0.13 -1.72 0.00 0.00 179.24 178.11 3ivc s ARG 154 N -4.62 0.61 -0.00 3.56 0.52 -1.24 -1.22 118.95 116.56 3ivc s ARG 154 Ca -0.13 -0.98 0.04 0.00 -0.52 0.00 0.00 55.73 54.14 3ivc s ARG 154 Cb 0.08 -0.16 -0.01 0.00 0.52 0.00 0.00 34.95 35.38 3ivc s ARG 154 CO 0.78 -0.00 -0.14 0.54 0.02 0.00 0.00 175.30 176.50 3ivc s VAL 155 N -2.42 1.09 -0.11 3.52 0.11 0.15 -1.63 120.40 121.10 3ivc s VAL 155 Ca -0.02 -0.67 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 3ivc s VAL 155 Cb -0.03 -0.92 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 3ivc s VAL 155 CO -0.03 0.25 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.40 3ivc s PHE 156 N -0.42 2.60 0.03 1.54 0.40 -0.20 -0.04 117.98 121.88 3ivc s PHE 156 Ca 0.05 -1.14 0.04 0.00 -0.60 0.00 0.00 56.93 55.28 3ivc s PHE 156 Cb -0.06 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 3ivc s PHE 156 CO -0.00 -0.48 -0.13 -0.06 0.70 0.00 0.00 175.22 175.25 3ivc s PHE 157 N 0.50 1.11 0.65 0.36 0.40 -0.60 -4.27 117.98 116.13 3ivc s PHE 157 Ca -0.15 -0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 55.70 3ivc s PHE 157 Cb -0.17 -0.67 -0.01 0.00 0.51 0.00 0.00 43.02 42.68 3ivc s PHE 157 CO 0.05 0.01 1.12 0.20 0.70 0.00 0.00 175.22 177.31 3ivc s GLY 158 N -0.95 2.25 0.08 4.36 0.00 -1.26 -1.40 107.32 110.39 3ivc s GLY 158 Ca 0.01 0.62 0.27 0.00 0.00 0.00 0.00 44.72 45.62 3ivc s GLY 158 CO 0.01 0.98 1.73 1.18 0.00 0.00 0.00 173.10 177.00 3ivc n GLU 159 N -2.27 0.12 -0.27 2.90 1.02 -0.71 -4.15 120.64 117.27 3ivc n GLU 159 Ca 0.11 0.08 -0.01 0.00 -0.02 0.00 0.00 57.16 57.31 3ivc n GLU 159 Cb 0.52 -1.62 0.11 0.00 -0.02 0.00 0.00 31.44 30.43 3ivc n GLU 159 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3ivc h LYS 160 N 0.00 0.87 -4.12 3.49 1.63 -1.92 -3.09 116.57 113.42 3ivc h LYS 160 Ca 0.00 -0.05 -0.77 0.00 -0.85 0.00 0.00 60.65 58.98 3ivc h LYS 160 Cb 0.60 -0.20 -0.23 0.00 -0.60 0.00 0.00 32.23 31.81 3ivc h LYS 160 CO 0.00 0.57 0.92 -0.25 -3.45 0.00 0.00 179.45 177.25 3ivc n ASP 161 N -4.66 5.39 0.08 4.20 8.00 -1.26 -4.49 116.55 123.82 3ivc n ASP 161 Ca 0.10 -3.02 -0.17 0.00 0.71 0.00 0.00 54.79 52.41 3ivc n ASP 161 Cb 0.13 -1.47 -0.09 0.00 -0.02 0.00 0.00 41.12 39.67 3ivc n ASP 161 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3ivc h TYR 162 N 6.84 0.75 -0.56 1.24 3.20 -1.84 -2.61 116.97 123.99 3ivc h TYR 162 Ca 0.25 -0.45 0.01 0.00 3.14 0.00 0.00 58.73 61.68 3ivc h TYR 162 Cb 0.86 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 3ivc h TYR 162 CO 0.93 1.30 0.37 0.37 -1.64 0.00 0.00 178.16 179.49 3ivc h GLN 163 N 0.23 0.72 -0.72 1.82 4.15 -1.89 -1.97 115.11 117.46 3ivc h GLN 163 Ca -0.13 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.26 3ivc h GLN 163 Cb 1.77 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 29.26 3ivc h GLN 163 CO 0.20 0.48 0.47 0.37 -1.93 0.00 0.00 178.83 178.42 3ivc h GLN 164 N 0.75 0.92 -0.36 1.69 4.15 -1.95 -1.05 115.11 119.26 3ivc h GLN 164 Ca 0.21 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 3ivc h GLN 164 Cb -0.07 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.39 3ivc h GLN 164 CO -0.05 0.61 0.20 1.25 -1.93 0.00 0.00 178.83 178.91 3ivc h LEU 165 N 0.95 0.45 -0.49 -2.39 5.85 -1.17 -0.83 115.31 117.68 3ivc h LEU 165 Ca 0.27 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3ivc h LEU 165 Cb -0.08 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3ivc h LEU 165 CO -0.07 0.40 0.30 0.58 -0.34 0.00 0.00 178.44 179.31 3ivc h VAL 166 N 0.46 1.08 -0.28 1.05 2.07 -1.09 -0.94 116.25 118.60 3ivc h VAL 166 Ca 0.13 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3ivc h VAL 166 Cb 0.04 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3ivc h VAL 166 CO -0.02 0.11 -0.11 -0.07 0.02 0.00 0.00 177.57 177.49 3ivc h LEU 167 N 0.61 0.45 -0.69 2.57 3.38 -0.82 0.24 115.31 121.05 3ivc h LEU 167 Ca 0.19 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 3ivc h LEU 167 Cb -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ivc h LEU 167 CO -0.07 0.60 -0.48 0.40 0.09 0.00 0.00 178.44 178.98 3ivc h ILE 168 N 0.44 1.32 -0.67 1.22 2.04 -0.91 0.74 117.51 121.69 3ivc h ILE 168 Ca 0.08 -1.69 -0.07 0.00 1.00 0.00 0.00 64.86 64.18 3ivc h ILE 168 Cb 0.47 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3ivc h ILE 168 CO 0.03 0.52 0.13 0.03 0.00 0.00 0.00 178.15 178.85 3ivc h ARG 169 N 0.35 1.09 0.02 2.37 3.08 -0.48 -1.83 114.38 118.97 3ivc h ARG 169 Ca 0.02 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 59.82 3ivc h ARG 169 Cb 0.97 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 3ivc h ARG 169 CO 0.08 0.98 -0.16 1.96 -1.07 0.00 0.00 179.97 181.77 3ivc h GLN 170 N 1.02 -0.26 -0.13 0.04 4.20 -0.54 -1.25 115.11 118.20 3ivc h GLN 170 Ca 0.21 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.98 3ivc h GLN 170 Cb 0.41 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.18 3ivc h GLN 170 CO 0.01 -0.17 -0.31 1.25 -0.67 0.00 0.00 178.83 178.94 3ivc h LEU 171 N -0.27 -0.95 -0.16 1.46 5.85 -0.67 0.19 115.31 120.75 3ivc h LEU 171 Ca 0.05 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3ivc h LEU 171 Cb 0.32 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3ivc h LEU 171 CO -0.14 -0.35 0.08 0.58 -0.34 0.00 0.00 178.44 178.27 3ivc h VAL 172 N -0.38 0.99 0.64 1.05 2.07 -1.34 -0.04 116.25 119.25 3ivc h VAL 172 Ca 0.10 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3ivc h VAL 172 Cb 0.53 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3ivc h VAL 172 CO -0.34 0.03 -0.47 0.00 0.02 0.00 0.00 177.57 176.81 3ivc h ALA 173 N 1.09 -1.13 -0.48 1.67 0.00 -1.04 -0.88 119.26 118.48 3ivc h ALA 173 Ca 0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3ivc h ALA 173 Cb 0.02 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3ivc h ALA 173 CO -0.05 -1.16 0.12 -0.44 0.00 0.00 0.00 179.25 177.72 3ivc h ASP 174 N -1.06 0.66 -0.59 0.00 3.32 -0.55 -1.91 116.42 116.27 3ivc h ASP 174 Ca -0.08 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3ivc h ASP 174 Cb 0.88 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3ivc h ASP 174 CO 0.04 0.65 0.00 0.49 -1.72 0.00 0.00 179.24 178.69 3ivc n PHE 175 N -4.30 0.86 -3.30 4.55 0.99 -0.04 -4.95 117.46 111.27 3ivc n PHE 175 Ca 0.03 -0.41 -0.22 0.00 -0.00 0.00 0.00 57.45 56.85 3ivc n PHE 175 Cb 0.20 -0.03 0.06 0.00 -1.00 0.00 0.00 39.48 38.72 3ivc n PHE 175 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3ivc n ASN 176 N 1.21 -5.99 -4.72 4.37 4.13 -0.72 -4.91 115.26 108.64 3ivc n ASN 176 Ca 0.20 -0.41 -0.42 0.00 1.68 0.00 0.00 54.58 55.64 3ivc n ASN 176 Cb 0.54 -4.69 -0.03 0.00 -1.54 0.00 0.00 39.78 34.06 3ivc n ASN 176 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3ivc s LEU 177 N -6.61 4.41 -1.37 3.41 1.43 -0.40 -4.92 118.68 114.63 3ivc s LEU 177 Ca 0.44 2.05 -0.09 0.00 -1.03 0.00 0.00 54.13 55.50 3ivc s LEU 177 Cb -0.19 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.53 3ivc s LEU 177 CO 0.55 -0.38 2.24 -0.67 0.23 0.00 0.00 176.35 178.32 3ivc n ASP 178 N 3.30 6.35 -3.88 2.29 2.03 -1.26 -4.85 116.55 120.54 3ivc n ASP 178 Ca 0.06 -3.01 -0.11 0.00 0.52 0.00 0.00 54.79 52.26 3ivc n ASP 178 Cb 0.46 -1.48 -0.10 0.00 -0.72 0.00 0.00 41.12 39.28 3ivc n ASP 178 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3ivc s VAL 179 N 0.55 0.07 -0.19 5.18 0.11 -1.26 -4.80 120.40 120.07 3ivc s VAL 179 Ca 0.49 -0.60 -0.09 0.00 -2.93 0.00 0.00 61.98 58.86 3ivc s VAL 179 Cb 0.14 -0.37 -0.05 0.00 -1.53 0.00 0.00 36.38 34.57 3ivc s VAL 179 CO -0.05 -0.33 0.12 0.00 -3.33 0.00 0.00 175.10 171.52 3ivc s ALA 180 N -1.14 3.68 -0.29 1.54 0.00 -0.36 -4.97 121.76 120.23 3ivc s ALA 180 Ca -0.12 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 3ivc s ALA 180 Cb -0.07 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 3ivc s ALA 180 CO 0.01 0.22 0.41 0.08 0.00 0.00 0.00 175.76 176.48 3ivc s VAL 181 N 0.17 5.14 -0.31 0.00 1.01 -1.26 -0.68 120.40 124.47 3ivc s VAL 181 Ca 0.08 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 62.48 3ivc s VAL 181 Cb -0.11 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 3ivc s VAL 181 CO -0.01 0.07 0.14 -0.69 0.00 0.00 0.00 175.10 174.61 3ivc s VAL 182 N 2.13 4.44 0.01 2.92 1.01 0.94 -4.95 120.40 126.90 3ivc s VAL 182 Ca 0.16 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 3ivc s VAL 182 Cb -0.16 -3.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 3ivc s VAL 182 CO 0.10 0.05 0.51 -0.83 0.00 0.00 0.00 175.10 174.93 3ivc s GLY 183 N 1.58 2.56 -0.09 4.51 0.00 -1.26 -1.55 107.32 113.07 3ivc s GLY 183 Ca 0.04 -0.08 0.04 0.00 0.00 0.00 0.00 44.72 44.72 3ivc s GLY 183 CO 0.05 0.45 -0.22 0.14 0.00 0.00 0.00 173.10 173.52 3ivc s VAL 184 N -0.70 2.25 0.45 1.40 1.01 -0.50 -4.94 120.40 119.38 3ivc s VAL 184 Ca 0.27 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 3ivc s VAL 184 Cb -0.18 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 3ivc s VAL 184 CO 0.16 0.56 1.04 -2.65 0.00 0.00 0.00 175.10 174.21 3ivc n PRO 185 N 3.28 1.36 -1.79 2.72 -0.02 -1.26 -1.74 135.00 137.56 3ivc n PRO 185 Ca -0.18 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 3ivc n PRO 185 Cb 0.53 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 3ivc n PRO 185 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ivc s THR 186 N -1.31 2.15 0.21 3.45 2.01 -1.26 -4.77 115.64 116.12 3ivc s THR 186 Ca 0.65 0.12 -0.28 0.00 0.31 0.00 0.00 61.69 62.48 3ivc s THR 186 Cb -0.52 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 68.83 3ivc s THR 186 CO 0.55 0.01 0.88 -0.69 -0.69 0.00 0.00 174.62 174.69 3ivc s VAL 187 N 0.73 4.19 0.13 3.82 1.01 -1.26 -4.99 120.40 124.03 3ivc s VAL 187 Ca 0.70 1.95 0.08 0.00 0.00 0.00 0.00 61.98 64.71 3ivc s VAL 187 Cb -0.48 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 3ivc s VAL 187 CO 0.38 0.50 -0.20 -0.13 0.00 0.00 0.00 175.10 175.65 3ivc s ARG 188 N -1.13 1.21 1.11 2.72 0.52 -1.26 -1.22 118.95 120.89 3ivc s ARG 188 Ca 0.39 -1.29 -0.14 0.00 -0.52 0.00 0.00 55.73 54.18 3ivc s ARG 188 Cb -0.25 -1.39 0.25 0.00 0.52 0.00 0.00 34.95 34.08 3ivc s ARG 188 CO 0.30 0.30 1.06 -1.21 0.02 0.00 0.00 175.30 175.78 3ivc s GLU 189 N -2.33 -0.45 0.35 3.54 0.41 0.21 -4.86 118.70 115.57 3ivc s GLU 189 Ca 0.11 0.52 0.03 0.00 -0.41 0.00 0.00 54.97 55.22 3ivc s GLU 189 Cb -0.08 -1.63 0.65 0.00 -1.78 0.00 0.00 34.13 31.29 3ivc s GLU 189 CO 0.05 -3.33 1.99 0.00 -0.49 0.00 0.00 175.26 173.49 3ivc h ALA 190 N -2.32 1.53 -0.03 5.21 0.00 -2.01 -0.05 119.26 121.58 3ivc h ALA 190 Ca -0.56 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3ivc h ALA 190 Cb 1.33 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ivc h ALA 190 CO 0.52 0.41 0.00 -0.40 0.00 0.00 0.00 179.25 179.78 3ivc n ASP 191 N -4.42 0.49 0.00 0.00 5.75 -1.26 -4.92 116.55 112.20 3ivc n ASP 191 Ca 0.05 -1.37 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 3ivc n ASP 191 Cb 0.08 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3ivc n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ivc n GLY 192 N 0.96 0.24 3.71 6.12 0.00 -0.03 -4.88 105.19 111.31 3ivc n GLY 192 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3ivc n GLY 192 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ivc s LEU 193 N 0.00 4.38 0.20 0.99 2.96 -1.26 -4.62 118.68 121.33 3ivc s LEU 193 Ca 0.00 2.72 -0.32 0.00 -0.22 0.00 0.00 54.13 56.31 3ivc s LEU 193 Cb 0.00 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.98 3ivc s LEU 193 CO 0.00 -0.92 1.70 0.00 -1.32 0.00 0.00 176.35 175.81 3ivc n ALA 194 N 4.55 2.63 -1.77 5.97 0.00 -1.26 0.67 120.51 131.30 3ivc n ALA 194 Ca 0.16 0.41 -0.40 0.00 0.00 0.00 0.00 53.44 53.60 3ivc n ALA 194 Cb 0.37 -2.50 -0.00 0.00 0.00 0.00 0.00 19.45 17.32 3ivc n ALA 194 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ivc s MET 195 N 1.10 4.05 -0.21 0.00 -1.94 -0.36 -4.83 119.30 117.11 3ivc s MET 195 Ca 0.75 2.39 -0.27 0.00 -1.71 0.00 0.00 55.69 56.85 3ivc s MET 195 Cb -0.53 -2.89 0.08 0.00 2.01 0.00 0.00 34.83 33.50 3ivc s MET 195 CO 0.33 -0.51 0.76 0.45 -0.01 0.00 0.00 175.02 176.05 3ivc s SER 196 N -0.40 -0.67 0.57 3.03 0.15 -1.26 -4.96 113.70 110.15 3ivc s SER 196 Ca 0.54 1.15 0.26 0.00 0.70 0.00 0.00 55.95 58.61 3ivc s SER 196 Cb -0.43 1.12 1.62 0.00 -1.71 0.00 0.00 66.02 66.62 3ivc s SER 196 CO 0.57 -0.33 2.16 0.28 1.20 0.00 0.00 173.24 177.13 3ivc h SER 197 N 4.31 0.00 0.08 5.45 0.02 -1.94 -2.02 113.55 119.45 3ivc h SER 197 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3ivc h SER 197 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3ivc h SER 197 CO 0.15 0.00 -0.03 0.54 -1.14 0.00 0.00 176.83 176.35 3ivc n ARG 198 N -4.02 1.15 0.26 3.45 1.74 -1.26 -3.76 116.66 114.21 3ivc n ARG 198 Ca -0.01 -0.39 0.12 0.00 -0.77 0.00 0.00 57.85 56.81 3ivc n ARG 198 Cb 0.20 -1.49 0.70 0.00 -1.02 0.00 0.00 32.46 30.85 3ivc n ARG 198 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3ivc h ASN 199 N 0.94 0.00 1.04 0.55 2.35 -1.75 -2.59 115.58 116.12 3ivc h ASN 199 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ivc h ASN 199 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3ivc h ASN 199 CO 0.00 0.13 0.00 0.08 -1.65 0.00 0.00 177.43 175.99 3ivc h ARG 200 N 0.00 0.00 0.00 0.81 0.11 -1.79 -2.63 114.38 110.88 3ivc h ARG 200 Ca -0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 3ivc h ARG 200 Cb 0.36 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.43 3ivc h ARG 200 CO 0.02 0.00 -0.09 1.88 0.10 0.00 0.00 179.97 181.88 3ivc h TYR 201 N 0.00 0.00 -3.04 4.08 0.99 -1.74 -3.45 116.97 113.82 3ivc h TYR 201 Ca 0.00 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.19 3ivc h TYR 201 Cb 0.52 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.25 3ivc h TYR 201 CO 0.00 0.09 0.72 -0.51 -0.00 0.00 0.00 178.16 178.45 3ivc s LEU 202 N -6.80 4.33 0.83 3.88 1.43 -0.99 -5.02 118.68 116.34 3ivc s LEU 202 Ca -0.02 2.06 -0.12 0.00 -1.03 0.00 0.00 54.13 55.02 3ivc s LEU 202 Cb 0.12 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.86 3ivc s LEU 202 CO 0.56 -0.61 1.11 1.51 0.23 0.00 0.00 176.35 179.14 3ivc s ASP 203 N 1.46 4.18 0.19 2.29 1.47 -1.26 -4.63 116.67 120.36 3ivc s ASP 203 Ca 0.61 1.20 -0.22 0.00 1.18 0.00 0.00 52.55 55.31 3ivc s ASP 203 Cb -0.30 -1.88 0.10 0.00 -0.34 0.00 0.00 42.92 40.50 3ivc s ASP 203 CO 0.27 -2.16 1.57 -0.65 0.68 0.00 0.00 175.17 174.89 3ivc h PRO 204 N -1.22 -0.16 -0.37 2.11 0.11 -1.99 0.15 132.00 130.64 3ivc h PRO 204 Ca -0.48 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.71 3ivc h PRO 204 Cb 1.29 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.37 3ivc h PRO 204 CO 0.60 -0.10 -0.09 0.00 -0.21 0.00 0.00 178.00 178.20 3ivc h ALA 205 N 0.90 0.25 -0.82 -0.75 0.00 -2.00 -2.43 119.26 114.40 3ivc h ALA 205 Ca 0.23 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.28 3ivc h ALA 205 Cb 0.56 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3ivc h ALA 205 CO -0.73 -0.45 0.53 1.96 0.00 0.00 0.00 179.25 180.56 3ivc h GLN 206 N 0.01 1.08 -0.70 0.00 4.20 -1.63 -1.93 115.11 116.14 3ivc h GLN 206 Ca 0.18 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 3ivc h GLN 206 Cb 0.27 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3ivc h GLN 206 CO -0.37 0.72 0.30 -0.09 -0.67 0.00 0.00 178.83 178.72 3ivc h ARG 207 N 1.11 1.01 0.31 1.46 9.65 -0.44 0.55 114.38 128.03 3ivc h ARG 207 Ca 0.30 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 59.01 3ivc h ARG 207 Cb -0.12 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.29 3ivc h ARG 207 CO -0.06 0.80 -0.15 0.00 2.80 0.00 0.00 179.97 183.36 3ivc h ALA 208 N 1.34 -0.42 -0.12 2.80 0.00 -1.08 -3.01 119.26 118.77 3ivc h ALA 208 Ca 0.24 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ivc h ALA 208 Cb 0.15 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ivc h ALA 208 CO -0.03 -0.61 0.08 0.00 0.00 0.00 0.00 179.25 178.70 3ivc h ALA 209 N -0.07 1.94 0.00 0.00 0.00 -1.29 -3.15 119.26 116.69 3ivc h ALA 209 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ivc h ALA 209 Cb 0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ivc h ALA 209 CO 0.07 0.05 -0.03 0.00 0.00 0.00 0.00 179.25 179.33 3ivc h ALA 210 N 1.93 1.21 -0.26 0.00 0.00 -0.74 -0.87 119.26 120.54 3ivc h ALA 210 Ca 0.05 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3ivc h ALA 210 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ivc h ALA 210 CO -0.01 0.04 0.34 -0.24 0.00 0.00 0.00 179.25 179.38 3ivc h VAL 211 N 0.00 0.33 0.00 0.00 3.04 -1.63 -2.81 116.25 115.18 3ivc h VAL 211 Ca -0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 3ivc h VAL 211 Cb 0.16 0.72 -0.00 0.00 -2.01 0.00 0.00 31.29 30.16 3ivc h VAL 211 CO 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 177.57 176.52 3ivc h ALA 212 N 1.57 1.39 0.18 3.17 0.00 -1.40 -1.48 119.26 122.69 3ivc h ALA 212 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ivc h ALA 212 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3ivc h ALA 212 CO -0.00 0.06 -0.09 -0.07 0.00 0.00 0.00 179.25 179.15 3ivc h LEU 213 N 0.00 -0.21 -0.78 0.00 4.07 -1.72 -0.66 115.31 116.01 3ivc h LEU 213 Ca -0.00 -0.29 -0.13 0.00 0.08 0.00 0.00 57.88 57.54 3ivc h LEU 213 Cb 0.14 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3ivc h LEU 213 CO 0.01 0.22 -0.52 0.77 -1.08 0.00 0.00 178.44 177.84 3ivc h SER 214 N -0.69 0.25 -0.26 -0.43 4.64 -1.74 -2.38 113.55 112.95 3ivc h SER 214 Ca -0.02 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 3ivc h SER 214 Cb 0.49 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3ivc h SER 214 CO 0.04 0.73 0.03 0.00 -0.87 0.00 0.00 176.83 176.76 3ivc h ALA 215 N 1.28 0.34 -0.30 5.18 0.00 -1.30 -1.10 119.26 123.37 3ivc h ALA 215 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.79 3ivc h ALA 215 Cb 0.98 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 3ivc h ALA 215 CO 0.08 0.04 -0.19 0.00 0.00 0.00 0.00 179.25 179.18 3ivc h ALA 216 N 0.84 0.01 -0.33 0.00 0.00 -1.10 0.16 119.26 118.84 3ivc h ALA 216 Ca 0.08 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ivc h ALA 216 Cb 0.36 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3ivc h ALA 216 CO 0.01 -0.59 0.07 -0.07 0.00 0.00 0.00 179.25 178.67 3ivc h LEU 217 N -0.16 0.52 -0.75 0.00 3.38 -1.36 0.02 115.31 116.97 3ivc h LEU 217 Ca 0.16 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3ivc h LEU 217 Cb 0.40 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ivc h LEU 217 CO -0.39 0.63 -0.52 0.71 0.09 0.00 0.00 178.44 178.95 3ivc h THR 218 N 0.38 1.35 -0.29 0.22 1.35 -1.10 -0.76 112.91 114.06 3ivc h THR 218 Ca 0.10 -1.77 -0.00 0.00 -0.55 0.00 0.00 66.41 64.19 3ivc h THR 218 Cb 0.32 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 3ivc h THR 218 CO 0.00 0.53 0.17 0.00 -0.25 0.00 0.00 175.52 175.97 3ivc h ALA 219 N 1.23 0.37 -0.58 6.62 0.00 -0.55 -2.66 119.26 123.68 3ivc h ALA 219 Ca 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3ivc h ALA 219 Cb 0.99 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3ivc h ALA 219 CO 0.08 -0.12 0.32 0.00 0.00 0.00 0.00 179.25 179.53 3ivc h ALA 220 N 1.06 0.76 -0.05 0.00 0.00 -0.75 0.89 119.26 121.18 3ivc h ALA 220 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ivc h ALA 220 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ivc h ALA 220 CO -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.20 3ivc h ALA 221 N 1.29 1.85 0.07 0.00 0.00 -0.90 -1.54 119.26 120.04 3ivc h ALA 221 Ca 0.25 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.78 3ivc h ALA 221 Cb 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ivc h ALA 221 CO -0.15 0.11 -1.74 0.45 0.00 0.00 0.00 179.25 177.92 3ivc h HIS 222 N 0.07 0.28 0.00 0.00 3.86 -1.13 -3.31 115.15 114.93 3ivc h HIS 222 Ca 0.02 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 59.02 3ivc h HIS 222 Cb 0.11 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 3ivc h HIS 222 CO 0.00 1.37 -0.02 0.00 0.86 0.00 0.00 177.93 180.14 3ivc h ALA 223 N 0.55 1.37 0.00 2.45 0.00 -0.52 -3.32 119.26 119.79 3ivc h ALA 223 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ivc h ALA 223 Cb 2.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3ivc h ALA 223 CO 0.11 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3ivc h ALA 224 N 1.98 1.00 -0.08 0.00 0.00 -1.37 0.26 119.26 121.06 3ivc h ALA 224 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ivc h ALA 224 Cb 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ivc h ALA 224 CO 0.00 0.00 0.19 1.15 0.00 0.00 0.00 179.25 180.59 3ivc h THR 225 N 0.00 0.19 -0.17 0.00 2.02 -1.80 0.24 112.91 113.39 3ivc h THR 225 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ivc h THR 225 Cb 0.26 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3ivc h THR 225 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 3ivc n ALA 226 N -2.13 2.46 0.00 6.16 0.00 0.08 -4.41 120.51 122.68 3ivc n ALA 226 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3ivc n ALA 226 Cb 0.27 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3ivc n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ivc n GLY 227 N 1.39 1.48 0.17 0.00 0.00 0.12 -4.63 105.19 103.72 3ivc n GLY 227 Ca 0.16 -2.20 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 3ivc n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ivc h ALA 228 N 0.00 0.69 -0.24 4.61 0.00 -1.93 -1.69 119.26 120.70 3ivc h ALA 228 Ca 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 3ivc h ALA 228 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ivc h ALA 228 CO 0.00 0.77 -0.19 0.37 0.00 0.00 0.00 179.25 180.20 3ivc h GLN 229 N 0.21 0.56 -0.39 0.00 5.75 -1.97 -0.94 115.11 118.34 3ivc h GLN 229 Ca -0.02 -0.27 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 3ivc h GLN 229 Cb 1.24 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.77 3ivc h GLN 229 CO 0.11 0.85 0.26 0.00 -2.65 0.00 0.00 178.83 177.40 3ivc h ALA 230 N 0.69 0.49 0.08 3.38 0.00 -1.80 -1.17 119.26 120.93 3ivc h ALA 230 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ivc h ALA 230 Cb 0.72 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ivc h ALA 230 CO 0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 179.25 179.08 3ivc h ALA 231 N 1.14 -0.26 -0.49 0.00 0.00 -1.19 0.10 119.26 118.57 3ivc h ALA 231 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ivc h ALA 231 Cb -0.06 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3ivc h ALA 231 CO -0.03 -0.68 0.30 -0.07 0.00 0.00 0.00 179.25 178.77 3ivc h LEU 232 N -0.31 0.58 -0.69 0.00 3.38 -1.07 -1.29 115.31 115.91 3ivc h LEU 232 Ca 0.03 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3ivc h LEU 232 Cb 0.34 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3ivc h LEU 232 CO -0.10 0.45 -0.38 0.44 0.09 0.00 0.00 178.44 178.94 3ivc h ASP 233 N 0.66 0.61 -0.30 -0.43 3.32 -1.17 0.65 116.42 119.75 3ivc h ASP 233 Ca 0.18 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3ivc h ASP 233 Cb -0.03 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3ivc h ASP 233 CO -0.03 0.93 0.13 0.00 -1.72 0.00 0.00 179.24 178.55 3ivc h ALA 234 N 1.10 0.39 -0.05 3.45 0.00 -0.58 -1.48 119.26 122.10 3ivc h ALA 234 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ivc h ALA 234 Cb 0.88 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3ivc h ALA 234 CO 0.08 -0.02 0.02 0.00 0.00 0.00 0.00 179.25 179.32 3ivc h ALA 235 N 0.98 0.05 -0.79 0.00 0.00 -0.93 -2.51 119.26 116.07 3ivc h ALA 235 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ivc h ALA 235 Cb 0.15 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3ivc h ALA 235 CO -0.01 -0.46 0.50 0.00 0.00 0.00 0.00 179.25 179.28 3ivc h ARG 236 N 0.04 1.05 -0.68 0.00 3.08 -0.84 -2.02 114.38 115.01 3ivc h ARG 236 Ca 0.02 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3ivc h ARG 236 Cb 0.01 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 3ivc h ARG 236 CO -0.02 0.71 0.26 0.00 -1.07 0.00 0.00 179.97 179.85 3ivc h ALA 237 N 1.48 0.88 -0.12 0.04 0.00 -1.07 0.21 119.26 120.68 3ivc h ALA 237 Ca 0.29 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ivc h ALA 237 Cb -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3ivc h ALA 237 CO -0.06 0.52 0.06 0.28 0.00 0.00 0.00 179.25 180.05 3ivc h VAL 238 N 0.97 1.12 -0.31 0.00 2.07 -1.01 -1.66 116.25 117.43 3ivc h VAL 238 Ca 0.23 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.41 3ivc h VAL 238 Cb 0.23 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3ivc h VAL 238 CO -0.02 0.11 0.16 -0.07 0.02 0.00 0.00 177.57 177.77 3ivc h LEU 239 N 0.07 0.23 -2.05 2.57 3.38 -1.16 -2.17 115.31 116.18 3ivc h LEU 239 Ca 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3ivc h LEU 239 Cb 0.13 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ivc h LEU 239 CO -0.01 0.18 -0.09 0.44 0.09 0.00 0.00 178.44 179.05 3ivc h ASP 240 N 0.32 0.00 1.10 -0.43 3.32 -0.51 -2.68 116.42 117.54 3ivc h ASP 240 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3ivc h ASP 240 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3ivc h ASP 240 CO -0.08 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3ivc n ALA 241 N -2.29 2.28 -2.62 3.45 0.00 -0.63 -4.82 120.51 115.88 3ivc n ALA 241 Ca -0.02 -0.08 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 3ivc n ALA 241 Cb 0.20 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.10 3ivc n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ivc s ALA 242 N -3.03 3.56 0.15 0.00 0.00 -1.01 -5.04 121.76 116.39 3ivc s ALA 242 Ca 0.13 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 3ivc s ALA 242 Cb 0.17 -2.59 -0.07 0.00 0.00 0.00 0.00 23.12 20.63 3ivc s ALA 242 CO 0.53 -0.51 1.11 -1.25 0.00 0.00 0.00 175.76 175.64 3ivc s PRO 243 N 1.73 4.57 0.00 0.00 0.04 -1.26 -3.14 135.00 136.94 3ivc s PRO 243 Ca 0.13 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3ivc s PRO 243 Cb -0.15 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.09 3ivc s PRO 243 CO 0.09 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.56 3ivc n GLY 244 N 2.26 0.98 3.66 0.56 0.00 -1.26 -4.85 105.19 106.54 3ivc n GLY 244 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3ivc n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ivc s VAL 245 N -3.06 4.97 -0.27 1.61 1.01 -1.19 -4.00 120.40 119.48 3ivc s VAL 245 Ca 0.00 1.32 0.01 0.00 0.00 0.00 0.00 61.98 63.31 3ivc s VAL 245 Cb 0.00 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.43 3ivc s VAL 245 CO 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 175.10 175.10 3ivc s ALA 246 N 2.04 2.64 -0.04 5.51 0.00 0.04 -4.93 121.76 127.02 3ivc s ALA 246 Ca 0.31 -1.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 3ivc s ALA 246 Cb -0.16 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.22 3ivc s ALA 246 CO 0.11 -1.16 1.63 0.08 0.00 0.00 0.00 175.76 176.42 3ivc s VAL 247 N 1.17 3.56 -0.15 0.00 1.01 -1.26 0.02 120.40 124.74 3ivc s VAL 247 Ca -0.07 0.73 -0.18 0.00 0.00 0.00 0.00 61.98 62.46 3ivc s VAL 247 Cb -0.19 -3.47 -0.24 0.00 0.00 0.00 0.00 36.38 32.47 3ivc s VAL 247 CO -0.04 -0.05 0.43 0.44 0.00 0.00 0.00 175.10 175.88 3ivc h ASP 248 N 9.27 0.21 -5.04 3.32 3.32 -1.25 -3.48 116.42 122.77 3ivc h ASP 248 Ca -0.39 -0.76 -0.04 0.00 0.02 0.00 0.00 57.03 55.87 3ivc h ASP 248 Cb 1.18 -0.07 -0.12 0.00 0.22 0.00 0.00 39.33 40.54 3ivc h ASP 248 CO 0.95 1.54 0.05 -0.72 -1.72 0.00 0.00 179.24 179.34 3ivc s TYR 249 N -2.42 -0.35 -0.16 4.55 -0.85 -0.97 -4.98 117.35 112.16 3ivc s TYR 249 Ca -0.23 0.08 -0.04 0.00 -0.52 0.00 0.00 57.07 56.35 3ivc s TYR 249 Cb 0.04 0.39 0.07 0.00 0.38 0.00 0.00 41.96 42.85 3ivc s TYR 249 CO 0.70 -0.77 0.14 -1.17 -1.52 0.00 0.00 175.55 172.92 3ivc s LEU 250 N -2.78 0.14 -0.05 -3.49 2.96 -1.26 -1.83 118.68 112.37 3ivc s LEU 250 Ca 0.02 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 3ivc s LEU 250 Cb 0.01 0.02 0.02 0.00 0.50 0.00 0.00 46.19 46.74 3ivc s LEU 250 CO -0.12 -0.33 0.11 -1.61 -1.32 0.00 0.00 176.35 173.09 3ivc s GLU 251 N 2.22 0.11 0.02 1.98 2.02 0.23 -4.98 118.70 120.29 3ivc s GLU 251 Ca 0.04 0.21 -0.20 0.00 0.02 0.00 0.00 54.97 55.04 3ivc s GLU 251 Cb -0.15 -0.02 -0.06 0.00 0.10 0.00 0.00 34.13 34.00 3ivc s GLU 251 CO -0.09 -0.06 0.58 -0.51 0.02 0.00 0.00 175.26 175.20 3ivc s LEU 252 N 0.41 4.45 0.12 1.80 1.02 -1.26 -1.09 118.68 124.14 3ivc s LEU 252 Ca -0.03 1.19 -0.08 0.00 0.02 0.00 0.00 54.13 55.23 3ivc s LEU 252 Cb -0.04 -2.91 -0.01 0.00 0.02 0.00 0.00 46.19 43.25 3ivc s LEU 252 CO -0.02 0.16 0.21 -0.13 0.02 0.00 0.00 176.35 176.59 3ivc s ARG 253 N -0.49 0.98 1.04 1.70 1.81 -0.48 -4.43 118.95 119.08 3ivc s ARG 253 Ca 0.30 -1.11 -0.14 0.00 -1.72 0.00 0.00 55.73 53.06 3ivc s ARG 253 Cb -0.19 0.34 0.21 0.00 -0.45 0.00 0.00 34.95 34.86 3ivc s ARG 253 CO 0.18 -0.33 1.12 0.16 -0.68 0.00 0.00 175.30 175.75 3ivc s ASP 254 N -2.93 2.34 0.56 0.23 1.47 0.21 -1.01 116.67 117.54 3ivc s ASP 254 Ca 0.12 0.93 0.26 0.00 1.18 0.00 0.00 52.55 55.04 3ivc s ASP 254 Cb 0.05 -1.43 1.49 0.00 -0.34 0.00 0.00 42.92 42.69 3ivc s ASP 254 CO -0.05 -3.28 2.05 0.16 0.68 0.00 0.00 175.17 174.74 3ivc h ILE 255 N -2.00 0.63 -0.38 2.11 -0.00 -1.88 -0.00 117.51 116.00 3ivc h ILE 255 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.35 3ivc h ILE 255 Cb 1.32 0.80 0.00 0.00 -0.00 0.00 0.00 36.82 38.94 3ivc h ILE 255 CO 0.52 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 179.28 3ivc n GLY 256 N -1.52 1.03 2.24 0.16 0.00 -1.26 -4.95 105.19 100.89 3ivc n GLY 256 Ca 0.05 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 3ivc n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ivc n LEU 257 N 0.82 -0.81 0.00 0.99 4.77 -0.01 -5.05 117.00 117.69 3ivc n LEU 257 Ca 0.16 0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 56.25 3ivc n LEU 257 Cb 0.41 -1.52 0.04 0.00 -2.33 0.00 0.00 43.42 40.02 3ivc n LEU 257 CO 0.12 -0.39 0.18 0.61 -1.33 0.00 0.00 177.39 176.59 3ivc n GLY 258 N -1.70 -1.21 3.75 -0.72 0.00 -1.26 -4.76 105.19 99.29 3ivc n GLY 258 Ca -0.09 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 3ivc n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ivc n PRO 259 N -1.59 1.94 -3.11 1.61 -0.02 -1.26 -0.61 135.00 131.96 3ivc n PRO 259 Ca 0.03 0.70 -0.40 0.00 -2.02 0.00 0.00 63.50 61.82 3ivc n PRO 259 Cb 0.12 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 30.93 3ivc n PRO 259 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3ivc s MET 260 N -2.72 4.29 0.58 -0.52 1.75 -1.26 -3.51 119.30 117.92 3ivc s MET 260 Ca 0.67 0.69 -0.19 0.00 -1.25 0.00 0.00 55.69 55.61 3ivc s MET 260 Cb -0.43 -3.53 -0.04 0.00 2.84 0.00 0.00 34.83 33.68 3ivc s MET 260 CO 0.53 -0.12 1.18 -2.14 -0.65 0.00 0.00 175.02 173.82 3ivc s PRO 261 N 1.48 3.05 0.02 4.11 0.02 -1.26 -4.95 135.00 137.47 3ivc s PRO 261 Ca 0.31 1.74 -0.30 0.00 0.02 0.00 0.00 61.00 62.77 3ivc s PRO 261 Cb -0.16 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.37 3ivc s PRO 261 CO 0.12 -1.12 1.09 -1.17 -0.33 0.00 0.00 177.00 175.59 3ivc s LEU 262 N -4.05 4.36 0.00 -5.54 2.96 -1.26 -3.48 118.68 111.67 3ivc s LEU 262 Ca 0.76 1.82 0.00 0.00 -0.22 0.00 0.00 54.13 56.48 3ivc s LEU 262 Cb -0.28 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.84 3ivc s LEU 262 CO 0.32 -0.38 0.00 0.59 -1.32 0.00 0.00 176.35 175.56 3ivc n ASN 263 N 4.04 0.00 0.00 3.68 5.03 -1.26 -5.06 115.26 121.70 3ivc n ASN 263 Ca 0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.53 3ivc n ASN 263 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 3ivc n ASN 263 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ivc n GLY 264 N -1.19 4.26 3.04 7.41 0.00 -1.23 -3.54 105.19 113.95 3ivc n GLY 264 Ca 0.00 -1.91 -0.21 0.00 0.00 0.00 0.00 46.02 43.90 3ivc n GLY 264 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ivc s SER 265 N 0.14 1.38 0.00 1.61 0.15 -1.26 -0.54 113.70 115.18 3ivc s SER 265 Ca 0.00 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.44 3ivc s SER 265 Cb 0.00 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 3ivc s SER 265 CO 0.00 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.16 3ivc n GLY 266 N 3.06 2.25 2.97 9.45 0.00 0.31 -4.52 105.19 118.71 3ivc n GLY 266 Ca -0.16 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 3ivc n GLY 266 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ivc s ARG 267 N 1.80 0.62 -0.23 1.61 6.06 -0.18 -0.87 118.95 127.75 3ivc s ARG 267 Ca 0.00 -0.22 -0.09 0.00 -2.50 0.00 0.00 55.73 52.92 3ivc s ARG 267 Cb 0.00 -0.61 -0.04 0.00 0.06 0.00 0.00 34.95 34.36 3ivc s ARG 267 CO 0.00 0.10 0.11 -1.17 -2.50 0.00 0.00 175.30 171.84 3ivc s LEU 268 N 0.08 3.87 0.02 -0.88 2.96 -0.04 -1.38 118.68 123.31 3ivc s LEU 268 Ca -0.01 0.02 0.08 0.00 -0.22 0.00 0.00 54.13 54.00 3ivc s LEU 268 Cb -0.05 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3ivc s LEU 268 CO -0.00 0.06 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.11 3ivc s LEU 269 N 1.05 2.35 0.02 -0.68 1.02 -0.25 -0.71 118.68 121.47 3ivc s LEU 269 Ca 0.06 -0.47 0.02 0.00 0.02 0.00 0.00 54.13 53.75 3ivc s LEU 269 Cb -0.14 -1.40 -0.02 0.00 0.02 0.00 0.00 46.19 44.66 3ivc s LEU 269 CO 0.04 0.28 -0.06 0.54 0.02 0.00 0.00 176.35 177.17 3ivc s VAL 270 N -0.80 0.42 -0.03 -1.59 0.11 -0.29 -0.60 120.40 117.62 3ivc s VAL 270 Ca 0.12 -0.71 -0.02 0.00 -2.93 0.00 0.00 61.98 58.44 3ivc s VAL 270 Cb -0.10 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.31 3ivc s VAL 270 CO 0.02 -0.20 0.06 0.00 -3.33 0.00 0.00 175.10 171.65 3ivc s ALA 271 N -0.88 -0.13 0.11 1.54 0.00 -0.76 -2.26 121.76 119.37 3ivc s ALA 271 Ca -0.06 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 3ivc s ALA 271 Cb -0.07 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.92 3ivc s ALA 271 CO 0.00 -0.05 0.27 0.00 0.00 0.00 0.00 175.76 175.98 3ivc s ALA 272 N 0.24 -0.46 -0.13 0.00 0.00 -0.56 -0.69 121.76 120.17 3ivc s ALA 272 Ca -0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 3ivc s ALA 272 Cb -0.03 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3ivc s ALA 272 CO -0.01 -0.57 -0.01 1.03 0.00 0.00 0.00 175.76 176.20 3ivc s ARG 273 N -3.85 3.38 -0.24 0.00 0.52 0.10 -0.82 118.95 118.04 3ivc s ARG 273 Ca 0.05 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.82 3ivc s ARG 273 Cb 0.04 -2.88 0.06 0.00 0.52 0.00 0.00 34.95 32.69 3ivc s ARG 273 CO -0.11 0.45 -0.10 -0.51 0.02 0.00 0.00 175.30 175.05 3ivc s LEU 274 N -0.20 3.08 0.00 2.53 1.02 0.35 -0.78 118.68 124.68 3ivc s LEU 274 Ca 0.05 -1.26 0.00 0.00 0.02 0.00 0.00 54.13 52.94 3ivc s LEU 274 Cb -0.13 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.64 3ivc s LEU 274 CO 0.02 -0.18 0.00 0.61 0.02 0.00 0.00 176.35 176.82 3ivc n GLY 275 N 4.51 2.20 1.09 -3.19 0.00 -1.26 -1.86 105.19 106.70 3ivc n GLY 275 Ca -0.14 0.42 0.11 0.00 0.00 0.00 0.00 46.02 46.40 3ivc n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ivc n THR 276 N 0.00 0.57 -3.98 2.61 -2.24 -1.26 -4.94 114.28 105.04 3ivc n THR 276 Ca 0.00 -0.79 -0.35 0.00 -2.27 0.00 0.00 64.05 60.64 3ivc n THR 276 Cb 0.00 0.91 -0.12 0.00 -2.10 0.00 0.00 70.33 69.02 3ivc n THR 276 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ivc s THR 277 N -1.35 4.34 -0.13 4.28 2.01 -0.78 -5.08 115.64 118.94 3ivc s THR 277 Ca 0.37 -0.18 -0.17 0.00 0.31 0.00 0.00 61.69 62.03 3ivc s THR 277 Cb 0.21 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 3ivc s THR 277 CO 0.29 0.41 0.41 -0.13 -0.69 0.00 0.00 174.62 174.92 3ivc s ARG 278 N 0.96 4.29 0.02 4.92 0.52 -1.26 -0.49 118.95 127.91 3ivc s ARG 278 Ca 0.03 0.33 0.07 0.00 -0.52 0.00 0.00 55.73 55.64 3ivc s ARG 278 Cb -0.14 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 3ivc s ARG 278 CO 0.02 0.21 -0.20 -0.51 0.02 0.00 0.00 175.30 174.84 3ivc s LEU 279 N 0.49 2.46 0.20 2.53 1.43 0.00 -4.99 118.68 120.79 3ivc s LEU 279 Ca 0.23 -0.43 0.11 0.00 -1.03 0.00 0.00 54.13 53.01 3ivc s LEU 279 Cb -0.14 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3ivc s LEU 279 CO 0.08 0.28 -0.23 -0.76 0.23 0.00 0.00 176.35 175.95 3ivc s LEU 280 N -1.18 2.45 0.12 1.79 1.43 -1.26 -1.49 118.68 120.54 3ivc s LEU 280 Ca 0.13 -0.88 -0.24 0.00 -1.03 0.00 0.00 54.13 52.10 3ivc s LEU 280 Cb -0.10 -1.13 0.08 0.00 0.03 0.00 0.00 46.19 45.06 3ivc s LEU 280 CO 0.03 0.10 0.69 -0.62 0.23 0.00 0.00 176.35 176.78 3ivc s ASP 281 N -2.73 -0.49 0.15 2.29 -1.08 -0.96 -4.89 116.67 108.96 3ivc s ASP 281 Ca 0.21 -0.04 -0.15 0.00 -0.52 0.00 0.00 52.55 52.06 3ivc s ASP 281 Cb -0.07 0.55 0.02 0.00 -1.46 0.00 0.00 42.92 41.95 3ivc s ASP 281 CO 0.10 -0.89 0.41 0.54 0.52 0.00 0.00 175.17 175.84 3ivc s ASN 282 N -2.69 -0.17 0.02 -0.34 2.20 -1.26 -1.14 114.94 111.55 3ivc s ASN 282 Ca 0.03 -0.49 -0.00 0.00 -0.94 0.00 0.00 52.86 51.45 3ivc s ASN 282 Cb -0.01 0.49 -0.02 0.00 -2.00 0.00 0.00 41.25 39.71 3ivc s ASN 282 CO -0.11 -0.92 -0.03 -0.51 -2.94 0.00 0.00 177.10 172.59 3ivc s ILE 283 N -3.86 0.11 0.28 0.54 2.07 0.11 -4.97 121.20 115.47 3ivc s ILE 283 Ca 0.08 -0.87 -0.30 0.00 -1.41 0.00 0.00 60.65 58.15 3ivc s ILE 283 Cb 0.01 -0.25 -0.13 0.00 0.13 0.00 0.00 42.46 42.23 3ivc s ILE 283 CO -0.07 -0.48 1.43 0.00 -1.91 0.00 0.00 174.94 173.91 3ivc n ALA 284 N 1.66 1.53 -3.13 1.50 0.00 -1.26 -0.86 120.51 119.95 3ivc n ALA 284 Ca -0.23 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 3ivc n ALA 284 Cb 0.55 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.59 3ivc n ALA 284 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3ivc s ILE 285 N -0.31 0.07 -0.05 0.00 2.07 -0.05 -4.84 121.20 118.09 3ivc s ILE 285 Ca 0.64 -0.60 0.04 0.00 -1.41 0.00 0.00 60.65 59.32 3ivc s ILE 285 Cb -0.59 -0.45 -0.00 0.00 0.13 0.00 0.00 42.46 41.54 3ivc s ILE 285 CO 0.53 -0.33 -0.18 -1.61 -1.91 0.00 0.00 174.94 171.43 3ivc s GLU 286 N -1.27 1.88 -0.05 3.50 2.02 -1.26 -0.53 118.70 122.99 3ivc s GLU 286 Ca -0.13 -0.64 0.04 0.00 0.02 0.00 0.00 54.97 54.25 3ivc s GLU 286 Cb -0.07 -1.62 -0.02 0.00 0.10 0.00 0.00 34.13 32.51 3ivc s GLU 286 CO 0.02 0.26 -0.16 0.42 0.02 0.00 0.00 175.26 175.82 3ivc s ILE 287 N 0.02 2.95 0.00 -1.63 -1.09 0.30 -4.44 121.20 117.31 3ivc s ILE 287 Ca -0.04 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.62 3ivc s ILE 287 Cb -0.12 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.61 3ivc s ILE 287 CO 0.02 0.59 0.00 0.61 -1.23 0.00 0.00 174.94 174.93 3ivc n GLY 288 N 2.38 3.37 0.00 6.18 0.00 0.60 -2.37 105.19 115.35 3ivc n GLY 288 Ca -0.17 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.78 3ivc n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ivc n THR 289 N 0.00 0.99 0.85 2.61 -2.24 -1.26 -1.26 114.28 113.97 3ivc n THR 289 Ca 0.00 0.25 0.11 0.00 -2.27 0.00 0.00 64.05 62.14 3ivc n THR 289 Cb 0.00 -1.09 0.06 0.00 -2.10 0.00 0.00 70.33 67.19 3ivc n THR 289 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3ivc n PHE 290 N -1.36 0.08 1.08 4.78 7.35 -1.00 -4.42 117.46 123.97 3ivc n PHE 290 Ca 0.04 0.02 0.12 0.00 -0.76 0.00 0.00 57.45 56.87 3ivc n PHE 290 Cb 0.09 -0.23 0.14 0.00 0.35 0.00 0.00 39.48 39.82 3ivc n PHE 290 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ivc n ALA 291 N -1.61 2.94 -1.80 3.13 0.00 -0.39 -4.69 120.51 118.09 3ivc n ALA 291 Ca 0.04 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.44 3ivc n ALA 291 Cb 0.37 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 3ivc n ALA 291 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ivc s GLY 292 N -2.23 1.77 0.13 0.00 0.00 -1.25 -4.50 107.32 101.24 3ivc s GLY 292 Ca 0.25 1.50 0.02 0.00 0.00 0.00 0.00 44.72 46.49 3ivc s GLY 292 CO 0.43 2.62 -0.04 -0.51 0.00 0.00 0.00 173.10 175.60 3ivc s THR 293 N 0.58 0.70 -0.27 0.90 -4.23 -1.26 -5.05 115.64 107.01 3ivc s THR 293 Ca 0.67 -1.96 -0.29 0.00 -1.18 0.00 0.00 61.69 58.93 3ivc s THR 293 Cb -0.47 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.48 3ivc s THR 293 CO 0.39 -0.69 1.53 -0.62 -0.54 0.00 0.00 174.62 174.69 3ivc s ASP 294 N -3.10 6.40 0.00 3.99 3.68 -1.26 -4.53 116.67 121.85 3ivc s ASP 294 Ca 0.17 1.41 0.00 0.00 2.13 0.00 0.00 52.55 56.26 3ivc s ASP 294 Cb 0.05 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.99 3ivc s ASP 294 CO -0.01 -1.27 0.00 -1.14 0.13 0.00 0.00 175.17 172.88 3ivc n ARG 295 N 7.69 0.00 -3.99 4.34 0.63 -1.26 -5.01 116.66 119.05 3ivc n ARG 295 Ca 0.18 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.75 3ivc n ARG 295 Cb 0.46 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.30 3ivc n ARG 295 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3ivc s PRO 296 N 0.00 3.33 0.30 -0.14 0.04 -1.26 -5.12 135.00 132.14 3ivc s PRO 296 Ca 0.00 -0.23 -0.29 0.00 0.04 0.00 0.00 61.00 60.52 3ivc s PRO 296 Cb 0.00 -3.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.36 3ivc s PRO 296 CO 0.00 0.74 1.14 0.16 0.04 0.00 0.00 177.00 179.09 3ivc s ASP 297 N -1.17 7.14 0.00 6.66 1.47 -1.26 -4.81 116.67 124.70 3ivc s ASP 297 Ca 0.17 2.36 0.00 0.00 1.18 0.00 0.00 52.55 56.25 3ivc s ASP 297 Cb -0.12 -2.63 0.00 0.00 -0.34 0.00 0.00 42.92 39.83 3ivc s ASP 297 CO 0.06 -0.24 0.00 0.61 0.68 0.00 0.00 175.17 176.28