#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3b n GLY 15 N 0.00 -0.73 3.24 3.17 0.00 -1.26 -5.14 105.19 104.47 1r3b n GLY 15 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 1r3b n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 16 N -0.25 1.18 -0.05 1.61 0.01 -1.26 -5.17 113.70 109.77 1r3b s SER 16 Ca 0.00 -1.17 -0.27 0.00 1.31 0.00 0.00 55.95 55.81 1r3b s SER 16 Cb 0.00 0.12 0.06 0.00 0.21 0.00 0.00 66.02 66.41 1r3b s SER 16 CO 0.00 -0.57 0.60 -0.94 0.41 0.00 0.00 173.24 172.74 1r3b s SER 17 N -3.17 -0.57 -0.18 2.44 1.04 -1.26 -5.15 113.70 106.85 1r3b s SER 17 Ca 0.24 0.62 -0.00 0.00 0.48 0.00 0.00 55.95 57.29 1r3b s SER 17 Cb 0.06 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.76 1r3b s SER 17 CO 0.04 -0.56 -0.06 -1.00 0.98 0.00 0.00 173.24 172.65 1r3b s HIS 18 N -1.14 1.87 0.03 5.02 0.09 -1.26 -5.12 115.29 114.78 1r3b s HIS 18 Ca -0.11 -1.24 -0.03 0.00 -0.00 0.00 0.00 55.06 53.69 1r3b s HIS 18 Cb -0.01 -1.39 -0.02 0.00 -0.00 0.00 0.00 32.58 31.16 1r3b s HIS 18 CO 0.08 -0.66 0.03 -3.38 -0.00 0.00 0.00 174.74 170.81 1r3b s HIS 19 N 1.58 0.26 0.35 1.40 0.00 -1.26 -5.17 115.29 112.45 1r3b s HIS 19 Ca -0.00 -0.56 -0.13 0.00 -3.00 0.00 0.00 55.06 51.36 1r3b s HIS 19 Cb -0.16 -0.19 0.05 0.00 -4.00 0.00 0.00 32.58 28.28 1r3b s HIS 19 CO -0.08 -0.28 0.70 -2.39 -1.00 0.00 0.00 174.74 171.69 1r3b n HIS 20 N 1.10 -2.20 -3.57 0.38 -0.00 -1.26 -5.19 115.22 104.48 1r3b n HIS 20 Ca -0.21 -1.66 -0.11 0.00 -0.00 0.00 0.00 57.72 55.74 1r3b n HIS 20 Cb 0.57 0.82 -0.05 0.00 -0.00 0.00 0.00 29.99 31.33 1r3b n HIS 20 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1r3b s HIS 21 N -2.94 -0.38 -0.19 -1.40 5.65 -1.26 -5.15 115.29 109.62 1r3b s HIS 21 Ca 0.14 0.65 -0.02 0.00 0.25 0.00 0.00 55.06 56.08 1r3b s HIS 21 Cb -0.04 0.45 0.05 0.00 -1.18 0.00 0.00 32.58 31.86 1r3b s HIS 21 CO 0.11 -0.36 0.00 -1.01 -0.65 0.00 0.00 174.74 172.83 1r3b s HIS 22 N -1.16 1.38 -0.06 3.88 0.09 -1.26 -5.12 115.29 113.05 1r3b s HIS 22 Ca -0.02 -1.02 0.02 0.00 -0.00 0.00 0.00 55.06 54.04 1r3b s HIS 22 Cb -0.00 -1.17 0.02 0.00 -0.00 0.00 0.00 32.58 31.43 1r3b s HIS 22 CO 0.02 -0.62 -0.10 -3.38 -0.00 0.00 0.00 174.74 170.66 1r3b s HIS 23 N 1.74 1.27 0.08 1.40 0.00 -1.26 -5.14 115.29 113.39 1r3b s HIS 23 Ca -0.01 -0.46 -0.09 0.00 -3.00 0.00 0.00 55.06 51.50 1r3b s HIS 23 Cb -0.17 -0.97 -0.00 0.00 -4.00 0.00 0.00 32.58 27.44 1r3b s HIS 23 CO -0.07 -0.26 0.19 -1.54 -1.00 0.00 0.00 174.74 172.06 1r3b s SER 24 N 0.75 0.10 -0.00 7.38 1.04 -1.26 -5.17 113.70 116.54 1r3b s SER 24 Ca -0.13 -0.60 -0.00 0.00 0.48 0.00 0.00 55.95 55.69 1r3b s SER 24 Cb -0.15 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1r3b s SER 24 CO 0.02 -0.71 0.01 -0.94 0.98 0.00 0.00 173.24 172.60 1r3b s SER 25 N -2.74 0.01 -0.49 7.02 1.04 -1.26 -5.10 113.70 112.18 1r3b s SER 25 Ca 0.03 0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.54 1r3b s SER 25 Cb 0.04 -0.01 0.19 0.00 0.10 0.00 0.00 66.02 66.33 1r3b s SER 25 CO -0.10 -0.02 0.66 -0.83 0.98 0.00 0.00 173.24 173.93 1r3b s GLY 26 N 0.19 -0.93 -0.77 7.32 0.00 -1.26 -5.07 107.32 106.80 1r3b s GLY 26 Ca -0.02 -0.60 -0.00 0.00 0.00 0.00 0.00 44.72 44.10 1r3b s GLY 26 CO -0.01 3.45 0.62 0.48 0.00 0.00 0.00 173.10 177.64 1r3b s LEU 27 N 0.91 5.25 -0.05 0.66 2.34 -1.26 -5.07 118.68 121.47 1r3b s LEU 27 Ca 0.28 -3.54 -0.30 0.00 0.06 0.00 0.00 54.13 50.64 1r3b s LEU 27 Cb -0.01 -1.82 -0.05 0.00 -0.56 0.00 0.00 46.19 43.75 1r3b s LEU 27 CO -0.07 -0.20 1.52 0.54 -1.06 0.00 0.00 176.35 177.08 1r3b s VAL 28 N -1.06 3.71 0.06 1.48 0.11 -1.26 -4.97 120.40 118.48 1r3b s VAL 28 Ca 0.24 0.95 -0.31 0.00 -2.93 0.00 0.00 61.98 59.93 1r3b s VAL 28 Cb -0.10 -3.61 -0.07 0.00 -1.53 0.00 0.00 36.38 31.07 1r3b s VAL 28 CO -0.11 -0.06 1.39 -2.16 -3.33 0.00 0.00 175.10 170.83 1r3b s PRO 29 N 3.43 4.31 0.04 1.54 0.04 -1.26 -5.03 135.00 138.08 1r3b s PRO 29 Ca 0.67 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.77 1r3b s PRO 29 Cb -0.31 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.79 1r3b s PRO 29 CO 0.26 -0.50 -0.12 1.03 0.04 0.00 0.00 177.00 177.71 1r3b s ARG 30 N 1.76 0.80 0.00 4.56 0.52 -1.26 -4.99 118.95 120.34 1r3b s ARG 30 Ca 0.64 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 1r3b s ARG 30 Cb -0.34 -0.76 0.00 0.00 0.52 0.00 0.00 34.95 34.37 1r3b s ARG 30 CO 0.29 0.18 0.00 0.41 0.02 0.00 0.00 175.30 176.20 1r3b n GLY 31 N 1.80 0.00 3.71 -3.53 0.00 -1.26 -5.14 105.19 100.77 1r3b n GLY 31 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1r3b n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 32 N 0.00 6.87 0.16 1.61 0.01 -1.26 -5.06 113.70 116.03 1r3b s SER 32 Ca 0.00 1.05 0.02 0.00 1.31 0.00 0.00 55.95 58.32 1r3b s SER 32 Cb 0.00 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 1r3b s SER 32 CO 0.00 -0.10 -0.00 0.00 0.41 0.00 0.00 173.24 173.54 1r3b s ALA 33 N 0.88 1.27 -0.13 1.44 0.00 -1.26 -5.13 121.76 118.84 1r3b s ALA 33 Ca 0.33 -1.55 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 1r3b s ALA 33 Cb -0.17 0.51 0.05 0.00 0.00 0.00 0.00 23.12 23.52 1r3b s ALA 33 CO 0.15 -0.32 0.29 -0.08 0.00 0.00 0.00 175.76 175.80 1r3b s THR 34 N -3.68 -0.11 0.08 0.00 -1.32 -1.26 -5.05 115.64 104.30 1r3b s THR 34 Ca 0.22 0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 1r3b s THR 34 Cb 0.06 -0.45 -0.04 0.00 -1.51 0.00 0.00 72.50 70.56 1r3b s THR 34 CO 0.03 0.06 -0.04 -0.22 -2.21 0.00 0.00 174.62 172.24 1r3b s LEU 35 N 1.50 2.46 0.00 9.08 2.96 -1.26 -5.16 118.68 128.26 1r3b s LEU 35 Ca -0.08 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.82 1r3b s LEU 35 Cb -0.10 0.07 0.00 0.00 0.50 0.00 0.00 46.19 46.66 1r3b s LEU 35 CO -0.10 -0.54 0.00 0.61 -1.32 0.00 0.00 176.35 175.00 1r3b n GLY 36 N 0.02 3.45 3.73 7.98 0.00 -1.26 -5.14 105.19 113.98 1r3b n GLY 36 Ca -0.13 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.21 1r3b n GLY 36 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r3b s SER 37 N 0.00 -0.08 0.00 1.61 0.15 -1.26 -5.14 113.70 108.97 1r3b s SER 37 Ca 0.00 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1r3b s SER 37 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1r3b s SER 37 CO 0.00 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.45 1r3b n GLY 38 N -0.55 2.80 3.49 9.45 0.00 -1.26 -5.07 105.19 114.05 1r3b n GLY 38 Ca -0.06 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 1r3b n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r3b s ASN 39 N 0.00 0.81 0.07 1.61 3.84 -1.26 -4.80 114.94 115.22 1r3b s ASN 39 Ca 0.00 1.24 -0.14 0.00 0.21 0.00 0.00 52.86 54.17 1r3b s ASN 39 Cb 0.00 -1.90 -0.24 0.00 -0.55 0.00 0.00 41.25 38.56 1r3b s ASN 39 CO 0.00 -4.26 1.18 0.25 -2.79 0.00 0.00 177.10 171.47 1r3b h LEU 40 N -2.67 0.91 -0.09 3.21 7.12 -2.01 -1.53 115.31 120.26 1r3b h LEU 40 Ca -0.57 -0.75 -0.05 0.00 0.13 0.00 0.00 57.88 56.64 1r3b h LEU 40 Cb 1.34 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 41.18 1r3b h LEU 40 CO 0.47 1.55 -0.15 0.08 -0.13 0.00 0.00 178.44 180.26 1r3b h ARG 41 N 0.38 0.26 0.00 1.25 0.11 -2.00 -3.20 114.38 111.18 1r3b h ARG 41 Ca -0.14 -0.16 -0.09 0.00 0.10 0.00 0.00 59.98 59.69 1r3b h ARG 41 Cb 1.73 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.81 1r3b h ARG 41 CO 0.21 0.74 -0.43 -0.56 0.10 0.00 0.00 179.97 180.04 1r3b h GLN 42 N -0.19 0.00 0.00 0.08 3.07 -1.86 -2.88 115.11 113.33 1r3b h GLN 42 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1r3b h GLN 42 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.28 1r3b h GLN 42 CO 0.03 0.43 0.00 0.00 0.09 0.00 0.00 178.83 179.38 1r3b h ALA 43 N 1.57 1.00 0.01 0.06 0.00 -1.26 -1.17 119.26 119.47 1r3b h ALA 43 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1r3b h ALA 43 Cb 0.92 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1r3b h ALA 43 CO 0.06 0.00 -1.57 0.28 0.00 0.00 0.00 179.25 178.01 1r3b h VAL 44 N 0.00 1.02 -3.23 0.00 2.07 -1.58 -3.46 116.25 111.08 1r3b h VAL 44 Ca 0.00 -2.84 -0.66 0.00 0.82 0.00 0.00 66.70 64.02 1r3b h VAL 44 Cb 0.00 2.52 -0.34 0.00 -1.52 0.00 0.00 31.29 31.96 1r3b h VAL 44 CO 0.00 0.62 -0.87 -0.04 0.02 0.00 0.00 177.57 177.30 1r3b s MET 45 N -2.62 2.93 -0.78 1.57 -1.94 -0.44 -5.00 119.30 113.02 1r3b s MET 45 Ca -0.04 -0.82 -0.33 0.00 -1.71 0.00 0.00 55.69 52.78 1r3b s MET 45 Cb 0.08 -2.35 -0.19 0.00 2.01 0.00 0.00 34.83 34.39 1r3b s MET 45 CO 0.82 0.01 2.51 -0.11 -0.01 0.00 0.00 175.02 178.24 1r3b n LEU 46 N 4.01 0.79 -4.70 -0.03 7.94 -1.26 -4.76 117.00 119.00 1r3b n LEU 46 Ca -0.20 0.21 -0.42 0.00 -1.11 0.00 0.00 56.01 54.50 1r3b n LEU 46 Cb 0.52 -1.03 -0.03 0.00 0.53 0.00 0.00 43.42 43.41 1r3b n LEU 46 CO 0.27 -0.84 1.45 -2.84 -1.11 0.00 0.00 177.39 174.32 1r3b s PRO 47 N 8.08 4.14 0.36 1.96 0.02 -1.26 -4.73 135.00 143.57 1r3b s PRO 47 Ca 1.26 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.86 1r3b s PRO 47 Cb -1.14 -3.51 0.00 0.00 0.02 0.00 0.00 34.50 29.87 1r3b s PRO 47 CO 0.50 -0.82 0.00 -1.91 -0.33 0.00 0.00 177.00 174.44 1r3b n GLU 48 N 5.40 -2.88 -1.13 5.54 0.00 -1.26 -3.89 120.64 122.43 1r3b n GLU 48 Ca 0.17 1.97 -0.33 0.00 0.00 0.00 0.00 57.16 58.97 1r3b n GLU 48 Cb 0.38 -3.49 -0.02 0.00 0.00 0.00 0.00 31.44 28.31 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1r3b n GLY 49 N -4.17 3.62 3.92 8.31 0.00 -1.26 -4.91 105.19 110.70 1r3b n GLY 49 Ca -0.00 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.52 1r3b n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3b s GLU 50 N 3.15 3.02 0.40 1.61 0.41 -1.25 -5.04 118.70 121.00 1r3b s GLU 50 Ca 0.53 -0.01 -0.26 0.00 -0.41 0.00 0.00 54.97 54.82 1r3b s GLU 50 Cb 0.14 -2.31 -0.09 0.00 -1.78 0.00 0.00 34.13 30.09 1r3b s GLU 50 CO -0.03 -0.60 1.32 0.34 -0.49 0.00 0.00 175.26 175.80 1r3b s ASP 51 N -4.27 6.32 0.01 -0.19 -1.08 -1.26 -4.94 116.67 111.27 1r3b s ASP 51 Ca 0.53 2.69 -0.25 0.00 -0.52 0.00 0.00 52.55 55.00 1r3b s ASP 51 Cb -0.10 -2.64 -0.14 0.00 -1.46 0.00 0.00 42.92 38.58 1r3b s ASP 51 CO 0.45 -0.85 1.09 0.25 0.52 0.00 0.00 175.17 176.63 1r3b h LEU 52 N 2.73 -0.76 -1.96 -1.34 7.12 -1.99 -1.91 115.31 117.19 1r3b h LEU 52 Ca -0.50 0.03 0.38 0.00 0.13 0.00 0.00 57.88 57.92 1r3b h LEU 52 Cb 1.25 0.20 -0.06 0.00 -0.53 0.00 0.00 40.66 41.52 1r3b h LEU 52 CO 0.63 -0.41 0.94 0.78 -0.13 0.00 0.00 178.44 180.25 1r3b h ASN 53 N -1.16 0.02 -0.01 1.25 4.21 -2.00 0.31 115.58 118.20 1r3b h ASN 53 Ca -0.09 0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.38 1r3b h ASN 53 Cb 0.69 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 1r3b h ASN 53 CO 0.15 -0.00 -0.18 -0.08 -1.29 0.00 0.00 177.43 176.03 1r3b h GLU 54 N 0.02 0.14 -0.40 0.81 4.81 -1.92 -2.93 114.58 115.10 1r3b h GLU 54 Ca 0.63 -0.14 0.08 0.00 -0.13 0.00 0.00 59.36 59.81 1r3b h GLU 54 Cb 2.50 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 31.84 1r3b h GLU 54 CO -0.03 0.85 -0.11 2.35 -0.73 0.00 0.00 179.01 181.35 1r3b h TRP 55 N -0.53 -0.25 -0.12 0.92 -0.00 0.41 0.40 115.95 116.79 1r3b h TRP 55 Ca -0.02 0.04 0.03 0.00 -0.00 0.00 0.00 58.89 58.94 1r3b h TRP 55 Cb 0.91 0.17 -0.04 0.00 -0.00 0.00 0.00 29.16 30.20 1r3b h TRP 55 CO 0.17 -0.19 -0.10 0.82 -0.00 0.00 0.00 178.44 179.15 1r3b h ILE 56 N -0.02 0.72 -0.43 2.65 2.04 -1.40 -1.15 117.51 119.92 1r3b h ILE 56 Ca 0.19 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.03 1r3b h ILE 56 Cb 0.31 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1r3b h ILE 56 CO -0.42 0.00 0.17 0.00 0.00 0.00 0.00 178.15 177.90 1r3b h ALA 57 N 0.99 1.49 -0.24 1.87 0.00 -1.15 -0.90 119.26 121.31 1r3b h ALA 57 Ca 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1r3b h ALA 57 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1r3b h ALA 57 CO -0.19 0.39 0.13 0.28 0.00 0.00 0.00 179.25 179.86 1r3b h VAL 58 N 0.61 1.11 0.00 0.00 2.07 0.77 -2.85 116.25 117.97 1r3b h VAL 58 Ca 0.15 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 1r3b h VAL 58 Cb 0.12 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1r3b h VAL 58 CO -0.02 0.11 -0.46 0.78 0.02 0.00 0.00 177.57 178.01 1r3b h ASN 59 N 0.28 0.00 0.49 0.57 2.35 -0.95 -2.97 115.58 115.35 1r3b h ASN 59 Ca 0.08 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1r3b h ASN 59 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1r3b h ASN 59 CO -0.01 0.46 -0.23 0.74 -1.65 0.00 0.00 177.43 176.73 1r3b h THR 60 N 0.00 0.51 -0.18 2.81 2.02 -0.95 0.67 112.91 117.81 1r3b h THR 60 Ca -0.00 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 1r3b h THR 60 Cb 1.12 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1r3b h THR 60 CO 0.06 0.02 -0.10 0.58 0.37 0.00 0.00 175.52 176.45 1r3b h VAL 61 N -0.73 1.18 0.06 3.16 2.07 -1.60 -0.13 116.25 120.26 1r3b h VAL 61 Ca -0.07 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1r3b h VAL 61 Cb 0.54 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1r3b h VAL 61 CO 0.11 0.24 -0.03 0.44 0.02 0.00 0.00 177.57 178.35 1r3b h ASP 62 N 0.26 -0.07 0.21 0.57 3.32 -1.31 -1.87 116.42 117.53 1r3b h ASP 62 Ca 0.06 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1r3b h ASP 62 Cb 0.35 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1r3b h ASP 62 CO 0.02 0.34 -0.11 -0.26 -1.72 0.00 0.00 179.24 177.51 1r3b h PHE 63 N -0.49 -0.28 -0.63 4.55 -1.00 0.59 0.38 116.94 120.06 1r3b h PHE 63 Ca -0.01 -0.01 0.13 0.00 2.81 0.00 0.00 57.97 60.90 1r3b h PHE 63 Cb 0.43 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.05 1r3b h PHE 63 CO 0.06 -0.18 0.43 0.35 -1.61 0.00 0.00 178.31 177.36 1r3b h PHE 64 N -0.30 0.31 0.02 -0.55 3.04 -1.07 -0.51 116.94 117.88 1r3b h PHE 64 Ca -0.03 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1r3b h PHE 64 Cb 0.23 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1r3b h PHE 64 CO -0.07 0.13 -0.01 -0.97 -2.02 0.00 0.00 178.31 175.37 1r3b h ASN 65 N 0.27 -0.02 -0.89 0.41 -1.24 -0.58 -2.90 115.58 110.64 1r3b h ASN 65 Ca 0.30 -0.73 0.12 0.00 0.71 0.00 0.00 56.30 56.70 1r3b h ASN 65 Cb 0.80 0.01 -0.08 0.00 0.73 0.00 0.00 38.32 39.77 1r3b h ASN 65 CO -0.07 0.80 0.51 -0.61 -1.29 0.00 0.00 177.43 176.78 1r3b h GLN 66 N -0.93 0.78 -0.41 6.67 4.15 0.21 0.76 115.11 126.34 1r3b h GLN 66 Ca -0.00 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 1r3b h GLN 66 Cb 0.75 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1r3b h GLN 66 CO 0.00 0.51 -0.06 0.82 -1.93 0.00 0.00 178.83 178.18 1r3b h ILE 67 N 0.80 1.27 -0.03 2.39 2.04 -1.22 -1.65 117.51 121.10 1r3b h ILE 67 Ca 0.45 -1.13 -0.16 0.00 1.00 0.00 0.00 64.86 65.03 1r3b h ILE 67 Cb 0.51 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1r3b h ILE 67 CO -0.29 0.38 -0.68 -1.13 0.00 0.00 0.00 178.15 176.43 1r3b h ASN 68 N 0.58 0.19 0.72 1.72 -1.24 -1.09 -2.83 115.58 113.63 1r3b h ASN 68 Ca 0.11 -0.12 -0.10 0.00 0.71 0.00 0.00 56.30 56.89 1r3b h ASN 68 Cb 0.57 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 1r3b h ASN 68 CO 0.03 0.81 -0.50 -0.03 -1.29 0.00 0.00 177.43 176.46 1r3b h MET 69 N 0.11 0.00 0.00 6.67 4.05 0.61 -2.32 114.93 124.06 1r3b h MET 69 Ca -0.01 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1r3b h MET 69 Cb 1.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 1r3b h MET 69 CO 0.10 0.50 -0.17 -0.07 0.23 0.00 0.00 176.91 177.50 1r3b h LEU 70 N 0.00 0.14 -1.67 3.39 3.38 -1.21 -3.15 115.31 116.19 1r3b h LEU 70 Ca -0.00 -0.79 -0.04 0.00 0.09 0.00 0.00 57.88 57.13 1r3b h LEU 70 Cb 0.99 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1r3b h LEU 70 CO 0.06 0.92 -0.19 0.22 0.09 0.00 0.00 178.44 179.54 1r3b h TYR 71 N -0.62 0.00 -0.38 1.13 3.20 -1.54 -2.70 116.97 116.06 1r3b h TYR 71 Ca -0.02 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.73 1r3b h TYR 71 Cb 0.94 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1r3b h TYR 71 CO 0.19 0.19 -0.26 0.78 -1.64 0.00 0.00 178.16 177.42 1r3b h GLY 72 N 0.95 0.84 2.00 1.82 0.00 -1.45 0.86 103.07 108.09 1r3b h GLY 72 Ca -0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.58 1r3b h GLY 72 CO 0.02 0.68 -0.01 0.00 0.00 0.00 0.00 176.54 177.23 1r3b h THR 73 N 0.67 0.02 -0.00 4.70 1.03 -1.44 -3.11 112.91 114.78 1r3b h THR 73 Ca 0.09 -0.68 0.00 0.00 -0.01 0.00 0.00 66.41 65.81 1r3b h THR 73 Cb 0.78 1.66 0.00 0.00 -1.07 0.00 0.00 68.15 69.52 1r3b h THR 73 CO 0.06 0.01 -0.32 0.00 -0.01 0.00 0.00 175.52 175.26 1r3b n ILE 74 N -3.10 0.00 0.21 0.00 0.00 -1.06 -4.54 119.36 110.86 1r3b n ILE 74 Ca 0.02 -0.34 0.18 0.00 0.00 0.00 0.00 62.75 62.60 1r3b n ILE 74 Cb 0.37 1.07 0.84 0.00 0.00 0.00 0.00 39.64 41.92 1r3b n ILE 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r3b h THR 75 N 0.63 0.40 0.00 9.51 1.03 0.82 0.10 112.91 125.40 1r3b h THR 75 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 66.34 1r3b h THR 75 Cb 0.30 0.81 -0.01 0.00 -1.07 0.00 0.00 68.15 68.18 1r3b h THR 75 CO 0.00 0.00 -0.30 1.05 -0.01 0.00 0.00 175.52 176.26 1r3b h GLU 76 N 0.00 0.00 0.06 0.00 4.11 -1.80 -2.90 114.58 114.05 1r3b h GLU 76 Ca 0.09 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.25 1r3b h GLU 76 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1r3b h GLU 76 CO -0.00 0.30 -1.34 0.74 0.07 0.00 0.00 179.01 178.78 1r3b h PHE 77 N 0.00 0.21 -2.49 2.06 -1.00 -1.12 -3.44 116.94 111.16 1r3b h PHE 77 Ca -0.00 -0.16 -0.58 0.00 2.81 0.00 0.00 57.97 60.04 1r3b h PHE 77 Cb 0.63 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.17 1r3b h PHE 77 CO 0.00 1.17 1.30 0.00 -1.61 0.00 0.00 178.31 179.17 1r3b s THR 79 N 6.76 5.31 0.64 0.00 -1.32 -1.26 -4.95 115.64 120.82 1r3b s THR 79 Ca 0.84 0.26 0.36 0.00 -1.21 0.00 0.00 61.69 61.95 1r3b s THR 79 Cb -0.27 -3.55 0.39 0.00 -1.51 0.00 0.00 72.50 67.56 1r3b s THR 79 CO 0.34 0.29 2.21 -0.08 -2.21 0.00 0.00 174.62 175.17 1r3b h GLU 80 N 7.85 0.00 -0.63 7.08 4.81 -1.96 -1.80 114.58 129.93 1r3b h GLU 80 Ca -0.36 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1r3b h GLU 80 Cb 1.18 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1r3b h GLU 80 CO 0.62 0.00 0.51 0.77 -0.73 0.00 0.00 179.01 180.18 1r3b h SER 81 N 0.00 0.00 -3.94 1.04 0.02 -2.01 -3.21 113.55 105.45 1r3b h SER 81 Ca 0.02 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.34 1r3b h SER 81 Cb 0.24 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.37 1r3b h SER 81 CO -0.00 0.00 -0.64 0.28 -1.14 0.00 0.00 176.83 175.33 1r3b s THR 82 N -4.86 2.40 0.09 -2.27 -1.32 -0.68 -5.07 115.64 103.93 1r3b s THR 82 Ca -0.05 -3.37 -0.11 0.00 -1.21 0.00 0.00 61.69 56.96 1r3b s THR 82 Cb 0.19 -2.65 0.01 0.00 -1.51 0.00 0.00 72.50 68.54 1r3b s THR 82 CO 0.68 -0.87 0.25 0.00 -2.21 0.00 0.00 174.62 172.47 1r3b n SER 84 N 0.02 3.72 -1.09 0.00 2.88 -1.26 -5.10 113.62 112.79 1r3b n SER 84 Ca -0.16 -0.01 0.06 0.00 -1.33 0.00 0.00 58.87 57.43 1r3b n SER 84 Cb 0.62 -0.04 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 1r3b n SER 84 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1r3b n VAL 85 N -2.58 -1.47 -3.52 2.46 0.31 -1.26 -4.75 118.33 107.52 1r3b n VAL 85 Ca -0.04 0.89 -0.41 0.00 -0.01 0.00 0.00 64.34 64.78 1r3b n VAL 85 Cb 0.54 -1.43 -0.05 0.00 -0.91 0.00 0.00 33.84 31.99 1r3b n VAL 85 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1r3b s MET 86 N -4.55 3.40 -0.01 5.55 -1.94 -1.26 -5.02 119.30 115.47 1r3b s MET 86 Ca 0.00 -2.91 -0.03 0.00 -1.71 0.00 0.00 55.69 51.05 1r3b s MET 86 Cb 0.00 -4.15 0.00 0.00 2.01 0.00 0.00 34.83 32.69 1r3b s MET 86 CO 0.00 -1.25 0.06 -1.12 -0.01 0.00 0.00 175.02 172.71 1r3b s SER 87 N 0.91 -0.01 0.19 3.03 0.01 -1.26 -4.84 113.70 111.74 1r3b s SER 87 Ca 0.24 -0.02 -0.16 0.00 1.31 0.00 0.00 55.95 57.32 1r3b s SER 87 Cb -0.11 0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.28 1r3b s SER 87 CO -0.09 -0.12 0.48 0.00 0.41 0.00 0.00 173.24 173.92 1r3b s ALA 88 N -0.41 -0.72 0.00 1.44 0.00 -1.24 -5.05 121.76 115.79 1r3b s ALA 88 Ca -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1r3b s ALA 88 Cb -0.03 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1r3b s ALA 88 CO 0.00 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1r3b n GLY 89 N -0.32 0.27 0.58 0.00 0.00 -1.26 -4.55 105.19 99.91 1r3b n GLY 89 Ca -0.09 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 45.94 1r3b n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1r3b n PRO 90 N 0.00 1.72 -0.08 1.61 -0.04 -1.26 -3.98 135.00 132.96 1r3b n PRO 90 Ca 0.00 -0.79 -0.22 0.00 -0.04 0.00 0.00 63.50 62.45 1r3b n PRO 90 Cb 0.00 -1.38 -0.12 0.00 -0.04 0.00 0.00 33.50 31.96 1r3b n PRO 90 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r3b h ARG 91 N 1.16 0.05 -2.03 0.54 -0.00 -2.01 -3.49 114.38 108.61 1r3b h ARG 91 Ca 0.00 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.98 59.34 1r3b h ARG 91 Cb 0.53 0.03 -0.19 0.00 0.00 0.00 0.00 29.97 30.33 1r3b h ARG 91 CO 0.05 1.04 0.17 -0.47 0.00 0.00 0.00 179.97 180.76 1r3b s TYR 92 N -2.39 -0.68 -0.15 3.04 5.04 -1.26 -5.11 117.35 115.85 1r3b s TYR 92 Ca -0.27 1.28 -0.11 0.00 -2.44 0.00 0.00 57.07 55.53 1r3b s TYR 92 Cb 0.06 0.37 0.05 0.00 0.35 0.00 0.00 41.96 42.79 1r3b s TYR 92 CO 0.63 -0.56 0.38 -1.21 -1.34 0.00 0.00 175.55 173.45 1r3b s GLU 93 N -0.86 0.40 0.00 4.97 0.41 -1.26 -3.60 118.70 118.76 1r3b s GLU 93 Ca -0.09 0.63 -0.00 0.00 -0.41 0.00 0.00 54.97 55.10 1r3b s GLU 93 Cb -0.01 0.09 -0.04 0.00 -1.78 0.00 0.00 34.13 32.39 1r3b s GLU 93 CO 0.08 -0.10 0.09 0.71 -0.49 0.00 0.00 175.26 175.54 1r3b s TYR 94 N 0.78 3.30 -0.10 1.61 1.51 -1.26 -5.10 117.35 118.09 1r3b s TYR 94 Ca -0.05 0.21 -0.33 0.00 -1.01 0.00 0.00 57.07 55.89 1r3b s TYR 94 Cb -0.06 -1.74 0.13 0.00 -0.11 0.00 0.00 41.96 40.19 1r3b s TYR 94 CO -0.06 0.55 1.26 -1.01 -1.11 0.00 0.00 175.55 175.19 1r3b s HIS 95 N -1.22 -0.08 -0.51 2.71 3.76 -1.26 -5.12 115.29 113.58 1r3b s HIS 95 Ca 0.24 -0.00 0.07 0.00 -0.15 0.00 0.00 55.06 55.21 1r3b s HIS 95 Cb -0.12 0.53 0.19 0.00 1.11 0.00 0.00 32.58 34.29 1r3b s HIS 95 CO 0.15 -0.23 0.71 -2.67 -0.85 0.00 0.00 174.74 171.85 1r3b n TRP 96 N -0.31 -3.59 -2.70 1.40 2.14 -1.26 -5.15 117.44 107.96 1r3b n TRP 96 Ca -0.04 -1.53 -0.34 0.00 2.07 0.00 0.00 57.50 57.66 1r3b n TRP 96 Cb 0.61 1.40 -0.05 0.00 -0.81 0.00 0.00 31.31 32.45 1r3b n TRP 96 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1r3b s ALA 97 N 0.79 2.98 -0.01 -1.67 0.00 -1.26 -4.98 121.76 117.61 1r3b s ALA 97 Ca 0.30 0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.80 1r3b s ALA 97 Cb 0.02 -3.20 -0.25 0.00 0.00 0.00 0.00 23.12 19.70 1r3b s ALA 97 CO -0.07 -0.06 0.81 -0.44 0.00 0.00 0.00 175.76 176.00 1r3b h ASP 98 N 1.80 0.17 0.00 0.00 5.19 -1.99 -3.46 116.42 118.14 1r3b h ASP 98 Ca -0.49 -0.28 0.00 0.00 -0.62 0.00 0.00 57.03 55.64 1r3b h ASP 98 Cb 1.20 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1r3b h ASP 98 CO 0.60 1.24 0.00 0.61 -3.12 0.00 0.00 179.24 178.57 1r3b n GLY 99 N 1.60 -1.85 2.60 2.75 0.00 -1.26 -4.95 105.19 104.08 1r3b n GLY 99 Ca -0.15 0.81 -0.21 0.00 0.00 0.00 0.00 46.02 46.47 1r3b n GLY 99 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1r3b n THR 100 N 0.00 -1.33 -3.15 2.61 -1.04 -1.26 -4.94 114.28 105.17 1r3b n THR 100 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1r3b n THR 100 Cb 0.00 -3.13 -0.00 0.00 -1.82 0.00 0.00 70.33 65.38 1r3b n THR 100 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1r3b s ASN 101 N -2.29 -1.33 -0.43 8.00 3.84 -1.26 -5.06 114.94 116.40 1r3b s ASN 101 Ca 0.10 0.16 0.08 0.00 0.21 0.00 0.00 52.86 53.41 1r3b s ASN 101 Cb -0.05 1.84 0.31 0.00 -0.55 0.00 0.00 41.25 42.81 1r3b s ASN 101 CO 0.13 -0.24 0.93 0.00 -2.79 0.00 0.00 177.10 175.12 1r3b n ILE 102 N 5.34 -0.11 -1.46 -5.21 3.06 -1.26 -4.29 119.36 115.43 1r3b n ILE 102 Ca 0.06 -2.56 0.19 0.00 -2.50 0.00 0.00 62.75 57.94 1r3b n ILE 102 Cb 0.55 0.72 -0.07 0.00 0.54 0.00 0.00 39.64 41.38 1r3b n ILE 102 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1r3b n LYS 103 N 0.63 -3.17 -1.56 9.51 3.00 -1.26 -4.87 118.16 120.44 1r3b n LYS 103 Ca 0.13 2.36 -0.30 0.00 -0.00 0.00 0.00 58.31 60.50 1r3b n LYS 103 Cb 0.66 -3.78 0.10 0.00 0.00 0.00 0.00 35.03 32.01 1r3b n LYS 103 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1r3b s LYS 104 N -3.25 1.93 0.18 1.64 1.02 -1.26 -4.97 119.74 115.04 1r3b s LYS 104 Ca 0.00 0.57 -0.32 0.00 0.02 0.00 0.00 55.97 56.24 1r3b s LYS 104 Cb 0.00 -1.91 -0.11 0.00 -0.52 0.00 0.00 37.83 35.29 1r3b s LYS 104 CO 0.00 -1.71 1.72 -1.25 -0.92 0.00 0.00 175.35 173.19 1r3b s PRO 105 N -5.19 4.14 -0.08 -1.68 0.04 -1.26 -5.00 135.00 125.98 1r3b s PRO 105 Ca 0.61 2.56 -0.07 0.00 0.04 0.00 0.00 61.00 64.15 1r3b s PRO 105 Cb -0.14 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.23 1r3b s PRO 105 CO 0.54 -0.75 0.20 -1.50 0.04 0.00 0.00 177.00 175.53 1r3b s ILE 106 N 1.49 -0.00 0.67 0.56 1.10 -1.26 -5.15 121.20 118.60 1r3b s ILE 106 Ca 0.75 0.01 -0.16 0.00 -0.51 0.00 0.00 60.65 60.75 1r3b s ILE 106 Cb -0.48 -0.29 0.00 0.00 0.15 0.00 0.00 42.46 41.85 1r3b s ILE 106 CO 0.33 0.00 1.15 -1.59 -2.11 0.00 0.00 174.94 172.72 1r3b s LYS 107 N 0.18 2.64 -0.23 3.50 -2.85 -1.26 -5.02 119.74 116.70 1r3b s LYS 107 Ca -0.01 1.57 -0.02 0.00 -1.00 0.00 0.00 55.97 56.51 1r3b s LYS 107 Cb -0.02 -1.91 0.01 0.00 -2.06 0.00 0.00 37.83 33.84 1r3b s LYS 107 CO -0.00 -1.41 -0.07 0.00 0.10 0.00 0.00 175.35 173.98 1r3b n SER 109 N 4.73 0.45 0.29 0.00 2.88 -1.26 -4.85 113.62 115.86 1r3b n SER 109 Ca -0.18 -1.33 -0.12 0.00 -1.33 0.00 0.00 58.87 55.92 1r3b n SER 109 Cb 0.49 -0.09 -0.06 0.00 -0.75 0.00 0.00 64.21 63.80 1r3b n SER 109 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r3b h ALA 110 N 0.38 -0.94 0.00 -1.46 0.00 -1.97 0.19 119.26 115.47 1r3b h ALA 110 Ca -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1r3b h ALA 110 Cb 0.27 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1r3b h ALA 110 CO 0.08 -0.88 -0.05 -1.00 0.00 0.00 0.00 179.25 177.40 1r3b h PRO 111 N -0.96 0.00 0.19 0.00 0.13 -1.98 -2.53 132.00 126.86 1r3b h PRO 111 Ca -0.08 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.73 1r3b h PRO 111 Cb 0.58 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.73 1r3b h PRO 111 CO 0.13 0.05 -1.52 0.87 -0.23 0.00 0.00 178.00 177.30 1r3b h LYS 112 N 0.00 0.41 -0.79 0.86 1.57 -1.94 -3.22 116.57 113.47 1r3b h LYS 112 Ca -0.00 -0.70 0.01 0.00 -1.87 0.00 0.00 60.65 58.09 1r3b h LYS 112 Cb 0.22 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1r3b h LYS 112 CO 0.01 1.32 0.52 -0.92 -0.57 0.00 0.00 179.45 179.81 1r3b h TYR 113 N 0.11 0.99 0.56 -1.35 5.03 -0.18 0.21 116.97 122.35 1r3b h TYR 113 Ca -0.25 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.05 1r3b h TYR 113 Cb 2.09 -0.34 0.01 0.00 1.55 0.00 0.00 36.73 40.04 1r3b h TYR 113 CO 0.10 0.63 -0.27 0.82 -1.32 0.00 0.00 178.16 178.12 1r3b h ILE 114 N 1.07 0.44 -0.02 1.81 2.04 -1.64 -1.46 117.51 119.76 1r3b h ILE 114 Ca 0.29 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 66.13 1r3b h ILE 114 Cb -0.12 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1r3b h ILE 114 CO -0.06 0.00 0.02 -0.78 0.00 0.00 0.00 178.15 177.33 1r3b h ASP 115 N -0.77 0.00 -0.49 1.72 1.82 -1.52 -1.43 116.42 115.74 1r3b h ASP 115 Ca -0.08 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.52 1r3b h ASP 115 Cb 0.59 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.58 1r3b h ASP 115 CO 0.13 0.00 0.15 1.88 -1.61 0.00 0.00 179.24 179.79 1r3b h TYR 116 N 0.00 0.80 0.09 0.28 0.05 0.12 0.98 116.97 119.29 1r3b h TYR 116 Ca 0.01 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 1r3b h TYR 116 Cb 0.05 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.56 1r3b h TYR 116 CO 0.00 0.70 -0.04 1.25 -1.05 0.00 0.00 178.16 179.01 1r3b h LEU 117 N 0.67 -0.11 -1.68 3.88 5.85 -0.25 -2.52 115.31 121.15 1r3b h LEU 117 Ca 0.16 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1r3b h LEU 117 Cb 0.27 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1r3b h LEU 117 CO -0.00 0.21 0.06 0.24 -0.34 0.00 0.00 178.44 178.61 1r3b h MET 118 N -0.43 0.26 0.67 1.25 2.86 -1.39 -2.05 114.93 116.09 1r3b h MET 118 Ca -0.01 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1r3b h MET 118 Cb 0.36 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.98 1r3b h MET 118 CO 0.02 0.24 -0.32 1.15 1.06 0.00 0.00 176.91 179.06 1r3b h THR 119 N 0.26 0.28 -0.75 2.22 2.02 -0.64 0.15 112.91 116.45 1r3b h THR 119 Ca 0.07 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.15 1r3b h THR 119 Cb 0.09 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 66.78 1r3b h THR 119 CO -0.00 0.02 0.49 -0.25 0.37 0.00 0.00 175.52 176.15 1r3b h TRP 120 N -1.02 0.82 -0.06 3.16 7.01 -1.26 -1.25 115.95 123.36 1r3b h TRP 120 Ca -0.09 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.91 1r3b h TRP 120 Cb 0.72 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 27.51 1r3b h TRP 120 CO -0.01 0.44 -0.05 0.28 -2.79 0.00 0.00 178.44 176.31 1r3b h VAL 121 N 0.82 1.37 0.00 2.65 2.07 -1.22 -3.05 116.25 118.88 1r3b h VAL 121 Ca 0.32 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1r3b h VAL 121 Cb 0.22 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1r3b h VAL 121 CO -0.11 0.32 -0.04 0.06 0.02 0.00 0.00 177.57 177.83 1r3b h GLN 122 N -0.30 0.00 -0.46 1.57 3.07 -0.29 -2.75 115.11 115.94 1r3b h GLN 122 Ca 0.01 0.00 0.09 0.00 0.09 0.00 0.00 58.65 58.84 1r3b h GLN 122 Cb 0.55 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.03 1r3b h GLN 122 CO 0.01 0.04 0.02 0.22 0.09 0.00 0.00 178.83 179.22 1r3b h ASP 123 N 0.00 -0.15 -0.15 0.06 3.58 -1.12 1.01 116.42 119.65 1r3b h ASP 123 Ca -0.00 0.10 -0.16 0.00 0.42 0.00 0.00 57.03 57.39 1r3b h ASP 123 Cb 0.17 0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.40 1r3b h ASP 123 CO 0.01 -0.04 -0.54 1.56 -2.88 0.00 0.00 179.24 177.35 1r3b h GLN 124 N 0.14 0.63 0.00 0.28 7.50 -1.63 0.60 115.11 122.63 1r3b h GLN 124 Ca 0.23 -0.48 0.00 0.00 0.50 0.00 0.00 58.65 58.90 1r3b h GLN 124 Cb 0.33 0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.95 1r3b h GLN 124 CO -0.36 1.10 0.00 -0.07 -1.50 0.00 0.00 178.83 177.99 1r3b h LEU 125 N 0.30 0.00 -2.02 1.46 3.38 -1.18 -0.74 115.31 116.50 1r3b h LEU 125 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1r3b h LEU 125 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1r3b h LEU 125 CO 0.11 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.97 1r3b n ASP 126 N -2.71 1.69 -3.67 -0.43 2.03 0.34 -4.88 116.55 108.92 1r3b n ASP 126 Ca -0.02 -1.54 -0.29 0.00 0.52 0.00 0.00 54.79 53.45 1r3b n ASP 126 Cb 0.08 -0.02 -0.13 0.00 -0.72 0.00 0.00 41.12 40.33 1r3b n ASP 126 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1r3b s ASP 127 N -0.59 3.58 0.60 1.67 1.01 0.20 -5.00 116.67 118.14 1r3b s ASP 127 Ca 0.04 -2.44 0.00 0.00 0.71 0.00 0.00 52.55 50.85 1r3b s ASP 127 Cb 0.02 -0.91 0.00 0.00 1.01 0.00 0.00 42.92 43.04 1r3b s ASP 127 CO 0.03 -0.29 0.00 1.21 0.21 0.00 0.00 175.17 176.33 1r3b n GLU 128 N 3.77 -0.62 0.00 8.23 4.07 -1.26 -4.05 120.64 130.77 1r3b n GLU 128 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1r3b n GLU 128 Cb 0.36 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.74 1r3b n GLU 128 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1r3b n THR 129 N -2.24 0.00 0.16 6.31 -2.24 -1.26 -4.59 114.28 110.41 1r3b n THR 129 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1r3b n THR 129 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1r3b n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r3b n LEU 130 N 0.00 0.24 -4.84 3.22 -0.00 -1.26 -3.61 117.00 110.75 1r3b n LEU 130 Ca 0.00 -0.53 -0.22 0.00 -0.00 0.00 0.00 56.01 55.26 1r3b n LEU 130 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1r3b n LEU 130 CO 0.00 0.06 -0.04 -0.36 -0.00 0.00 0.00 177.39 177.05 1r3b s PHE 131 N -1.25 2.61 0.54 1.47 0.08 -1.26 -4.76 117.98 115.40 1r3b s PHE 131 Ca 0.01 -0.54 -0.07 0.00 0.12 0.00 0.00 56.93 56.45 1r3b s PHE 131 Cb 0.03 -2.10 0.12 0.00 -0.57 0.00 0.00 43.02 40.49 1r3b s PHE 131 CO 0.13 -0.06 0.26 -0.35 -0.10 0.00 0.00 175.22 175.10 1r3b n PRO 132 N -1.48 -1.28 0.00 0.24 -0.04 -1.26 -3.75 135.00 127.43 1r3b n PRO 132 Ca 0.02 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 1r3b n PRO 132 Cb 0.63 -0.77 0.00 0.00 -0.04 0.00 0.00 33.50 33.32 1r3b n PRO 132 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1r3b n SER 133 N -2.07 0.00 -4.53 3.54 2.88 -1.26 -4.78 113.62 107.40 1r3b n SER 133 Ca 0.04 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.17 1r3b n SER 133 Cb 0.18 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1r3b n SER 133 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1r3b s LYS 134 N 0.00 3.49 0.65 -1.46 2.20 -1.25 -5.06 119.74 118.32 1r3b s LYS 134 Ca 0.00 -0.46 -0.18 0.00 -0.36 0.00 0.00 55.97 54.98 1r3b s LYS 134 Cb 0.00 -3.83 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 1r3b s LYS 134 CO 0.00 -0.59 1.09 0.44 -0.36 0.00 0.00 175.35 175.93 1r3b n ILE 135 N 5.29 4.02 0.00 5.43 -5.35 -1.26 -4.61 119.36 122.87 1r3b n ILE 135 Ca -0.08 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 1r3b n ILE 135 Cb 0.49 -1.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.13 1r3b n ILE 135 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r3b n GLY 136 N 1.11 -1.48 3.80 3.28 0.00 -1.26 -4.90 105.19 105.73 1r3b n GLY 136 Ca 0.15 0.59 -0.33 0.00 0.00 0.00 0.00 46.02 46.43 1r3b n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r3b s VAL 137 N 0.00 3.76 0.38 1.61 -7.23 -1.24 -5.01 120.40 112.68 1r3b s VAL 137 Ca 0.00 0.84 -0.26 0.00 -1.81 0.00 0.00 61.98 60.75 1r3b s VAL 137 Cb 0.00 -3.36 -0.09 0.00 0.56 0.00 0.00 36.38 33.49 1r3b s VAL 137 CO 0.00 -0.48 1.19 -2.16 -0.31 0.00 0.00 175.10 173.34 1r3b s PRO 138 N -4.05 4.14 -0.16 4.82 0.04 -1.26 -4.90 135.00 133.65 1r3b s PRO 138 Ca 0.64 1.92 -0.25 0.00 0.04 0.00 0.00 61.00 63.35 1r3b s PRO 138 Cb -0.16 -2.79 -0.24 0.00 0.04 0.00 0.00 34.50 31.35 1r3b s PRO 138 CO 0.37 -0.27 0.57 0.35 0.04 0.00 0.00 177.00 178.06 1r3b h PHE 139 N 2.86 0.07 -0.30 0.56 3.04 -1.95 -0.59 116.94 120.63 1r3b h PHE 139 Ca -0.49 -0.05 -0.17 0.00 3.98 0.00 0.00 57.97 61.25 1r3b h PHE 139 Cb 1.23 -0.00 -0.09 0.00 2.56 0.00 0.00 35.95 39.65 1r3b h PHE 139 CO 0.55 1.23 0.22 -0.35 -2.02 0.00 0.00 178.31 177.94 1r3b n PRO 140 N -4.47 1.41 0.00 6.41 -0.04 -1.26 -1.58 135.00 135.48 1r3b n PRO 140 Ca -0.19 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1r3b n PRO 140 Cb 0.60 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1r3b n PRO 140 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1r3b n LYS 141 N 0.26 0.00 -0.10 0.54 4.76 -1.26 -4.94 118.16 117.42 1r3b n LYS 141 Ca 0.18 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.48 1r3b n LYS 141 Cb 0.75 -0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.89 1r3b n LYS 141 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1r3b n ASN 142 N -2.48 1.91 -0.10 4.39 5.15 -0.91 -3.74 115.26 119.48 1r3b n ASN 142 Ca 0.00 0.41 -0.06 0.00 -0.60 0.00 0.00 54.58 54.33 1r3b n ASN 142 Cb 0.00 -0.81 0.00 0.00 -0.53 0.00 0.00 39.78 38.45 1r3b n ASN 142 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1r3b h PHE 143 N -1.00 -0.41 0.40 1.20 3.04 -1.10 0.72 116.94 119.78 1r3b h PHE 143 Ca -0.18 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.79 1r3b h PHE 143 Cb 1.05 0.24 -0.00 0.00 2.56 0.00 0.00 35.95 39.80 1r3b h PHE 143 CO -0.26 -0.24 -0.22 1.98 -2.02 0.00 0.00 178.31 177.54 1r3b h MET 144 N -0.10 -0.56 -0.19 1.11 4.05 -1.54 1.08 114.93 118.78 1r3b h MET 144 Ca 0.18 0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.65 1r3b h MET 144 Cb 0.38 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 1r3b h MET 144 CO -0.42 -0.37 0.07 1.03 0.23 0.00 0.00 176.91 177.44 1r3b h SER 145 N -0.58 0.08 -0.26 1.39 0.87 -1.54 0.60 113.55 114.11 1r3b h SER 145 Ca -0.05 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.41 1r3b h SER 145 Cb 0.46 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1r3b h SER 145 CO 0.07 0.07 -0.26 0.58 -0.53 0.00 0.00 176.83 176.76 1r3b h VAL 146 N 0.16 1.27 -0.17 2.23 2.07 0.54 -1.41 116.25 120.94 1r3b h VAL 146 Ca 0.08 -1.38 -0.16 0.00 0.82 0.00 0.00 66.70 66.07 1r3b h VAL 146 Cb 0.05 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1r3b h VAL 146 CO -0.08 0.46 -0.55 0.00 0.02 0.00 0.00 177.57 177.41 1r3b h ALA 147 N 1.06 0.71 -0.21 1.67 0.00 0.16 -3.05 119.26 119.61 1r3b h ALA 147 Ca 0.08 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1r3b h ALA 147 Cb 0.77 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1r3b h ALA 147 CO 0.06 0.69 -0.32 0.87 0.00 0.00 0.00 179.25 180.56 1r3b h LYS 148 N 0.40 0.59 -0.73 0.00 1.57 0.34 -1.41 116.57 117.33 1r3b h LYS 148 Ca 0.01 -0.35 0.05 0.00 -1.87 0.00 0.00 60.65 58.48 1r3b h LYS 148 Cb 1.09 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 1r3b h LYS 148 CO 0.10 0.96 0.44 0.00 -0.57 0.00 0.00 179.45 180.38 1r3b h THR 149 N 0.27 1.04 -0.07 -0.16 1.03 -1.28 0.12 112.91 113.85 1r3b h THR 149 Ca 0.02 -0.29 -0.11 0.00 -0.01 0.00 0.00 66.41 66.03 1r3b h THR 149 Cb 0.90 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.12 1r3b h THR 149 CO 0.07 0.15 -0.37 0.16 -0.01 0.00 0.00 175.52 175.53 1r3b h ILE 150 N 0.83 1.41 -0.96 0.00 3.07 -1.55 -1.32 117.51 118.99 1r3b h ILE 150 Ca 0.31 -1.76 0.07 0.00 1.55 0.00 0.00 64.86 65.03 1r3b h ILE 150 Cb 0.12 2.31 -0.06 0.00 -0.27 0.00 0.00 36.82 38.91 1r3b h ILE 150 CO -0.15 0.51 0.63 -0.07 -1.05 0.00 0.00 178.15 178.02 1r3b h LEU 151 N -0.09 0.99 -0.27 0.16 4.07 -0.99 0.41 115.31 119.58 1r3b h LEU 151 Ca -0.03 0.01 -0.21 0.00 0.08 0.00 0.00 57.88 57.73 1r3b h LEU 151 Cb 1.02 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1r3b h LEU 151 CO 0.08 0.63 -0.80 0.11 -1.08 0.00 0.00 178.44 177.38 1r3b h LYS 152 N 1.12 0.55 -0.30 1.13 6.56 -0.78 -2.86 116.57 121.98 1r3b h LYS 152 Ca 0.42 -0.48 -0.09 0.00 -1.06 0.00 0.00 60.65 59.44 1r3b h LYS 152 Cb 0.18 0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 1r3b h LYS 152 CO -0.16 1.10 -0.17 -0.09 -2.06 0.00 0.00 179.45 178.07 1r3b h ARG 153 N 0.36 0.64 -0.10 3.15 1.12 -0.31 -3.19 114.38 116.04 1r3b h ARG 153 Ca -0.05 -0.29 0.02 0.00 -1.11 0.00 0.00 59.98 58.55 1r3b h ARG 153 Cb 1.41 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 31.33 1r3b h ARG 153 CO 0.15 0.88 -0.03 -0.07 -3.11 0.00 0.00 179.97 177.78 1r3b h LEU 154 N 0.39 -0.11 -1.51 3.80 -0.00 -0.27 -1.89 115.31 115.72 1r3b h LEU 154 Ca 0.06 0.03 0.31 0.00 -0.00 0.00 0.00 57.88 58.28 1r3b h LEU 154 Cb 0.70 0.07 -0.09 0.00 -0.00 0.00 0.00 40.66 41.34 1r3b h LEU 154 CO 0.05 -0.04 0.73 0.15 -0.00 0.00 0.00 178.44 179.33 1r3b h PHE 155 N -0.01 0.50 -0.09 1.13 3.04 -1.51 0.84 116.94 120.83 1r3b h PHE 155 Ca 0.05 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.05 1r3b h PHE 155 Cb 0.09 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.45 1r3b h PHE 155 CO -0.15 0.01 0.07 -0.09 -2.02 0.00 0.00 178.31 176.13 1r3b h ARG 156 N 0.27 0.00 -0.97 1.11 2.43 -1.33 -1.67 114.38 114.21 1r3b h ARG 156 Ca 0.62 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.89 1r3b h ARG 156 Cb 1.81 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 31.29 1r3b h ARG 156 CO -0.25 0.00 0.62 0.28 -1.51 0.00 0.00 179.97 179.11 1r3b h VAL 157 N 0.00 0.96 0.31 0.20 2.07 0.65 -2.26 116.25 118.19 1r3b h VAL 157 Ca 0.05 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1r3b h VAL 157 Cb 0.19 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1r3b h VAL 157 CO -0.00 0.18 -0.24 1.88 0.02 0.00 0.00 177.57 179.41 1r3b h TYR 158 N 1.00 -0.65 -0.82 1.57 -1.99 -1.42 0.38 116.97 115.05 1r3b h TYR 158 Ca 0.46 -0.00 0.15 0.00 2.00 0.00 0.00 58.73 61.34 1r3b h TYR 158 Cb 0.41 0.24 -0.10 0.00 2.00 0.00 0.00 36.73 39.29 1r3b h TYR 158 CO -0.00 -0.37 0.39 0.00 -0.00 0.00 0.00 178.16 178.18 1r3b h ALA 159 N 0.06 1.21 0.27 3.88 0.00 -1.51 1.04 119.26 124.21 1r3b h ALA 159 Ca -0.02 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1r3b h ALA 159 Cb 0.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1r3b h ALA 159 CO -0.01 -0.14 -0.13 1.25 0.00 0.00 0.00 179.25 180.22 1r3b h HIS 160 N 0.55 -0.33 -0.29 0.00 -0.00 -1.05 -2.95 115.15 111.08 1r3b h HIS 160 Ca 0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.81 1r3b h HIS 160 Cb 0.66 0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 28.17 1r3b h HIS 160 CO -0.12 0.01 0.19 -0.84 -0.00 0.00 0.00 177.93 177.17 1r3b h ILE 161 N -0.95 1.09 -0.16 6.26 -0.00 0.06 0.37 117.51 124.18 1r3b h ILE 161 Ca -0.04 -0.17 0.04 0.00 -0.00 0.00 0.00 64.86 64.69 1r3b h ILE 161 Cb 0.49 0.68 -0.05 0.00 -0.00 0.00 0.00 36.82 37.95 1r3b h ILE 161 CO 0.06 0.08 -0.12 0.22 -0.00 0.00 0.00 178.15 178.39 1r3b h TYR 162 N 0.38 -0.29 0.03 0.16 5.03 0.99 -1.48 116.97 121.79 1r3b h TYR 162 Ca 0.11 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.44 1r3b h TYR 162 Cb -0.02 0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.41 1r3b h TYR 162 CO -0.05 -0.18 -0.01 0.45 -1.32 0.00 0.00 178.16 177.05 1r3b h HIS 163 N -0.12 -0.03 -0.47 -3.82 3.86 -1.41 -3.04 115.15 110.12 1r3b h HIS 163 Ca 0.10 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.40 1r3b h HIS 163 Cb 0.27 0.01 -0.10 0.00 1.06 0.00 0.00 27.41 28.65 1r3b h HIS 163 CO -0.26 0.56 -0.28 0.37 0.86 0.00 0.00 177.93 179.18 1r3b h GLN 164 N -0.66 -0.17 -2.35 2.45 5.75 -0.19 -3.02 115.11 116.92 1r3b h GLN 164 Ca -0.00 0.01 -0.66 0.00 -0.15 0.00 0.00 58.65 57.84 1r3b h GLN 164 Cb 0.61 0.04 -0.37 0.00 1.07 0.00 0.00 27.48 28.82 1r3b h GLN 164 CO 0.01 -0.12 -0.13 -2.39 -2.65 0.00 0.00 178.83 173.55 1r3b n HIS 165 N -5.42 3.43 0.05 3.99 1.44 -0.56 -4.85 115.22 113.30 1r3b n HIS 165 Ca 0.03 -3.60 -0.13 0.00 -2.01 0.00 0.00 57.72 52.01 1r3b n HIS 165 Cb 0.33 -0.75 -0.09 0.00 0.12 0.00 0.00 29.99 29.61 1r3b n HIS 165 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 1r3b h PHE 166 N 3.96 -0.13 -0.93 -1.40 3.04 -1.40 -2.95 116.94 117.14 1r3b h PHE 166 Ca 0.23 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.18 1r3b h PHE 166 Cb 0.54 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 39.05 1r3b h PHE 166 CO 0.91 0.26 0.58 0.22 -2.02 0.00 0.00 178.31 178.26 1r3b h ASP 167 N -0.55 1.10 -0.84 0.41 3.58 -1.89 -2.19 116.42 116.05 1r3b h ASP 167 Ca -0.01 -0.05 0.10 0.00 0.42 0.00 0.00 57.03 57.48 1r3b h ASP 167 Cb 0.45 -0.28 -0.06 0.00 1.72 0.00 0.00 39.33 41.16 1r3b h ASP 167 CO 0.02 0.83 0.54 0.00 -2.88 0.00 0.00 179.24 177.75 1r3b h ALA 168 N 1.36 1.72 -0.49 -0.78 0.00 -1.93 0.19 119.26 119.34 1r3b h ALA 168 Ca 0.34 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1r3b h ALA 168 Cb -0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1r3b h ALA 168 CO -0.07 0.10 0.32 0.28 0.00 0.00 0.00 179.25 179.88 1r3b h VAL 169 N 0.78 1.11 -0.18 0.00 2.07 -1.21 -1.93 116.25 116.89 1r3b h VAL 169 Ca 0.39 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 67.50 1r3b h VAL 169 Cb 0.46 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1r3b h VAL 169 CO -0.16 0.12 -0.63 0.24 0.02 0.00 0.00 177.57 177.15 1r3b h MET 170 N 0.65 0.65 0.00 1.57 2.07 -1.27 -2.91 114.93 115.69 1r3b h MET 170 Ca 0.18 -0.46 -0.00 0.00 -2.07 0.00 0.00 59.70 57.35 1r3b h MET 170 Cb -0.06 0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 29.74 1r3b h MET 170 CO -0.05 1.08 -0.00 1.96 1.07 0.00 0.00 176.91 180.97 1r3b h GLN 171 N 0.48 0.00 -1.94 1.72 1.08 -0.26 -2.95 115.11 113.24 1r3b h GLN 171 Ca -0.01 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.91 1r3b h GLN 171 Cb 1.22 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.54 1r3b h GLN 171 CO 0.12 0.00 0.01 1.28 -0.95 0.00 0.00 178.83 179.30 1r3b n LEU 172 N -3.16 5.80 0.00 1.46 4.77 -0.76 -4.83 117.00 120.28 1r3b n LEU 172 Ca -0.03 -3.39 0.00 0.00 -0.03 0.00 0.00 56.01 52.56 1r3b n LEU 172 Cb 0.07 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 1r3b n LEU 172 CO 0.21 1.57 0.00 1.67 -1.33 0.00 0.00 177.39 179.51 1r3b n GLN 173 N 1.59 0.00 -4.04 3.23 7.27 -1.11 -4.77 117.38 119.54 1r3b n GLN 173 Ca 0.38 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.35 1r3b n GLN 173 Cb 0.71 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.28 1r3b n GLN 173 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1r3b s GLU 174 N 0.00 1.29 -0.45 3.69 2.02 -1.25 -5.00 118.70 119.01 1r3b s GLU 174 Ca 0.00 -1.32 0.03 0.00 0.02 0.00 0.00 54.97 53.69 1r3b s GLU 174 Cb 0.00 0.38 0.58 0.00 0.10 0.00 0.00 34.13 35.18 1r3b s GLU 174 CO 0.00 -0.49 1.88 -1.91 0.02 0.00 0.00 175.26 174.77 1r3b n GLU 175 N -0.28 2.22 0.06 1.61 2.13 -1.26 -4.34 120.64 120.78 1r3b n GLU 175 Ca -0.03 -2.81 -0.04 0.00 0.66 0.00 0.00 57.16 54.94 1r3b n GLU 175 Cb 0.63 -2.10 -0.08 0.00 0.27 0.00 0.00 31.44 30.16 1r3b n GLU 175 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1r3b h ALA 176 N 1.24 0.57 0.23 4.31 0.00 -1.93 -3.29 119.26 120.40 1r3b h ALA 176 Ca 0.58 -0.92 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1r3b h ALA 176 Cb 2.36 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 20.21 1r3b h ALA 176 CO 1.10 1.12 -0.29 1.25 0.00 0.00 0.00 179.25 182.44 1r3b h HIS 177 N 0.00 -0.78 0.25 0.00 -0.00 -1.93 0.95 115.15 113.64 1r3b h HIS 177 Ca -0.10 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 1r3b h HIS 177 Cb 1.70 0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 29.42 1r3b h HIS 177 CO 0.00 -0.41 -0.17 -0.07 -0.00 0.00 0.00 177.93 177.28 1r3b h LEU 178 N -0.57 -0.43 -0.85 0.26 3.38 -1.91 -0.25 115.31 114.94 1r3b h LEU 178 Ca 0.00 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1r3b h LEU 178 Cb 0.55 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 1r3b h LEU 178 CO -0.10 -0.27 0.54 -1.13 0.09 0.00 0.00 178.44 177.57 1r3b h ASN 179 N -0.41 0.88 0.35 -0.43 -0.73 -1.59 0.16 115.58 113.81 1r3b h ASN 179 Ca -0.02 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.14 1r3b h ASN 179 Cb 0.35 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.75 1r3b h ASN 179 CO 0.01 0.59 -0.20 0.74 -0.37 0.00 0.00 177.43 178.20 1r3b h THR 180 N 1.03 0.59 -0.13 -3.57 2.02 0.13 -0.82 112.91 112.16 1r3b h THR 180 Ca 0.35 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.50 1r3b h THR 180 Cb 0.06 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1r3b h THR 180 CO -0.13 0.00 -0.05 0.28 0.37 0.00 0.00 175.52 175.98 1r3b h SER 181 N -0.52 0.17 0.20 4.18 0.02 -0.73 -1.69 113.55 115.18 1r3b h SER 181 Ca -0.04 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 1r3b h SER 181 Cb 0.42 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1r3b h SER 181 CO 0.05 0.25 -0.32 0.15 -1.14 0.00 0.00 176.83 175.83 1r3b h PHE 182 N 0.18 0.21 -0.13 3.45 3.04 -0.12 -2.43 116.94 121.14 1r3b h PHE 182 Ca 0.04 -0.04 0.03 0.00 3.98 0.00 0.00 57.97 61.98 1r3b h PHE 182 Cb 0.22 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.65 1r3b h PHE 182 CO 0.00 0.49 -0.06 -0.22 -2.02 0.00 0.00 178.31 176.50 1r3b h LYS 183 N 0.17 -0.05 -0.25 1.11 3.64 -0.18 0.43 116.57 121.44 1r3b h LYS 183 Ca 0.02 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1r3b h LYS 183 Cb 0.65 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1r3b h LYS 183 CO 0.05 -0.03 -0.20 1.25 -2.27 0.00 0.00 179.45 178.25 1r3b h HIS 184 N -0.05 0.49 0.00 1.91 2.76 -1.57 0.91 115.15 119.60 1r3b h HIS 184 Ca 0.07 -0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.09 1r3b h HIS 184 Cb 0.16 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1r3b h HIS 184 CO -0.19 0.62 -0.29 0.35 -1.30 0.00 0.00 177.93 177.12 1r3b h PHE 185 N 0.40 0.00 0.00 5.26 3.57 -0.79 -2.37 116.94 123.02 1r3b h PHE 185 Ca 0.07 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.33 1r3b h PHE 185 Cb 0.58 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 1r3b h PHE 185 CO 0.02 0.29 -1.49 -0.89 -2.23 0.00 0.00 178.31 174.01 1r3b n ILE 186 N -3.84 1.51 -0.35 1.41 2.08 0.14 -4.05 119.36 116.26 1r3b n ILE 186 Ca -0.01 -0.08 0.16 0.00 0.56 0.00 0.00 62.75 63.38 1r3b n ILE 186 Cb 0.38 -2.08 0.37 0.00 -0.75 0.00 0.00 39.64 37.55 1r3b n ILE 186 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1r3b h PHE 187 N -1.00 1.02 -0.26 1.39 3.57 0.75 0.79 116.94 123.20 1r3b h PHE 187 Ca -0.36 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 1r3b h PHE 187 Cb 1.24 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1r3b h PHE 187 CO -0.06 0.14 0.10 0.35 -2.23 0.00 0.00 178.31 176.60 1r3b h PHE 188 N 0.65 0.35 0.63 0.41 3.04 -1.62 -2.35 116.94 118.05 1r3b h PHE 188 Ca 0.61 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.53 1r3b h PHE 188 Cb 1.11 -0.11 0.01 0.00 2.56 0.00 0.00 35.95 39.51 1r3b h PHE 188 CO -0.01 0.29 -0.30 0.28 -2.02 0.00 0.00 178.31 176.55 1r3b h VAL 189 N 0.36 0.23 -0.59 1.41 2.07 0.46 -2.69 116.25 117.50 1r3b h VAL 189 Ca 0.09 -0.30 0.17 0.00 0.82 0.00 0.00 66.70 67.48 1r3b h VAL 189 Cb 0.09 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1r3b h VAL 189 CO -0.01 0.03 0.44 1.56 0.02 0.00 0.00 177.57 179.61 1r3b h GLN 190 N -1.08 0.00 0.33 1.57 4.20 -1.26 2.81 115.11 121.69 1r3b h GLN 190 Ca -0.09 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1r3b h GLN 190 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1r3b h GLN 190 CO 0.14 0.00 -0.16 1.49 -0.67 0.00 0.00 178.83 179.63 1r3b h GLU 191 N 0.00 -0.43 0.00 1.46 4.57 -1.24 -3.34 114.58 115.60 1r3b h GLU 191 Ca 0.28 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 1r3b h GLU 191 Cb 1.15 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1r3b h GLU 191 CO -0.00 -0.11 -0.26 1.19 -1.18 0.00 0.00 179.01 178.65 1r3b n PHE 192 N -5.14 0.00 0.00 0.92 3.72 -0.93 -4.88 117.46 111.15 1r3b n PHE 192 Ca -0.10 -1.16 0.00 0.00 -0.05 0.00 0.00 57.45 56.14 1r3b n PHE 192 Cb 0.27 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1r3b n PHE 192 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1r3b n ASN 193 N -1.19 0.00 -0.29 4.37 5.03 0.89 -5.01 115.26 119.05 1r3b n ASN 193 Ca 0.16 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.58 1r3b n ASN 193 Cb 0.68 0.13 -0.02 0.00 -1.02 0.00 0.00 39.78 39.55 1r3b n ASN 193 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1r3b n LEU 194 N -2.28 0.23 -4.79 3.41 7.94 0.20 -4.87 117.00 116.83 1r3b n LEU 194 Ca 0.00 0.09 -0.32 0.00 -1.11 0.00 0.00 56.01 54.67 1r3b n LEU 194 Cb 0.00 -1.94 0.04 0.00 0.53 0.00 0.00 43.42 42.05 1r3b n LEU 194 CO 0.00 -0.70 0.72 -0.51 -1.11 0.00 0.00 177.39 175.79 1r3b s ILE 195 N -1.64 3.66 0.00 1.96 1.10 -1.26 -4.94 121.20 120.08 1r3b s ILE 195 Ca 0.00 0.69 0.00 0.00 -0.51 0.00 0.00 60.65 60.83 1r3b s ILE 195 Cb 0.00 -3.26 0.00 0.00 0.15 0.00 0.00 42.46 39.35 1r3b s ILE 195 CO 0.00 -0.55 0.00 0.47 -2.11 0.00 0.00 174.94 172.75 1r3b n ASP 196 N -2.55 0.00 -0.00 4.50 8.00 -1.26 -4.84 116.55 120.40 1r3b n ASP 196 Ca 0.09 0.02 0.01 0.00 0.71 0.00 0.00 54.79 55.62 1r3b n ASP 196 Cb 0.53 -0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.56 1r3b n ASP 196 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1r3b n ARG 197 N -1.26 6.07 0.18 -1.24 0.00 -1.26 -4.17 116.66 114.99 1r3b n ARG 197 Ca 0.00 -0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 1r3b n ARG 197 Cb 0.00 -0.61 -0.07 0.00 -0.00 0.00 0.00 32.46 31.77 1r3b n ARG 197 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1r3b h ARG 198 N 0.00 -0.67 0.00 2.89 9.65 -1.96 0.37 114.38 124.66 1r3b h ARG 198 Ca 0.00 0.05 -0.25 0.00 -1.10 0.00 0.00 59.98 58.67 1r3b h ARG 198 Cb 0.05 0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 28.73 1r3b h ARG 198 CO 0.00 -0.45 -1.77 -1.91 2.80 0.00 0.00 179.97 178.64 1r3b n GLU 199 N -5.46 0.64 -1.00 0.20 4.07 -1.26 -4.08 120.64 113.75 1r3b n GLU 199 Ca -0.09 0.18 -0.18 0.00 -0.06 0.00 0.00 57.16 57.02 1r3b n GLU 199 Cb 0.37 -1.73 0.16 0.00 -0.06 0.00 0.00 31.44 30.18 1r3b n GLU 199 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1r3b n LEU 200 N -2.89 6.01 -0.33 4.31 4.77 -1.21 -4.69 117.00 122.97 1r3b n LEU 200 Ca -0.17 -3.19 -0.00 0.00 -0.03 0.00 0.00 56.01 52.62 1r3b n LEU 200 Cb 0.98 -0.77 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1r3b n LEU 200 CO 0.44 0.93 0.62 0.00 -1.33 0.00 0.00 177.39 178.05 1r3b h ALA 201 N 1.34 0.25 -0.06 -1.18 0.00 -0.41 -1.16 119.26 118.04 1r3b h ALA 201 Ca 0.49 0.28 -0.34 0.00 0.00 0.00 0.00 54.91 55.34 1r3b h ALA 201 Cb 2.49 0.88 -0.06 0.00 0.00 0.00 0.00 17.79 21.11 1r3b h ALA 201 CO 0.88 -0.57 0.72 -0.35 0.00 0.00 0.00 179.25 179.93 1r3b n PRO 202 N -5.50 2.50 0.00 0.00 -0.04 -1.26 -3.60 135.00 127.10 1r3b n PRO 202 Ca 0.10 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 1r3b n PRO 202 Cb 0.41 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1r3b n PRO 202 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1r3b n LEU 203 N 2.59 0.00 0.31 1.53 0.00 -0.44 -4.82 117.00 116.17 1r3b n LEU 203 Ca 0.52 0.00 0.18 0.00 0.00 0.00 0.00 56.01 56.71 1r3b n LEU 203 Cb 0.71 0.00 1.02 0.00 0.00 0.00 0.00 43.42 45.15 1r3b n LEU 203 CO 0.32 0.00 1.15 1.56 0.00 0.00 0.00 177.39 180.42 1r3b h GLN 204 N 0.00 0.00 0.01 1.96 1.08 -1.66 -0.46 115.11 116.03 1r3b h GLN 204 Ca 0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 1r3b h GLN 204 Cb 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1r3b h GLN 204 CO 0.00 0.00 -0.63 1.05 -0.95 0.00 0.00 178.83 178.30 1r3b h GLU 205 N 0.00 0.41 -0.01 1.46 -0.00 -1.88 -2.28 114.58 112.28 1r3b h GLU 205 Ca 0.00 -0.45 -0.17 0.00 -0.00 0.00 0.00 59.36 58.74 1r3b h GLU 205 Cb 0.02 0.13 -0.01 0.00 -0.00 0.00 0.00 28.75 28.89 1r3b h GLU 205 CO -0.00 1.12 -0.78 1.37 -0.00 0.00 0.00 179.01 180.72 1r3b h LEU 206 N -0.11 0.19 -0.11 3.06 8.10 -1.72 -2.51 115.31 122.21 1r3b h LEU 206 Ca -0.08 -0.14 -0.08 0.00 0.11 0.00 0.00 57.88 57.70 1r3b h LEU 206 Cb 1.34 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 41.51 1r3b h LEU 206 CO 0.12 0.89 -0.23 -0.29 -4.11 0.00 0.00 178.44 174.83 1r3b h ILE 207 N 0.09 1.39 -0.18 0.15 6.09 -1.20 -1.75 117.51 122.10 1r3b h ILE 207 Ca -0.03 -1.52 -0.01 0.00 -1.37 0.00 0.00 64.86 61.94 1r3b h ILE 207 Cb 1.37 2.11 -0.01 0.00 0.47 0.00 0.00 36.82 40.75 1r3b h ILE 207 CO 0.11 0.44 0.09 -0.33 -3.07 0.00 0.00 178.15 175.40 1r3b h GLU 208 N -0.09 0.26 0.27 2.19 5.08 -1.46 0.35 114.58 121.18 1r3b h GLU 208 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1r3b h GLU 208 Cb 0.82 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1r3b h GLU 208 CO 0.05 0.29 -0.13 0.87 -1.00 0.00 0.00 179.01 179.09 1r3b h LYS 209 N 0.18 -0.35 -0.80 2.33 1.57 -1.51 -2.92 116.57 115.07 1r3b h LYS 209 Ca 0.06 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1r3b h LYS 209 Cb 0.11 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1r3b h LYS 209 CO -0.01 -0.20 0.37 1.25 -0.57 0.00 0.00 179.45 180.29 1r3b h LEU 210 N -0.40 1.05 0.00 2.94 6.46 -1.27 -3.44 115.31 120.66 1r3b h LEU 210 Ca -0.04 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1r3b h LEU 210 Cb 0.30 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1r3b h LEU 210 CO 0.06 0.90 0.00 0.61 -0.62 0.00 0.00 178.44 179.39 1r3b n GLY 211 N -1.01 -2.94 3.02 3.75 0.00 0.12 -4.69 105.19 103.44 1r3b n GLY 211 Ca 0.08 -1.34 -0.02 0.00 0.00 0.00 0.00 46.02 44.74 1r3b n GLY 211 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r3b n SER 212 N -2.24 -7.84 -3.91 1.61 2.88 -1.26 -4.97 113.62 97.89 1r3b n SER 212 Ca 0.00 0.05 -0.30 0.00 -1.33 0.00 0.00 58.87 57.28 1r3b n SER 212 Cb 0.00 -5.33 -0.15 0.00 -0.75 0.00 0.00 64.21 57.98 1r3b n SER 212 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1r3b s LYS 213 N -2.93 1.31 0.47 -1.46 2.20 -1.26 -5.07 119.74 113.00 1r3b s LYS 213 Ca 0.05 -1.39 0.00 0.00 -0.36 0.00 0.00 55.97 54.27 1r3b s LYS 213 Cb -0.01 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.64 1r3b s LYS 213 CO 0.75 -0.86 0.00 -3.47 -0.36 0.00 0.00 175.35 171.42 1r3b n ASP 214 N 4.55 -8.55 -0.43 1.43 2.03 -1.26 -5.30 116.55 109.01 1r3b n ASP 214 Ca -0.02 0.99 0.05 0.00 0.52 0.00 0.00 54.79 56.33 1r3b n ASP 214 Cb 0.43 -4.59 0.05 0.00 -0.72 0.00 0.00 41.12 36.28 1r3b n ASP 214 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82