#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 3.24 3.39 -5.12 0.00 -1.26 -5.19 105.19 100.25 1r3b n GLY 15 Ca 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1r3b n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r3b s SER 16 N 0.00 -0.43 0.12 1.61 0.15 -1.26 -5.18 113.70 108.70 1r3b s SER 16 Ca 0.00 0.07 -0.18 0.00 0.70 0.00 0.00 55.95 56.54 1r3b s SER 16 Cb 0.00 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.86 1r3b s SER 16 CO 0.00 -0.79 0.45 -0.94 1.20 0.00 0.00 173.24 173.16 1r3b s SER 17 N -2.24 -0.32 -0.20 5.45 1.04 -1.26 -5.15 113.70 111.02 1r3b s SER 17 Ca -0.03 -0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.23 1r3b s SER 17 Cb -0.00 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.64 1r3b s SER 17 CO -0.05 -0.85 -0.18 -1.38 0.98 0.00 0.00 173.24 171.76 1r3b s HIS 18 N -3.56 2.85 0.56 5.02 -0.00 -1.26 -5.12 115.29 113.78 1r3b s HIS 18 Ca 0.01 -1.77 0.05 0.00 -0.00 0.00 0.00 55.06 53.35 1r3b s HIS 18 Cb 0.01 -1.90 0.05 0.00 -0.00 0.00 0.00 32.58 30.74 1r3b s HIS 18 CO -0.10 -0.82 0.42 -3.38 -0.00 0.00 0.00 174.74 170.86 1r3b s HIS 19 N 1.26 1.47 -0.16 0.38 0.00 -1.26 -5.12 115.29 111.86 1r3b s HIS 19 Ca 0.02 -0.89 -0.08 0.00 -3.00 0.00 0.00 55.06 51.11 1r3b s HIS 19 Cb -0.15 -1.89 -0.04 0.00 -4.00 0.00 0.00 32.58 26.50 1r3b s HIS 19 CO -0.11 -0.55 0.13 -1.01 -1.00 0.00 0.00 174.74 172.19 1r3b s HIS 20 N -2.81 3.48 0.28 0.38 0.09 -1.26 -5.09 115.29 110.37 1r3b s HIS 20 Ca 0.32 0.40 0.04 0.00 -0.00 0.00 0.00 55.06 55.83 1r3b s HIS 20 Cb -0.03 -2.04 -0.02 0.00 -0.00 0.00 0.00 32.58 30.50 1r3b s HIS 20 CO 0.21 0.50 0.29 1.58 -0.00 0.00 0.00 174.74 177.31 1r3b n HIS 21 N 2.76 -0.85 -3.75 1.40 -0.00 -1.26 -5.19 115.22 108.34 1r3b n HIS 21 Ca -0.18 -2.26 -0.09 0.00 -0.00 0.00 0.00 57.72 55.19 1r3b n HIS 21 Cb 0.53 0.31 -0.03 0.00 -0.00 0.00 0.00 29.99 30.81 1r3b n HIS 21 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1r3b s HIS 22 N -3.16 -0.19 0.19 1.57 -0.00 -1.26 -5.19 115.29 107.25 1r3b s HIS 22 Ca 0.31 -0.18 0.04 0.00 -0.00 0.00 0.00 55.06 55.23 1r3b s HIS 22 Cb 0.01 0.53 -0.01 0.00 -0.00 0.00 0.00 32.58 33.11 1r3b s HIS 22 CO 0.22 -1.04 0.17 0.72 -0.00 0.00 0.00 174.74 174.81 1r3b n HIS 23 N -0.40 -0.51 -3.98 0.38 -0.00 -1.26 -5.18 115.22 104.27 1r3b n HIS 23 Ca -0.08 -1.56 -0.25 0.00 -0.00 0.00 0.00 57.72 55.83 1r3b n HIS 23 Cb 0.62 0.18 -0.04 0.00 -0.00 0.00 0.00 29.99 30.75 1r3b n HIS 23 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1r3b s SER 24 N -2.31 4.59 0.26 0.41 1.04 -1.26 -5.15 113.70 111.29 1r3b s SER 24 Ca 0.22 -1.14 0.11 0.00 0.48 0.00 0.00 55.95 55.61 1r3b s SER 24 Cb 0.01 -0.03 -0.05 0.00 0.10 0.00 0.00 66.02 66.05 1r3b s SER 24 CO 0.16 -0.83 -0.17 -0.55 0.98 0.00 0.00 173.24 172.82 1r3b s SER 25 N -4.10 3.28 0.00 7.02 0.15 -1.26 -5.07 113.70 113.73 1r3b s SER 25 Ca 0.36 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.97 1r3b s SER 25 Cb -0.00 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 1r3b s SER 25 CO 0.21 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1r3b n GLY 26 N -0.56 -0.65 3.55 9.45 0.00 -1.26 -5.08 105.19 110.64 1r3b n GLY 26 Ca -0.06 0.48 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 1r3b n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3b s LEU 27 N 0.00 3.18 0.38 0.99 1.43 -1.26 -5.00 118.68 118.40 1r3b s LEU 27 Ca 0.00 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 52.40 1r3b s LEU 27 Cb 0.00 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.57 1r3b s LEU 27 CO 0.00 -1.86 1.13 0.68 0.23 0.00 0.00 176.35 176.53 1r3b s VAL 28 N 5.88 3.34 0.96 -1.59 -7.23 -1.26 -5.00 120.40 115.50 1r3b s VAL 28 Ca 0.37 1.13 -0.13 0.00 -1.81 0.00 0.00 61.98 61.54 1r3b s VAL 28 Cb -0.08 -3.64 0.07 0.00 0.56 0.00 0.00 36.38 33.29 1r3b s VAL 28 CO 0.15 0.11 0.52 -2.65 -0.31 0.00 0.00 175.10 172.92 1r3b n PRO 29 N 0.21 -0.45 -3.88 4.82 -0.02 -1.26 -4.98 135.00 129.44 1r3b n PRO 29 Ca 0.04 -0.09 -0.34 0.00 -2.02 0.00 0.00 63.50 61.09 1r3b n PRO 29 Cb 0.47 -1.95 -0.13 0.00 -0.02 0.00 0.00 33.50 31.87 1r3b n PRO 29 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1r3b s ARG 30 N -3.82 1.88 0.00 -0.52 6.06 -1.26 -5.10 118.95 116.19 1r3b s ARG 30 Ca 0.59 -1.77 0.00 0.00 -2.50 0.00 0.00 55.73 52.04 1r3b s ARG 30 Cb -0.21 -3.40 0.00 0.00 0.06 0.00 0.00 34.95 31.40 1r3b s ARG 30 CO 0.66 -0.97 0.00 0.41 -2.50 0.00 0.00 175.30 172.89 1r3b n GLY 31 N 4.48 -1.81 2.58 8.12 0.00 -1.26 -5.11 105.19 112.19 1r3b n GLY 31 Ca -0.02 -1.48 -0.19 0.00 0.00 0.00 0.00 46.02 44.33 1r3b n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r3b n SER 32 N -0.83 1.17 -4.42 1.61 7.64 -1.26 -5.17 113.62 112.35 1r3b n SER 32 Ca 0.00 -2.67 -0.27 0.00 1.01 0.00 0.00 58.87 56.94 1r3b n SER 32 Cb 0.00 0.79 -0.12 0.00 -1.01 0.00 0.00 64.21 63.87 1r3b n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r3b s ALA 33 N -2.85 2.51 0.08 -0.43 0.00 -1.26 -5.15 121.76 114.66 1r3b s ALA 33 Ca 0.16 -1.61 -0.08 0.00 0.00 0.00 0.00 51.96 50.43 1r3b s ALA 33 Cb 0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 1r3b s ALA 33 CO 0.11 0.45 0.17 0.99 0.00 0.00 0.00 175.76 177.48 1r3b s THR 34 N -1.57 0.15 0.04 0.00 2.01 -1.26 -5.17 115.64 109.83 1r3b s THR 34 Ca 0.20 -1.19 0.04 0.00 0.31 0.00 0.00 61.69 61.05 1r3b s THR 34 Cb -0.08 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 1r3b s THR 34 CO 0.09 -0.66 -0.08 -0.76 -0.69 0.00 0.00 174.62 172.53 1r3b s LEU 35 N -2.76 3.13 0.55 4.42 1.02 -1.26 -5.13 118.68 118.65 1r3b s LEU 35 Ca 0.04 -0.22 0.09 0.00 0.02 0.00 0.00 54.13 54.06 1r3b s LEU 35 Cb 0.04 -1.83 0.07 0.00 0.02 0.00 0.00 46.19 44.49 1r3b s LEU 35 CO -0.10 0.25 0.74 -0.83 0.02 0.00 0.00 176.35 176.43 1r3b s GLY 36 N -1.67 1.79 -0.30 -3.19 0.00 -1.26 -5.13 107.32 97.57 1r3b s GLY 36 Ca 0.19 -2.03 -0.09 0.00 0.00 0.00 0.00 44.72 42.78 1r3b s GLY 36 CO 0.10 -1.67 0.84 -1.35 0.00 0.00 0.00 173.10 171.02 1r3b s SER 37 N -4.59 -0.87 0.34 1.64 1.04 -1.26 -5.18 113.70 104.81 1r3b s SER 37 Ca 0.59 0.72 -0.16 0.00 0.48 0.00 0.00 55.95 57.58 1r3b s SER 37 Cb -0.06 1.80 0.03 0.00 0.10 0.00 0.00 66.02 67.89 1r3b s SER 37 CO 0.37 -0.16 0.71 -0.83 0.98 0.00 0.00 173.24 174.31 1r3b s GLY 38 N 2.82 0.33 0.73 7.32 0.00 -1.26 -5.17 107.32 112.09 1r3b s GLY 38 Ca 0.06 -0.69 -0.11 0.00 0.00 0.00 0.00 44.72 43.98 1r3b s GLY 38 CO -0.17 -0.33 1.07 0.21 0.00 0.00 0.00 173.10 173.89 1r3b s ASN 39 N -3.03 5.13 0.05 1.64 2.47 -1.26 -4.98 114.94 114.95 1r3b s ASN 39 Ca 0.16 1.49 -0.16 0.00 0.42 0.00 0.00 52.86 54.77 1r3b s ASN 39 Cb -0.05 -2.33 -0.24 0.00 -1.45 0.00 0.00 41.25 37.18 1r3b s ASN 39 CO 0.11 -1.58 1.14 0.25 -3.72 0.00 0.00 177.10 173.29 1r3b h LEU 40 N -0.82 0.78 -0.23 3.21 7.12 -2.02 -2.86 115.31 120.50 1r3b h LEU 40 Ca -0.45 -0.76 -0.01 0.00 0.13 0.00 0.00 57.88 56.79 1r3b h LEU 40 Cb 1.23 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.11 1r3b h LEU 40 CO 0.58 1.44 0.09 0.03 -0.13 0.00 0.00 178.44 180.45 1r3b h ARG 41 N 0.20 0.35 0.00 1.25 3.08 -1.95 -0.75 114.38 116.55 1r3b h ARG 41 Ca -0.12 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 1r3b h ARG 41 Cb 1.60 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.59 1r3b h ARG 41 CO 0.18 0.40 -0.21 -0.56 -1.07 0.00 0.00 179.97 178.71 1r3b h GLN 42 N 0.22 0.00 0.00 0.04 3.07 -1.77 0.85 115.11 117.52 1r3b h GLN 42 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.79 1r3b h GLN 42 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.74 1r3b h GLN 42 CO -0.01 0.21 -0.25 0.00 0.09 0.00 0.00 178.83 178.87 1r3b h ALA 43 N 1.79 0.87 0.00 0.06 0.00 -1.23 -3.33 119.26 117.42 1r3b h ALA 43 Ca -0.00 -0.12 -0.37 0.00 0.00 0.00 0.00 54.91 54.41 1r3b h ALA 43 Cb 0.39 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1r3b h ALA 43 CO 0.03 0.16 -2.39 0.28 0.00 0.00 0.00 179.25 177.33 1r3b n VAL 44 N -3.08 1.41 -4.05 0.00 0.31 -0.32 -4.89 118.33 107.71 1r3b n VAL 44 Ca 0.03 -0.82 -0.33 0.00 -0.01 0.00 0.00 64.34 63.20 1r3b n VAL 44 Cb 0.59 -0.59 -0.15 0.00 -0.91 0.00 0.00 33.84 32.78 1r3b n VAL 44 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1r3b s MET 45 N -2.49 2.75 -0.25 5.55 -2.45 0.29 -4.93 119.30 117.76 1r3b s MET 45 Ca -0.13 -1.01 -0.41 0.00 -1.25 0.00 0.00 55.69 52.90 1r3b s MET 45 Cb 0.06 -2.80 -0.16 0.00 1.25 0.00 0.00 34.83 33.18 1r3b s MET 45 CO 0.80 -0.36 1.67 -0.11 1.05 0.00 0.00 175.02 178.06 1r3b n LEU 46 N 4.59 2.12 -4.69 4.11 7.94 -1.26 -4.42 117.00 125.39 1r3b n LEU 46 Ca -0.18 1.09 -0.39 0.00 -1.11 0.00 0.00 56.01 55.43 1r3b n LEU 46 Cb 0.47 -1.11 0.04 0.00 0.53 0.00 0.00 43.42 43.35 1r3b n LEU 46 CO 0.25 -0.58 0.80 -0.81 -1.11 0.00 0.00 177.39 175.94 1r3b n PRO 47 N 4.80 1.43 -1.68 1.96 -0.04 -1.26 -4.87 135.00 135.34 1r3b n PRO 47 Ca 0.26 0.53 -0.42 0.00 -0.04 0.00 0.00 63.50 63.83 1r3b n PRO 47 Cb 0.11 -2.38 -0.03 0.00 -0.04 0.00 0.00 33.50 31.17 1r3b n PRO 47 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1r3b s GLU 48 N -2.69 4.14 0.00 0.54 2.12 -1.26 -3.26 118.70 118.29 1r3b s GLU 48 Ca 0.71 2.61 0.00 0.00 0.36 0.00 0.00 54.97 58.65 1r3b s GLU 48 Cb -0.44 -4.07 0.00 0.00 0.26 0.00 0.00 34.13 29.88 1r3b s GLU 48 CO 0.50 -0.94 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 1r3b n GLY 49 N 4.50 0.65 3.15 -1.50 0.00 -1.26 -5.13 105.19 105.60 1r3b n GLY 49 Ca 0.20 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.06 0.83 0.03 1.61 2.02 -1.20 -5.14 118.70 116.79 1r3b s GLU 50 Ca 0.00 -1.31 -0.26 0.00 0.02 0.00 0.00 54.97 53.41 1r3b s GLU 50 Cb 0.00 0.25 -0.05 0.00 0.10 0.00 0.00 34.13 34.43 1r3b s GLU 50 CO 0.00 -0.22 0.82 -0.51 0.02 0.00 0.00 175.26 175.37 1r3b s ASP 51 N -2.99 7.25 0.04 -0.19 1.11 -1.26 -4.99 116.67 115.64 1r3b s ASP 51 Ca 0.17 1.49 -0.29 0.00 0.18 0.00 0.00 52.55 54.09 1r3b s ASP 51 Cb 0.07 -2.49 -0.16 0.00 1.07 0.00 0.00 42.92 41.40 1r3b s ASP 51 CO -0.03 -0.06 1.34 0.25 1.18 0.00 0.00 175.17 177.85 1r3b h LEU 52 N 5.99 -0.90 -1.93 1.23 7.12 -2.00 -1.16 115.31 123.67 1r3b h LEU 52 Ca -0.43 0.03 0.38 0.00 0.13 0.00 0.00 57.88 57.99 1r3b h LEU 52 Cb 1.21 0.23 -0.06 0.00 -0.53 0.00 0.00 40.66 41.51 1r3b h LEU 52 CO 0.72 -0.60 0.93 0.78 -0.13 0.00 0.00 178.44 180.14 1r3b h ASN 53 N -1.15 0.05 -0.01 1.25 2.35 -2.00 0.41 115.58 116.47 1r3b h ASN 53 Ca -0.11 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.57 1r3b h ASN 53 Cb 0.81 0.01 0.01 0.00 0.05 0.00 0.00 38.32 39.20 1r3b h ASN 53 CO 0.18 -0.00 -0.31 -0.08 -1.65 0.00 0.00 177.43 175.57 1r3b h GLU 54 N 0.03 0.24 -0.38 0.81 4.81 -1.91 -3.02 114.58 115.17 1r3b h GLU 54 Ca 0.63 -0.24 0.08 0.00 -0.13 0.00 0.00 59.36 59.71 1r3b h GLU 54 Cb 2.45 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 31.82 1r3b h GLU 54 CO -0.05 0.94 -0.13 2.35 -0.73 0.00 0.00 179.01 181.39 1r3b h TRP 55 N -0.37 -0.29 -0.21 0.92 -0.00 0.11 0.45 115.95 116.56 1r3b h TRP 55 Ca -0.03 0.04 0.04 0.00 -0.00 0.00 0.00 58.89 58.94 1r3b h TRP 55 Cb 1.03 0.19 -0.04 0.00 -0.00 0.00 0.00 29.16 30.34 1r3b h TRP 55 CO 0.16 -0.20 -0.07 0.82 -0.00 0.00 0.00 178.44 179.15 1r3b h ILE 56 N -0.04 0.74 -0.38 2.65 2.04 -1.40 -1.26 117.51 119.86 1r3b h ILE 56 Ca 0.19 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.00 1r3b h ILE 56 Cb 0.33 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1r3b h ILE 56 CO -0.42 0.00 0.03 0.00 0.00 0.00 0.00 178.15 177.77 1r3b h ALA 57 N 1.16 1.34 -0.09 1.87 0.00 -1.21 -0.68 119.26 121.66 1r3b h ALA 57 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1r3b h ALA 57 Cb 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1r3b h ALA 57 CO -0.23 0.46 0.05 0.28 0.00 0.00 0.00 179.25 179.81 1r3b h VAL 58 N 0.57 1.02 0.00 0.00 2.07 0.90 -2.56 116.25 118.25 1r3b h VAL 58 Ca 0.12 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.49 1r3b h VAL 58 Cb 0.31 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1r3b h VAL 58 CO 0.01 0.02 -0.54 0.78 0.02 0.00 0.00 177.57 177.86 1r3b h ASN 59 N 0.11 0.00 0.41 0.57 2.35 -1.09 -3.02 115.58 114.91 1r3b h ASN 59 Ca 0.03 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1r3b h ASN 59 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1r3b h ASN 59 CO -0.01 0.54 -0.20 0.74 -1.65 0.00 0.00 177.43 176.85 1r3b h THR 60 N 0.00 0.60 -0.29 2.81 2.02 -0.85 0.68 112.91 117.87 1r3b h THR 60 Ca -0.01 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1r3b h THR 60 Cb 1.17 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1r3b h THR 60 CO 0.07 0.02 0.07 0.58 0.37 0.00 0.00 175.52 176.63 1r3b h VAL 61 N -0.62 1.14 0.04 3.16 2.07 -1.54 0.45 116.25 120.96 1r3b h VAL 61 Ca -0.06 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1r3b h VAL 61 Cb 0.46 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1r3b h VAL 61 CO 0.09 0.18 -0.02 0.44 0.02 0.00 0.00 177.57 178.28 1r3b h ASP 62 N 0.42 -0.05 0.08 0.57 3.32 -1.34 -2.24 116.42 117.18 1r3b h ASP 62 Ca 0.10 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1r3b h ASP 62 Cb 0.17 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1r3b h ASP 62 CO -0.00 0.44 -0.07 -0.26 -1.72 0.00 0.00 179.24 177.63 1r3b h PHE 63 N -0.55 -0.18 -0.97 4.55 -1.00 0.61 0.86 116.94 120.25 1r3b h PHE 63 Ca -0.01 0.00 0.13 0.00 2.81 0.00 0.00 57.97 60.91 1r3b h PHE 63 Cb 0.50 0.07 -0.09 0.00 3.61 0.00 0.00 35.95 40.04 1r3b h PHE 63 CO 0.09 -0.11 0.60 0.35 -1.61 0.00 0.00 178.31 177.62 1r3b h PHE 64 N -0.17 1.08 0.11 -0.55 3.04 -0.98 -1.00 116.94 118.47 1r3b h PHE 64 Ca 0.00 0.03 -0.22 0.00 3.98 0.00 0.00 57.97 61.76 1r3b h PHE 64 Cb 0.16 -0.33 0.02 0.00 2.56 0.00 0.00 35.95 38.36 1r3b h PHE 64 CO -0.10 0.38 -0.94 -0.97 -2.02 0.00 0.00 178.31 174.67 1r3b h ASN 65 N 0.91 0.64 -0.84 0.41 -1.24 -0.88 -3.04 115.58 111.54 1r3b h ASN 65 Ca 0.50 -0.86 0.09 0.00 0.71 0.00 0.00 56.30 56.74 1r3b h ASN 65 Cb 0.56 -0.20 -0.07 0.00 0.73 0.00 0.00 38.32 39.34 1r3b h ASN 65 CO -0.29 1.44 0.49 -0.61 -1.29 0.00 0.00 177.43 177.17 1r3b h GLN 66 N -0.07 0.81 -0.27 6.67 4.15 0.13 0.44 115.11 126.97 1r3b h GLN 66 Ca -0.15 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.11 1r3b h GLN 66 Cb 1.68 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 29.18 1r3b h GLN 66 CO 0.18 0.54 -0.29 0.82 -1.93 0.00 0.00 178.83 178.15 1r3b h ILE 67 N 0.84 1.31 -0.08 2.39 2.04 -1.30 -2.28 117.51 120.42 1r3b h ILE 67 Ca 0.39 -1.46 -0.11 0.00 1.00 0.00 0.00 64.86 64.68 1r3b h ILE 67 Cb 0.32 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1r3b h ILE 67 CO -0.23 0.47 -0.45 -1.13 0.00 0.00 0.00 178.15 176.80 1r3b h ASN 68 N 0.42 0.21 -0.34 1.72 -1.24 -1.30 -0.65 115.58 114.40 1r3b h ASN 68 Ca 0.04 -0.10 -0.15 0.00 0.71 0.00 0.00 56.30 56.80 1r3b h ASN 68 Cb 0.86 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.85 1r3b h ASN 68 CO 0.07 0.64 -0.39 0.24 -1.29 0.00 0.00 177.43 176.70 1r3b h MET 69 N 0.17 0.86 -0.04 6.67 2.86 -0.09 0.01 114.93 125.37 1r3b h MET 69 Ca 0.01 -0.48 -0.07 0.00 -2.06 0.00 0.00 59.70 57.10 1r3b h MET 69 Cb 0.87 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1r3b h MET 69 CO 0.07 1.12 -0.25 -0.07 1.06 0.00 0.00 176.91 178.84 1r3b h LEU 70 N 0.66 0.30 -1.74 1.22 3.38 -1.32 -3.14 115.31 114.67 1r3b h LEU 70 Ca 0.05 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.32 1r3b h LEU 70 Cb 0.98 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1r3b h LEU 70 CO 0.09 0.92 -0.13 0.22 0.09 0.00 0.00 178.44 179.63 1r3b h TYR 71 N -0.30 0.00 0.00 1.13 5.03 -1.17 -2.40 116.97 119.26 1r3b h TYR 71 Ca -0.02 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.23 1r3b h TYR 71 Cb 0.92 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.19 1r3b h TYR 71 CO 0.14 0.13 -0.29 0.78 -1.32 0.00 0.00 178.16 177.60 1r3b h GLY 72 N 1.20 0.00 1.94 1.82 0.00 -0.94 0.94 103.07 108.03 1r3b h GLY 72 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r3b h GLY 72 CO 0.02 0.00 -0.05 -0.91 0.00 0.00 0.00 176.54 175.59 1r3b h THR 73 N 0.00 0.00 0.00 4.70 1.35 -1.45 -3.33 112.91 114.18 1r3b h THR 73 Ca -0.00 -0.89 -0.24 0.00 -0.55 0.00 0.00 66.41 64.73 1r3b h THR 73 Cb 0.53 1.87 -0.04 0.00 -1.73 0.00 0.00 68.15 68.77 1r3b h THR 73 CO 0.04 0.00 -1.96 0.00 -0.25 0.00 0.00 175.52 173.34 1r3b n ILE 74 N -2.91 0.89 -0.34 6.82 0.00 -0.88 -4.54 119.36 118.41 1r3b n ILE 74 Ca 0.04 -0.59 0.16 0.00 0.00 0.00 0.00 62.75 62.37 1r3b n ILE 74 Cb 0.51 -0.54 0.38 0.00 0.00 0.00 0.00 39.64 39.99 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 0.00 0.62 -0.13 9.51 1.03 0.78 0.24 112.91 124.97 1r3b h THR 75 Ca -0.35 -0.22 0.04 0.00 -0.01 0.00 0.00 66.41 65.87 1r3b h THR 75 Cb 1.77 -0.07 -0.01 0.00 -1.07 0.00 0.00 68.15 68.78 1r3b h THR 75 CO 0.02 0.12 0.29 1.05 -0.01 0.00 0.00 175.52 176.99 1r3b h GLU 76 N 0.63 0.00 0.00 0.00 4.11 -1.80 0.12 114.58 117.65 1r3b h GLU 76 Ca 0.60 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.88 1r3b h GLU 76 Cb 1.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1r3b h GLU 76 CO -0.39 0.00 -1.32 0.74 0.07 0.00 0.00 179.01 178.11 1r3b h PHE 77 N 0.00 0.00 -1.33 2.06 0.04 -0.81 -3.45 116.94 113.45 1r3b h PHE 77 Ca 0.06 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.32 1r3b h PHE 77 Cb 0.64 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.78 1r3b h PHE 77 CO 0.00 0.50 1.61 0.00 -0.60 0.00 0.00 178.31 179.82 1r3b n THR 79 N 7.79 0.00 -4.40 0.00 -1.04 -1.26 -5.00 114.28 110.37 1r3b n THR 79 Ca 0.41 -0.91 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1r3b n THR 79 Cb 0.41 0.50 0.00 0.00 -1.82 0.00 0.00 70.33 69.42 1r3b n THR 79 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1r3b n GLU 80 N -0.26 0.00 0.33 -2.82 4.07 -1.26 -3.44 120.64 117.26 1r3b n GLU 80 Ca 0.02 0.00 0.18 0.00 -0.06 0.00 0.00 57.16 57.30 1r3b n GLU 80 Cb 0.26 0.00 0.96 0.00 -0.06 0.00 0.00 31.44 32.60 1r3b n GLU 80 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1r3b h SER 81 N 0.00 0.00 -0.47 4.31 4.64 -2.00 -3.43 113.55 116.60 1r3b h SER 81 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1r3b h SER 81 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1r3b h SER 81 CO 0.00 0.00 1.45 0.35 -0.87 0.00 0.00 176.83 177.76 1r3b n THR 82 N -2.99 0.06 1.44 2.95 -2.24 -1.22 -4.76 114.28 107.51 1r3b n THR 82 Ca -0.02 -0.14 0.14 0.00 -2.27 0.00 0.00 64.05 61.76 1r3b n THR 82 Cb 0.27 -1.04 0.74 0.00 -2.10 0.00 0.00 70.33 68.20 1r3b n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r3b n SER 84 N -1.20 0.00 -3.30 0.00 2.88 -1.26 -4.36 113.62 106.38 1r3b n SER 84 Ca 0.16 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1r3b n SER 84 Cb 0.18 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.58 1r3b n SER 84 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1r3b s VAL 85 N 0.00 -0.66 0.13 2.46 0.11 -1.26 -4.88 120.40 116.30 1r3b s VAL 85 Ca 0.00 -0.21 0.05 0.00 -2.93 0.00 0.00 61.98 58.89 1r3b s VAL 85 Cb 0.00 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1r3b s VAL 85 CO 0.00 -0.22 -0.12 -0.04 -3.33 0.00 0.00 175.10 171.40 1r3b s MET 86 N 2.57 1.00 -0.23 1.54 1.00 -1.26 -5.03 119.30 118.90 1r3b s MET 86 Ca 0.11 -1.31 -0.08 0.00 0.00 0.00 0.00 55.69 54.40 1r3b s MET 86 Cb -0.13 -0.71 -0.04 0.00 0.00 0.00 0.00 34.83 33.95 1r3b s MET 86 CO -0.26 0.11 0.10 0.45 0.00 0.00 0.00 175.02 175.42 1r3b s SER 87 N -2.76 5.63 -0.27 3.03 0.15 -1.26 -4.87 113.70 113.36 1r3b s SER 87 Ca 0.11 -0.01 -0.06 0.00 0.70 0.00 0.00 55.95 56.70 1r3b s SER 87 Cb -0.01 -2.00 0.14 0.00 -1.71 0.00 0.00 66.02 62.44 1r3b s SER 87 CO 0.01 0.06 0.54 0.00 1.20 0.00 0.00 173.24 175.06 1r3b s ALA 88 N 1.04 -1.75 0.12 5.45 0.00 -1.26 -5.12 121.76 120.24 1r3b s ALA 88 Ca 0.05 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1r3b s ALA 88 Cb -0.14 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.21 1r3b s ALA 88 CO 0.04 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1r3b n GLY 89 N 5.42 -2.89 3.56 0.00 0.00 -1.26 -4.68 105.19 105.33 1r3b n GLY 89 Ca -0.07 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 1r3b n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r3b s PRO 90 N -3.70 2.58 0.10 1.61 0.04 -1.26 -3.97 135.00 130.42 1r3b s PRO 90 Ca 0.00 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1r3b s PRO 90 Cb 0.00 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 29.71 1r3b s PRO 90 CO 0.00 -3.15 0.00 0.54 0.04 0.00 0.00 177.00 174.43 1r3b n ARG 91 N 8.97 0.00 -4.39 4.56 1.74 -1.26 -5.15 116.66 121.13 1r3b n ARG 91 Ca 0.33 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.15 1r3b n ARG 91 Cb 0.49 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.82 1r3b n ARG 91 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1r3b s TYR 92 N -2.00 2.39 0.04 -1.55 2.02 -1.25 -5.15 117.35 111.85 1r3b s TYR 92 Ca 0.00 -0.32 -0.15 0.00 -0.37 0.00 0.00 57.07 56.23 1r3b s TYR 92 Cb 0.00 -1.16 0.03 0.00 -0.40 0.00 0.00 41.96 40.43 1r3b s TYR 92 CO 0.00 0.54 0.34 -2.00 -1.57 0.00 0.00 175.55 172.86 1r3b s GLU 93 N -2.85 0.84 0.48 -0.62 2.12 -1.26 -4.54 118.70 112.87 1r3b s GLU 93 Ca 0.23 -0.43 0.07 0.00 0.36 0.00 0.00 54.97 55.21 1r3b s GLU 93 Cb -0.08 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.69 1r3b s GLU 93 CO 0.12 -0.27 0.39 1.52 -0.54 0.00 0.00 175.26 176.48 1r3b s TYR 94 N -2.41 2.18 -0.10 5.30 -0.85 -1.26 -5.05 117.35 115.16 1r3b s TYR 94 Ca -0.06 -0.66 -0.03 0.00 -0.52 0.00 0.00 57.07 55.80 1r3b s TYR 94 Cb -0.01 -2.05 0.05 0.00 0.38 0.00 0.00 41.96 40.33 1r3b s TYR 94 CO -0.02 -0.30 0.10 -1.01 -1.52 0.00 0.00 175.55 172.80 1r3b s HIS 95 N -2.62 0.03 0.44 -3.49 3.76 -1.26 -5.08 115.29 107.07 1r3b s HIS 95 Ca 0.43 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.50 1r3b s HIS 95 Cb -0.02 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.18 1r3b s HIS 95 CO 0.25 -0.33 0.00 0.91 -0.85 0.00 0.00 174.74 174.73 1r3b n TRP 96 N 5.30 -4.02 -2.10 1.40 8.01 -1.26 -4.79 117.44 119.98 1r3b n TRP 96 Ca -0.05 2.13 -0.05 0.00 -1.31 0.00 0.00 57.50 58.23 1r3b n TRP 96 Cb 0.50 -3.31 -0.05 0.00 -2.01 0.00 0.00 31.31 26.44 1r3b n TRP 96 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1r3b n ALA 97 N -0.62 3.46 -3.61 6.99 0.00 -1.26 -4.53 120.51 120.94 1r3b n ALA 97 Ca 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 53.44 52.40 1r3b n ALA 97 Cb 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 1r3b n ALA 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1r3b s ASP 98 N -1.18 -0.10 0.10 0.00 1.01 -1.26 -4.97 116.67 110.27 1r3b s ASP 98 Ca 0.07 0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.34 1r3b s ASP 98 Cb 0.08 0.10 -0.00 0.00 1.01 0.00 0.00 42.92 44.10 1r3b s ASP 98 CO -0.03 -0.15 0.01 0.61 0.21 0.00 0.00 175.17 175.81 1r3b n GLY 99 N 0.02 4.04 3.59 0.21 0.00 -1.26 -4.67 105.19 107.12 1r3b n GLY 99 Ca 0.02 -2.18 -0.24 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.24 -2.97 -1.99 2.61 -1.04 -1.26 -1.29 114.28 108.10 1r3b n THR 100 Ca -0.04 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.77 1r3b n THR 100 Cb 0.13 -3.98 -0.05 0.00 -1.82 0.00 0.00 70.33 64.60 1r3b n THR 100 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1r3b n ASN 101 N -3.01 -5.73 0.00 8.00 3.02 -1.26 -4.01 115.26 112.28 1r3b n ASN 101 Ca 0.01 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1r3b n ASN 101 Cb 0.56 -4.91 0.00 0.00 -0.61 0.00 0.00 39.78 34.83 1r3b n ASN 101 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1r3b n ILE 102 N -3.19 0.00 0.00 2.41 2.08 -0.41 -4.83 119.36 115.43 1r3b n ILE 102 Ca -0.23 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.08 1r3b n ILE 102 Cb 0.69 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.58 1r3b n ILE 102 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1r3b n LYS 103 N 0.00 0.00 -4.37 0.38 4.01 -1.26 -4.63 118.16 112.29 1r3b n LYS 103 Ca 0.00 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.51 1r3b n LYS 103 Cb 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.40 1r3b n LYS 103 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1r3b s LYS 104 N 0.00 1.53 0.19 1.97 1.02 -1.26 -5.12 119.74 118.07 1r3b s LYS 104 Ca 0.00 -1.35 -0.30 0.00 0.02 0.00 0.00 55.97 54.34 1r3b s LYS 104 Cb 0.00 -1.94 -0.08 0.00 -0.52 0.00 0.00 37.83 35.28 1r3b s LYS 104 CO 0.00 0.44 1.24 -1.25 -0.92 0.00 0.00 175.35 174.86 1r3b s PRO 105 N -2.25 4.45 0.14 -1.68 0.04 -1.26 -5.04 135.00 129.40 1r3b s PRO 105 Ca 0.17 1.94 0.09 0.00 0.04 0.00 0.00 61.00 63.23 1r3b s PRO 105 Cb -0.10 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1r3b s PRO 105 CO 0.08 -0.15 -0.20 0.42 0.04 0.00 0.00 177.00 177.18 1r3b s ILE 106 N 0.05 1.87 -0.18 0.56 1.01 -1.26 -5.10 121.20 118.15 1r3b s ILE 106 Ca 0.54 -1.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.11 1r3b s ILE 106 Cb -0.34 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 1r3b s ILE 106 CO 0.37 -0.18 1.44 -0.54 0.00 0.00 0.00 174.94 176.04 1r3b s LYS 107 N -2.42 4.05 -0.26 2.79 -0.14 -1.26 -4.99 119.74 117.51 1r3b s LYS 107 Ca 0.13 1.70 -0.06 0.00 -1.36 0.00 0.00 55.97 56.38 1r3b s LYS 107 Cb -0.08 -3.90 -0.01 0.00 -1.68 0.00 0.00 37.83 32.16 1r3b s LYS 107 CO 0.06 -0.96 0.05 0.00 -0.76 0.00 0.00 175.35 173.74 1r3b n SER 109 N 4.87 0.95 0.38 0.00 2.88 -1.26 -4.85 113.62 116.59 1r3b n SER 109 Ca -0.16 -1.57 -0.15 0.00 -1.33 0.00 0.00 58.87 55.66 1r3b n SER 109 Cb 0.50 -0.12 -0.07 0.00 -0.75 0.00 0.00 64.21 63.77 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 0.45 -1.20 0.00 -1.46 0.00 -1.93 0.36 119.26 115.49 1r3b h ALA 110 Ca -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1r3b h ALA 110 Cb 0.44 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1r3b h ALA 110 CO 0.15 -1.13 -0.03 -1.00 0.00 0.00 0.00 179.25 177.24 1r3b h PRO 111 N -1.02 0.00 0.21 0.00 0.13 -1.94 -2.49 132.00 126.89 1r3b h PRO 111 Ca -0.10 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.70 1r3b h PRO 111 Cb 0.74 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.89 1r3b h PRO 111 CO 0.16 0.03 -1.54 0.87 -0.23 0.00 0.00 178.00 177.29 1r3b h LYS 112 N 0.00 0.44 -0.97 0.86 1.79 -1.90 -3.26 116.57 113.51 1r3b h LYS 112 Ca -0.00 -0.75 0.02 0.00 -2.18 0.00 0.00 60.65 57.74 1r3b h LYS 112 Cb 0.20 0.28 -0.05 0.00 -1.58 0.00 0.00 32.23 31.08 1r3b h LYS 112 CO 0.00 1.35 0.64 -0.92 -1.08 0.00 0.00 179.45 179.44 1r3b h TYR 113 N 0.12 1.21 0.53 -1.35 5.03 0.19 -0.95 116.97 121.75 1r3b h TYR 113 Ca -0.27 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.05 1r3b h TYR 113 Cb 2.11 -0.41 0.01 0.00 1.55 0.00 0.00 36.73 39.99 1r3b h TYR 113 CO 0.11 0.74 -0.26 0.82 -1.32 0.00 0.00 178.16 178.25 1r3b h ILE 114 N 1.28 0.48 -0.55 1.81 2.04 -1.64 0.13 117.51 121.07 1r3b h ILE 114 Ca 0.37 -0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.33 1r3b h ILE 114 Cb -0.09 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1r3b h ILE 114 CO -0.09 0.00 0.37 -0.78 0.00 0.00 0.00 178.15 177.65 1r3b h ASP 115 N -0.72 0.29 0.07 1.72 1.82 -1.54 0.96 116.42 119.03 1r3b h ASP 115 Ca -0.07 0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.41 1r3b h ASP 115 Cb 0.55 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 1r3b h ASP 115 CO 0.12 0.18 -0.58 1.88 -1.61 0.00 0.00 179.24 179.23 1r3b h TYR 116 N 0.33 0.66 -0.01 0.28 0.05 -0.57 -1.42 116.97 116.29 1r3b h TYR 116 Ca 0.25 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1r3b h TYR 116 Cb 0.57 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 1r3b h TYR 116 CO -0.00 0.98 -0.01 1.25 -1.05 0.00 0.00 178.16 179.33 1r3b h LEU 117 N 0.40 0.02 -1.48 3.88 5.85 0.13 -2.98 115.31 121.13 1r3b h LEU 117 Ca 0.00 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1r3b h LEU 117 Cb 1.13 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1r3b h LEU 117 CO 0.11 0.54 0.00 0.24 -0.34 0.00 0.00 178.44 178.99 1r3b h MET 118 N -0.51 0.00 0.38 1.25 2.86 -0.95 -3.09 114.93 114.88 1r3b h MET 118 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1r3b h MET 118 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1r3b h MET 118 CO 0.00 0.00 -0.18 1.15 1.06 0.00 0.00 176.91 178.94 1r3b h THR 119 N 0.00 0.38 -0.99 2.22 2.02 -1.10 -1.91 112.91 113.53 1r3b h THR 119 Ca 0.00 -0.66 0.09 0.00 0.77 0.00 0.00 66.41 66.61 1r3b h THR 119 Cb 0.28 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 67.21 1r3b h THR 119 CO 0.00 0.08 0.63 -0.25 0.37 0.00 0.00 175.52 176.35 1r3b h TRP 120 N -1.00 1.16 -0.04 3.16 7.01 -1.45 -0.59 115.95 124.19 1r3b h TRP 120 Ca -0.05 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.82 1r3b h TRP 120 Cb 0.53 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1r3b h TRP 120 CO 0.03 0.54 -0.66 -0.39 -2.79 0.00 0.00 178.44 175.16 1r3b h VAL 121 N 1.08 1.42 0.00 2.65 -1.51 -1.62 -3.04 116.25 115.23 1r3b h VAL 121 Ca 0.46 -2.14 -0.04 0.00 -1.23 0.00 0.00 66.70 63.74 1r3b h VAL 121 Cb 0.31 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 1r3b h VAL 121 CO -0.21 0.63 -0.20 0.06 -1.23 0.00 0.00 177.57 176.61 1r3b h GLN 122 N 0.14 0.00 -0.91 5.19 3.07 -0.48 -3.24 115.11 118.87 1r3b h GLN 122 Ca -0.01 0.00 0.19 0.00 0.09 0.00 0.00 58.65 58.91 1r3b h GLN 122 Cb 1.19 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 28.64 1r3b h GLN 122 CO 0.10 0.20 0.48 0.22 0.09 0.00 0.00 178.83 179.92 1r3b h ASP 123 N 0.00 0.54 0.01 0.06 3.58 -1.02 0.94 116.42 120.53 1r3b h ASP 123 Ca -0.00 0.12 -0.16 0.00 0.42 0.00 0.00 57.03 57.40 1r3b h ASP 123 Cb 0.96 0.04 0.01 0.00 1.72 0.00 0.00 39.33 42.06 1r3b h ASP 123 CO 0.03 0.16 -0.63 1.56 -2.88 0.00 0.00 179.24 177.47 1r3b h GLN 124 N 0.58 0.41 0.00 0.28 7.50 -1.72 0.65 115.11 122.81 1r3b h GLN 124 Ca 0.53 -0.45 0.00 0.00 0.50 0.00 0.00 58.65 59.23 1r3b h GLN 124 Cb 0.88 0.13 0.00 0.00 0.05 0.00 0.00 27.48 28.54 1r3b h GLN 124 CO -0.43 1.12 0.00 -0.07 -1.50 0.00 0.00 178.83 177.95 1r3b h LEU 125 N -0.11 0.00 -0.91 1.46 3.38 -1.19 0.12 115.31 118.06 1r3b h LEU 125 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1r3b h LEU 125 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1r3b h LEU 125 CO 0.12 0.00 -0.36 -0.67 0.09 0.00 0.00 178.44 177.63 1r3b n ASP 126 N -3.04 1.70 -3.91 -0.43 -0.08 0.31 -4.76 116.55 106.34 1r3b n ASP 126 Ca -0.03 -1.35 -0.30 0.00 -1.51 0.00 0.00 54.79 51.61 1r3b n ASP 126 Cb 0.09 0.47 -0.14 0.00 2.34 0.00 0.00 41.12 43.88 1r3b n ASP 126 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1r3b s ASP 127 N -1.99 4.22 0.33 1.67 1.11 0.42 -4.94 116.67 117.50 1r3b s ASP 127 Ca 0.14 -2.91 0.22 0.00 0.18 0.00 0.00 52.55 50.19 1r3b s ASP 127 Cb 0.14 -1.54 1.21 0.00 1.07 0.00 0.00 42.92 43.80 1r3b s ASP 127 CO 0.43 -0.24 1.69 -1.84 1.18 0.00 0.00 175.17 176.39 1r3b n GLU 128 N 3.23 0.15 0.00 8.23 0.28 -1.26 -2.54 120.64 128.73 1r3b n GLU 128 Ca 0.05 0.64 0.23 0.00 -0.16 0.00 0.00 57.16 57.92 1r3b n GLU 128 Cb 0.33 -1.97 0.69 0.00 1.43 0.00 0.00 31.44 31.92 1r3b n GLU 128 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1r3b h THR 129 N 0.00 0.31 -0.36 3.84 1.35 -1.81 0.84 112.91 117.08 1r3b h THR 129 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1r3b h THR 129 Cb 0.02 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1r3b h THR 129 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1r3b n LEU 130 N -3.67 3.64 -4.68 3.87 -0.00 -1.05 -2.99 117.00 112.11 1r3b n LEU 130 Ca 0.12 -2.50 -0.25 0.00 -0.00 0.00 0.00 56.01 53.38 1r3b n LEU 130 Cb 0.83 -0.42 -0.08 0.00 -0.00 0.00 0.00 43.42 43.75 1r3b n LEU 130 CO 0.28 0.72 -0.23 -0.36 -0.00 0.00 0.00 177.39 177.79 1r3b s PHE 131 N -1.90 2.59 0.53 1.47 0.40 0.29 -4.86 117.98 116.50 1r3b s PHE 131 Ca 0.36 -0.50 0.46 0.00 -0.60 0.00 0.00 56.93 56.65 1r3b s PHE 131 Cb 0.25 -1.70 1.69 0.00 0.51 0.00 0.00 43.02 43.76 1r3b s PHE 131 CO 0.14 0.35 1.58 -1.35 0.70 0.00 0.00 175.22 176.64 1r3b h PRO 132 N 1.63 0.00 -5.96 0.24 0.11 -1.93 -3.37 132.00 122.72 1r3b h PRO 132 Ca -0.43 -0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.11 1r3b h PRO 132 Cb 1.25 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 1r3b h PRO 132 CO 0.69 0.00 0.17 -1.12 -0.21 0.00 0.00 178.00 177.52 1r3b s SER 133 N -3.99 6.94 0.03 -2.05 0.01 -1.26 -4.71 113.70 108.66 1r3b s SER 133 Ca -0.06 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1r3b s SER 133 Cb 0.28 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1r3b s SER 133 CO 0.88 -0.21 0.00 1.17 0.41 0.00 0.00 173.24 175.49 1r3b n LYS 134 N 4.31 -2.91 -2.35 12.44 3.00 -1.26 -4.22 118.16 127.17 1r3b n LYS 134 Ca 0.00 2.33 -0.40 0.00 -0.00 0.00 0.00 58.31 60.24 1r3b n LYS 134 Cb 0.50 -2.77 -0.03 0.00 0.00 0.00 0.00 35.03 32.74 1r3b n LYS 134 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1r3b s ILE 135 N -0.32 3.24 0.00 3.15 1.10 -1.26 -4.54 121.20 122.56 1r3b s ILE 135 Ca 0.00 1.20 0.00 0.00 -0.51 0.00 0.00 60.65 61.34 1r3b s ILE 135 Cb 0.00 -3.74 0.00 0.00 0.15 0.00 0.00 42.46 38.87 1r3b s ILE 135 CO 0.00 0.25 0.00 0.61 -2.11 0.00 0.00 174.94 173.69 1r3b n GLY 136 N 0.95 -2.23 3.76 1.50 0.00 -1.23 -5.01 105.19 102.93 1r3b n GLY 136 Ca 0.00 0.71 -0.40 0.00 0.00 0.00 0.00 46.02 46.34 1r3b n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r3b s VAL 137 N -0.41 4.30 -0.11 1.61 1.01 -1.16 -5.00 120.40 120.64 1r3b s VAL 137 Ca 0.00 1.90 -0.29 0.00 0.00 0.00 0.00 61.98 63.59 1r3b s VAL 137 Cb 0.00 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1r3b s VAL 137 CO 0.00 0.47 1.67 -2.16 0.00 0.00 0.00 175.10 175.08 1r3b s PRO 138 N -0.89 4.03 0.00 2.72 0.04 -1.26 -4.90 135.00 134.74 1r3b s PRO 138 Ca 0.40 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 63.23 1r3b s PRO 138 Cb -0.24 -4.02 -0.15 0.00 0.04 0.00 0.00 34.50 30.13 1r3b s PRO 138 CO 0.29 -1.03 1.09 0.35 0.04 0.00 0.00 177.00 177.74 1r3b h PHE 139 N 10.12 -0.60 0.00 0.56 3.04 -1.94 -0.49 116.94 127.63 1r3b h PHE 139 Ca -0.38 -0.01 -0.41 0.00 3.98 0.00 0.00 57.97 61.15 1r3b h PHE 139 Cb 1.17 0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.86 1r3b h PHE 139 CO 0.90 -0.28 1.61 -0.35 -2.02 0.00 0.00 178.31 178.16 1r3b n PRO 140 N -5.24 2.76 0.02 6.41 -0.04 -1.26 -2.29 135.00 135.36 1r3b n PRO 140 Ca -0.10 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 1r3b n PRO 140 Cb 0.30 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 1r3b n PRO 140 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1r3b n LYS 141 N 3.02 0.00 -0.09 0.54 3.00 -1.24 -4.97 118.16 118.42 1r3b n LYS 141 Ca 0.59 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.72 1r3b n LYS 141 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.51 1r3b n LYS 141 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1r3b h ASN 142 N 0.00 0.00 -0.83 3.14 -0.73 -1.27 -3.23 115.58 112.66 1r3b h ASN 142 Ca 0.00 -0.60 0.08 0.00 1.87 0.00 0.00 56.30 57.66 1r3b h ASN 142 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 38.53 1r3b h ASN 142 CO 0.00 1.28 0.54 0.15 -0.37 0.00 0.00 177.43 179.03 1r3b h PHE 143 N -1.00 0.88 0.29 0.67 3.04 -1.13 0.92 116.94 120.60 1r3b h PHE 143 Ca -0.22 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.74 1r3b h PHE 143 Cb 1.14 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.36 1r3b h PHE 143 CO 0.13 0.43 -0.14 1.98 -2.02 0.00 0.00 178.31 178.69 1r3b h MET 144 N 0.84 -0.37 -0.49 1.11 4.05 -1.62 0.94 114.93 119.39 1r3b h MET 144 Ca 0.37 0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.69 1r3b h MET 144 Cb 0.35 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1r3b h MET 144 CO -0.14 -0.12 -0.20 1.03 0.23 0.00 0.00 176.91 177.70 1r3b h SER 145 N -0.58 1.01 0.13 1.39 0.87 -1.47 -2.80 113.55 112.10 1r3b h SER 145 Ca -0.04 -0.38 -0.12 0.00 -1.23 0.00 0.00 61.79 60.02 1r3b h SER 145 Cb 0.42 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1r3b h SER 145 CO 0.06 1.17 -0.43 0.58 -0.53 0.00 0.00 176.83 177.68 1r3b h VAL 146 N 0.85 1.31 -0.82 2.23 2.07 0.91 -2.95 116.25 119.86 1r3b h VAL 146 Ca 0.11 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 1r3b h VAL 146 Cb 0.78 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 1r3b h VAL 146 CO 0.06 0.49 0.40 0.00 0.02 0.00 0.00 177.57 178.54 1r3b h ALA 147 N 1.23 1.05 0.00 1.67 0.00 0.11 -2.11 119.26 121.22 1r3b h ALA 147 Ca 0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1r3b h ALA 147 Cb 0.89 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1r3b h ALA 147 CO 0.07 0.62 -0.35 -0.22 0.00 0.00 0.00 179.25 179.37 1r3b h LYS 148 N 1.16 0.00 -0.12 0.00 3.11 -1.38 -3.00 116.57 116.34 1r3b h LYS 148 Ca 0.28 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.12 1r3b h LYS 148 Cb 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.34 1r3b h LYS 148 CO -0.04 0.35 0.08 1.15 -2.81 0.00 0.00 179.45 178.19 1r3b h THR 149 N 0.00 1.03 0.06 1.00 2.02 -1.21 -0.10 112.91 115.71 1r3b h THR 149 Ca -0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1r3b h THR 149 Cb 0.67 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1r3b h THR 149 CO 0.05 0.03 -0.03 0.40 0.37 0.00 0.00 175.52 176.34 1r3b h ILE 150 N 0.16 1.00 -0.69 3.11 2.04 -1.43 0.21 117.51 121.92 1r3b h ILE 150 Ca 0.05 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 65.76 1r3b h ILE 150 Cb -0.02 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1r3b h ILE 150 CO -0.01 0.05 0.39 -0.07 0.00 0.00 0.00 178.15 178.51 1r3b h LEU 151 N -0.17 0.59 -0.19 1.44 4.07 -1.42 1.09 115.31 120.72 1r3b h LEU 151 Ca -0.01 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 1r3b h LEU 151 Cb 0.15 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1r3b h LEU 151 CO 0.01 0.38 -0.03 0.50 -1.08 0.00 0.00 178.44 178.22 1r3b h LYS 152 N 0.72 0.36 0.00 1.13 3.64 -0.86 -1.93 116.57 119.63 1r3b h LYS 152 Ca 0.31 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.44 1r3b h LYS 152 Cb 0.18 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1r3b h LYS 152 CO -0.18 0.60 -0.55 0.00 -2.27 0.00 0.00 179.45 177.06 1r3b h ARG 153 N 0.08 0.00 0.02 1.90 -0.00 -0.60 -3.15 114.38 112.63 1r3b h ARG 153 Ca 0.05 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.53 1r3b h ARG 153 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.43 1r3b h ARG 153 CO 0.02 0.55 -0.01 -0.07 0.00 0.00 0.00 179.97 180.45 1r3b h LEU 154 N 0.00 -0.03 -1.71 3.04 3.38 0.13 -3.07 115.31 117.06 1r3b h LEU 154 Ca -0.01 -0.41 0.12 0.00 0.09 0.00 0.00 57.88 57.68 1r3b h LEU 154 Cb 1.03 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1r3b h LEU 154 CO 0.07 0.40 0.41 0.15 0.09 0.00 0.00 178.44 179.56 1r3b h PHE 155 N -0.45 0.34 -0.87 1.13 3.04 -1.38 -0.51 116.94 118.24 1r3b h PHE 155 Ca -0.00 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.02 1r3b h PHE 155 Cb 0.43 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.77 1r3b h PHE 155 CO 0.07 0.15 0.53 0.00 -2.02 0.00 0.00 178.31 177.04 1r3b h ARG 156 N 0.31 0.93 -0.39 1.11 3.08 -1.49 -1.04 114.38 116.89 1r3b h ARG 156 Ca 0.29 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.19 1r3b h ARG 156 Cb 0.71 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1r3b h ARG 156 CO -0.07 0.62 -0.14 0.28 -1.07 0.00 0.00 179.97 179.58 1r3b h VAL 157 N 0.96 1.26 0.47 2.04 2.07 -1.12 -1.93 116.25 120.01 1r3b h VAL 157 Ca 0.38 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1r3b h VAL 157 Cb 0.21 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1r3b h VAL 157 CO -0.19 0.40 -0.23 0.22 0.02 0.00 0.00 177.57 177.80 1r3b h TYR 158 N 0.64 -0.59 -0.74 1.57 3.20 -0.99 -2.80 116.97 117.25 1r3b h TYR 158 Ca 0.11 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1r3b h TYR 158 Cb 0.61 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 1r3b h TYR 158 CO 0.03 -0.36 0.39 0.00 -1.64 0.00 0.00 178.16 176.58 1r3b h ALA 159 N -0.13 0.95 -0.95 1.82 0.00 -1.35 -2.49 119.26 117.11 1r3b h ALA 159 Ca -0.06 -0.13 0.23 0.00 0.00 0.00 0.00 54.91 54.95 1r3b h ALA 159 Cb 0.50 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1r3b h ALA 159 CO 0.11 0.48 0.63 1.25 0.00 0.00 0.00 179.25 181.72 1r3b h HIS 160 N 1.03 0.53 -0.87 0.00 -0.00 -1.22 -0.79 115.15 113.84 1r3b h HIS 160 Ca 0.26 0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.76 1r3b h HIS 160 Cb 0.06 -0.16 -0.08 0.00 -0.00 0.00 0.00 27.41 27.23 1r3b h HIS 160 CO 0.00 0.11 0.50 0.97 -0.00 0.00 0.00 177.93 179.51 1r3b h ILE 161 N 0.37 0.85 0.42 6.26 -0.00 -1.18 -0.28 117.51 123.95 1r3b h ILE 161 Ca 0.51 -0.27 -0.02 0.00 -0.00 0.00 0.00 64.86 65.08 1r3b h ILE 161 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 38.15 1r3b h ILE 161 CO -0.20 0.14 -0.20 1.88 -0.00 0.00 0.00 178.15 179.78 1r3b h TYR 162 N 0.78 -0.52 -0.37 2.19 -1.99 -1.28 0.83 116.97 116.61 1r3b h TYR 162 Ca 0.44 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.16 1r3b h TYR 162 Cb 0.49 0.17 -0.02 0.00 2.00 0.00 0.00 36.73 39.37 1r3b h TYR 162 CO -0.06 -0.24 0.21 0.45 -0.00 0.00 0.00 178.16 178.53 1r3b h HIS 163 N -1.07 0.48 0.10 4.88 3.86 -1.51 -0.01 115.15 121.88 1r3b h HIS 163 Ca -0.06 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.81 1r3b h HIS 163 Cb 0.51 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 1r3b h HIS 163 CO 0.02 0.33 -1.87 1.96 0.86 0.00 0.00 177.93 179.23 1r3b h GLN 164 N 0.51 0.20 0.00 2.45 7.50 -1.14 -3.44 115.11 121.19 1r3b h GLN 164 Ca 0.13 -0.35 -0.22 0.00 0.50 0.00 0.00 58.65 58.72 1r3b h GLN 164 Cb -0.00 0.13 -0.14 0.00 0.05 0.00 0.00 27.48 27.51 1r3b h GLN 164 CO -0.02 1.03 -0.43 -2.39 -1.50 0.00 0.00 178.83 175.51 1r3b n HIS 165 N -3.37 -2.95 -0.08 2.96 1.44 0.21 -4.89 115.22 108.53 1r3b n HIS 165 Ca -0.26 -1.83 -0.12 0.00 -2.01 0.00 0.00 57.72 53.50 1r3b n HIS 165 Cb 1.05 1.57 -0.05 0.00 0.12 0.00 0.00 29.99 32.68 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 3.50 0.52 -0.84 -1.40 3.57 -0.20 -2.99 116.94 119.10 1r3b h PHE 166 Ca -0.14 -0.12 0.11 0.00 3.53 0.00 0.00 57.97 61.35 1r3b h PHE 166 Cb 1.07 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 1r3b h PHE 166 CO 0.13 0.71 0.55 0.22 -2.23 0.00 0.00 178.31 177.68 1r3b h ASP 167 N 0.19 0.70 -0.54 0.41 1.82 -1.88 0.09 116.42 117.20 1r3b h ASP 167 Ca 0.06 0.02 0.12 0.00 -0.39 0.00 0.00 57.03 56.84 1r3b h ASP 167 Cb 0.55 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.41 1r3b h ASP 167 CO 0.03 0.40 0.38 0.00 -1.61 0.00 0.00 179.24 178.43 1r3b h ALA 168 N 1.59 2.25 -0.14 -0.78 0.00 -1.89 0.20 119.26 120.49 1r3b h ALA 168 Ca 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1r3b h ALA 168 Cb 0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1r3b h ALA 168 CO -0.17 -0.39 0.07 0.28 0.00 0.00 0.00 179.25 179.04 1r3b h VAL 169 N 0.19 1.13 0.00 0.00 2.07 -1.03 -2.47 116.25 116.14 1r3b h VAL 169 Ca 0.26 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1r3b h VAL 169 Cb 0.76 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1r3b h VAL 169 CO -0.04 0.11 -0.48 0.24 0.02 0.00 0.00 177.57 177.43 1r3b h MET 170 N 0.10 0.00 0.00 1.57 2.07 -1.25 -2.97 114.93 114.44 1r3b h MET 170 Ca 0.05 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.66 1r3b h MET 170 Cb 0.12 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.85 1r3b h MET 170 CO -0.01 0.48 -0.08 0.37 1.07 0.00 0.00 176.91 178.74 1r3b h GLN 171 N 0.00 0.00 -1.98 1.72 4.15 -0.23 -3.04 115.11 115.72 1r3b h GLN 171 Ca -0.00 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 1r3b h GLN 171 Cb 0.99 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.61 1r3b h GLN 171 CO 0.06 0.08 -0.21 1.47 -1.93 0.00 0.00 178.83 178.30 1r3b n LEU 172 N -4.30 5.41 0.00 -2.39 -0.00 -0.99 -4.83 117.00 109.90 1r3b n LEU 172 Ca -0.03 -3.09 0.00 0.00 -0.00 0.00 0.00 56.01 52.89 1r3b n LEU 172 Cb 0.16 -1.33 0.00 0.00 -0.00 0.00 0.00 43.42 42.25 1r3b n LEU 172 CO 0.34 1.54 0.00 1.67 -0.00 0.00 0.00 177.39 180.94 1r3b n GLN 173 N 2.08 0.00 -4.43 1.47 7.27 -1.15 -4.81 117.38 117.81 1r3b n GLN 173 Ca 0.34 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 57.19 1r3b n GLN 173 Cb 0.79 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.33 1r3b n GLN 173 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1r3b s GLU 174 N 0.00 1.56 -0.06 3.69 -1.05 -1.26 -4.97 118.70 116.61 1r3b s GLU 174 Ca 0.00 -1.80 0.10 0.00 -0.15 0.00 0.00 54.97 53.13 1r3b s GLU 174 Cb 0.00 -1.14 0.18 0.00 -0.44 0.00 0.00 34.13 32.73 1r3b s GLU 174 CO 0.00 0.02 1.09 -1.91 0.95 0.00 0.00 175.26 175.41 1r3b n GLU 175 N -0.59 0.57 0.09 -4.83 2.13 -1.26 -4.38 120.64 112.37 1r3b n GLU 175 Ca -0.05 -1.85 -0.02 0.00 0.66 0.00 0.00 57.16 55.90 1r3b n GLU 175 Cb 0.64 -0.87 -0.05 0.00 0.27 0.00 0.00 31.44 31.43 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 0.21 0.54 0.01 4.31 0.00 -1.97 -3.23 119.26 119.13 1r3b h ALA 176 Ca -0.03 -0.71 0.01 0.00 0.00 0.00 0.00 54.91 54.18 1r3b h ALA 176 Cb 1.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1r3b h ALA 176 CO 0.01 0.94 -0.04 0.45 0.00 0.00 0.00 179.25 180.61 1r3b h HIS 177 N 0.00 -0.10 -0.20 0.00 3.86 -1.98 0.98 115.15 117.71 1r3b h HIS 177 Ca -0.03 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1r3b h HIS 177 Cb 1.58 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 30.08 1r3b h HIS 177 CO 0.00 -0.06 0.11 1.25 0.86 0.00 0.00 177.93 180.09 1r3b h LEU 178 N -0.07 0.26 -0.78 2.43 5.85 -1.94 0.64 115.31 121.70 1r3b h LEU 178 Ca 0.01 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1r3b h LEU 178 Cb 0.09 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1r3b h LEU 178 CO -0.04 0.28 0.32 -1.13 -0.34 0.00 0.00 178.44 177.53 1r3b h ASN 179 N 0.22 1.07 0.12 1.25 -0.73 -1.52 0.56 115.58 116.54 1r3b h ASN 179 Ca 0.07 -0.17 -0.01 0.00 1.87 0.00 0.00 56.30 58.07 1r3b h ASN 179 Cb 0.08 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.39 1r3b h ASN 179 CO -0.01 0.94 -0.06 0.74 -0.37 0.00 0.00 177.43 178.67 1r3b h THR 180 N 1.12 1.05 -0.32 -3.57 2.02 0.13 -2.83 112.91 110.52 1r3b h THR 180 Ca 0.26 -0.73 0.07 0.00 0.77 0.00 0.00 66.41 66.78 1r3b h THR 180 Cb 0.20 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1r3b h THR 180 CO -0.02 0.17 0.22 -1.28 0.37 0.00 0.00 175.52 174.99 1r3b h SER 181 N -0.50 0.11 -0.88 4.18 0.87 0.41 -0.54 113.55 117.19 1r3b h SER 181 Ca -0.02 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.70 1r3b h SER 181 Cb 0.41 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.28 1r3b h SER 181 CO 0.03 0.07 0.57 0.15 -0.53 0.00 0.00 176.83 177.12 1r3b h PHE 182 N 0.12 0.72 -0.67 2.24 3.04 -0.62 0.19 116.94 121.96 1r3b h PHE 182 Ca 0.15 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 1r3b h PHE 182 Cb 0.44 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.69 1r3b h PHE 182 CO -0.00 0.25 0.39 -0.22 -2.02 0.00 0.00 178.31 176.71 1r3b h LYS 183 N 0.59 0.90 -0.11 1.11 3.64 -1.11 -2.19 116.57 119.41 1r3b h LYS 183 Ca 0.45 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1r3b h LYS 183 Cb 0.85 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1r3b h LYS 183 CO -0.20 0.64 -0.06 1.25 -2.27 0.00 0.00 179.45 178.81 1r3b h HIS 184 N 0.92 0.27 -0.24 1.91 2.76 -0.75 0.83 115.15 120.84 1r3b h HIS 184 Ca 0.24 -0.07 0.07 0.00 -2.20 0.00 0.00 60.37 58.41 1r3b h HIS 184 Cb -0.03 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1r3b h HIS 184 CO 0.00 0.59 0.28 0.74 -1.30 0.00 0.00 177.93 178.25 1r3b h PHE 185 N -0.14 0.00 0.00 5.26 0.04 -1.00 -0.77 116.94 120.33 1r3b h PHE 185 Ca 0.02 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.48 1r3b h PHE 185 Cb 0.53 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.63 1r3b h PHE 185 CO 0.07 0.00 -1.83 -0.89 -0.60 0.00 0.00 178.31 175.07 1r3b n ILE 186 N -3.71 1.52 -0.35 -0.55 2.08 -0.86 -4.15 119.36 113.34 1r3b n ILE 186 Ca 0.03 -0.17 0.16 0.00 0.56 0.00 0.00 62.75 63.33 1r3b n ILE 186 Cb 0.42 -2.02 0.36 0.00 -0.75 0.00 0.00 39.64 37.64 1r3b n ILE 186 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1r3b h PHE 187 N -1.00 1.03 -0.27 1.39 0.04 0.95 0.65 116.94 119.72 1r3b h PHE 187 Ca -0.47 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.33 1r3b h PHE 187 Cb 1.37 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 1r3b h PHE 187 CO -0.08 0.13 0.12 0.35 -0.60 0.00 0.00 178.31 178.23 1r3b h PHE 188 N 0.66 0.37 0.09 -0.55 3.57 -1.35 -2.03 116.94 117.70 1r3b h PHE 188 Ca 0.62 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.11 1r3b h PHE 188 Cb 1.09 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1r3b h PHE 188 CO -0.01 0.29 -0.05 0.28 -2.23 0.00 0.00 178.31 176.60 1r3b h VAL 189 N 0.38 1.13 -0.20 1.41 2.07 0.12 -2.93 116.25 118.23 1r3b h VAL 189 Ca 0.10 -0.97 0.06 0.00 0.82 0.00 0.00 66.70 66.71 1r3b h VAL 189 Cb 0.07 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1r3b h VAL 189 CO -0.01 0.23 0.15 1.56 0.02 0.00 0.00 177.57 179.52 1r3b h GLN 190 N -0.58 0.00 0.31 1.57 4.20 -1.10 2.38 115.11 121.88 1r3b h GLN 190 Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1r3b h GLN 190 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1r3b h GLN 190 CO 0.02 0.00 -0.15 1.49 -0.67 0.00 0.00 178.83 179.52 1r3b h GLU 191 N 0.00 -0.40 -0.03 1.46 4.57 -1.29 -3.35 114.58 115.55 1r3b h GLU 191 Ca 0.10 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1r3b h GLU 191 Cb 0.40 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1r3b h GLU 191 CO -0.00 -0.07 -0.21 1.19 -1.18 0.00 0.00 179.01 178.74 1r3b n PHE 192 N -5.12 0.09 0.00 0.92 3.72 -1.07 -4.89 117.46 111.12 1r3b n PHE 192 Ca -0.09 -1.23 0.00 0.00 -0.05 0.00 0.00 57.45 56.07 1r3b n PHE 192 Cb 0.27 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 1r3b n PHE 192 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1r3b n ASN 193 N -1.25 0.00 0.00 4.37 2.85 0.72 -5.01 115.26 116.94 1r3b n ASN 193 Ca 0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1r3b n ASN 193 Cb 0.69 0.10 0.00 0.00 1.24 0.00 0.00 39.78 41.81 1r3b n ASN 193 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1r3b n LEU 194 N -1.68 0.20 -4.80 1.20 -0.00 0.31 -4.87 117.00 107.35 1r3b n LEU 194 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.70 1r3b n LEU 194 Cb 0.00 -0.51 0.05 0.00 -0.00 0.00 0.00 43.42 42.96 1r3b n LEU 194 CO 0.00 -0.13 0.71 -0.51 -0.00 0.00 0.00 177.39 177.46 1r3b s ILE 195 N -2.84 3.76 -0.34 1.47 1.10 -1.26 -4.92 121.20 118.17 1r3b s ILE 195 Ca 0.00 0.63 0.15 0.00 -0.51 0.00 0.00 60.65 60.92 1r3b s ILE 195 Cb 0.00 -3.25 0.44 0.00 0.15 0.00 0.00 42.46 39.79 1r3b s ILE 195 CO 0.00 -0.69 1.20 -0.67 -2.11 0.00 0.00 174.94 172.66 1r3b n ASP 196 N -3.00 -0.05 0.00 4.50 2.03 -1.26 -4.70 116.55 114.08 1r3b n ASP 196 Ca 0.08 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 52.95 1r3b n ASP 196 Cb 0.53 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 1r3b n ASP 196 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1r3b n ARG 197 N -0.54 0.00 0.11 -0.67 0.00 -1.26 -4.88 116.66 109.43 1r3b n ARG 197 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.76 1r3b n ARG 197 Cb 0.84 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.23 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 -0.34 0.02 -0.14 2.43 -1.97 -2.70 114.38 111.68 1r3b h ARG 198 Ca 0.00 0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 58.87 1r3b h ARG 198 Cb 0.00 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 1r3b h ARG 198 CO 0.00 -0.02 -1.90 -1.91 -1.51 0.00 0.00 179.97 174.63 1r3b n GLU 199 N -5.02 0.66 -0.99 0.20 4.07 -1.26 -4.12 120.64 114.19 1r3b n GLU 199 Ca -0.08 0.24 -0.16 0.00 -0.06 0.00 0.00 57.16 57.10 1r3b n GLU 199 Cb 0.25 -1.72 0.18 0.00 -0.06 0.00 0.00 31.44 30.08 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 -3.08 5.96 0.06 4.31 4.77 -1.26 -4.59 117.00 123.18 1r3b n LEU 200 Ca -0.23 -3.16 -0.11 0.00 -0.03 0.00 0.00 56.01 52.48 1r3b n LEU 200 Cb 1.07 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 1r3b n LEU 200 CO 0.44 0.90 0.74 0.00 -1.33 0.00 0.00 177.39 178.14 1r3b h ALA 201 N 1.52 -0.24 0.00 -1.18 0.00 -1.63 -3.01 119.26 114.71 1r3b h ALA 201 Ca 0.46 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.93 1r3b h ALA 201 Cb 2.45 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 20.56 1r3b h ALA 201 CO 0.85 -0.69 2.08 -0.35 0.00 0.00 0.00 179.25 181.15 1r3b n PRO 202 N -5.32 2.77 0.00 0.00 -0.04 -1.26 -3.57 135.00 127.58 1r3b n PRO 202 Ca -0.05 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 1r3b n PRO 202 Cb 0.23 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1r3b n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1r3b n LEU 203 N 3.25 0.13 0.22 1.53 4.77 -1.14 -4.80 117.00 120.97 1r3b n LEU 203 Ca 0.59 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.75 1r3b n LEU 203 Cb 0.46 0.00 0.82 0.00 -2.33 0.00 0.00 43.42 42.37 1r3b n LEU 203 CO 0.56 -0.09 1.15 1.56 -1.33 0.00 0.00 177.39 179.24 1r3b h GLN 204 N 0.00 0.00 0.00 3.23 4.20 -1.73 -0.91 115.11 119.91 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1r3b h GLN 204 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1r3b h GLN 204 CO 0.00 0.00 -0.00 0.93 -0.67 0.00 0.00 178.83 179.09 1r3b h GLU 205 N 0.00 -0.00 -0.03 1.46 5.08 -1.87 -3.05 114.58 116.16 1r3b h GLU 205 Ca 0.09 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1r3b h GLU 205 Cb 0.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1r3b h GLU 205 CO -0.00 0.80 -0.35 1.37 -1.00 0.00 0.00 179.01 179.83 1r3b h LEU 206 N -0.81 0.06 -1.12 1.33 8.10 -1.62 -2.48 115.31 118.77 1r3b h LEU 206 Ca -0.00 -0.02 -0.09 0.00 0.11 0.00 0.00 57.88 57.88 1r3b h LEU 206 Cb 0.80 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.99 1r3b h LEU 206 CO 0.00 0.41 -0.32 0.40 -4.11 0.00 0.00 178.44 174.82 1r3b h ILE 207 N 0.06 1.27 -0.02 0.15 1.08 -1.29 -2.08 117.51 116.67 1r3b h ILE 207 Ca 0.01 -1.27 -0.09 0.00 -0.39 0.00 0.00 64.86 63.11 1r3b h ILE 207 Cb 0.64 1.55 0.01 0.00 -3.07 0.00 0.00 36.82 35.94 1r3b h ILE 207 CO 0.05 0.38 -0.34 -0.33 -0.69 0.00 0.00 178.15 177.22 1r3b h GLU 208 N 0.18 0.27 -0.16 2.37 4.39 -1.34 -3.00 114.58 117.29 1r3b h GLU 208 Ca 0.02 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1r3b h GLU 208 Cb 0.66 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1r3b h GLU 208 CO 0.05 0.95 0.06 -0.22 -1.16 0.00 0.00 179.01 178.69 1r3b h LYS 209 N -0.32 0.21 -0.04 2.33 3.64 -1.39 -1.48 116.57 119.52 1r3b h LYS 209 Ca -0.04 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1r3b h LYS 209 Cb 1.05 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1r3b h LYS 209 CO 0.07 0.18 -0.55 1.25 -2.27 0.00 0.00 179.45 178.13 1r3b h LEU 210 N 0.22 0.13 0.00 5.20 6.46 -1.39 -3.48 115.31 122.44 1r3b h LEU 210 Ca 0.06 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1r3b h LEU 210 Cb 0.05 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1r3b h LEU 210 CO -0.01 0.66 0.00 0.61 -0.62 0.00 0.00 178.44 179.08 1r3b n GLY 211 N 0.11 0.74 0.15 3.75 0.00 -0.56 -5.04 105.19 104.34 1r3b n GLY 211 Ca -0.02 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 1r3b n GLY 211 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r3b h SER 212 N 0.00 0.68 -5.05 1.61 4.64 -1.73 -3.50 113.55 110.20 1r3b h SER 212 Ca 0.00 -0.83 0.01 0.00 -0.47 0.00 0.00 61.79 60.50 1r3b h SER 212 Cb 0.00 -0.21 -0.08 0.00 -0.31 0.00 0.00 62.40 61.80 1r3b h SER 212 CO 0.00 1.44 -1.36 1.17 -0.87 0.00 0.00 176.83 177.21 1r3b n LYS 213 N -4.01 -4.17 -4.03 4.77 4.81 -1.26 -5.02 118.16 109.24 1r3b n LYS 213 Ca -0.13 3.20 -0.29 0.00 -0.87 0.00 0.00 58.31 60.23 1r3b n LYS 213 Cb 0.84 -5.24 -0.06 0.00 0.02 0.00 0.00 35.03 30.60 1r3b n LYS 213 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1r3b s ASP 214 N -1.08 5.68 0.00 3.14 2.15 -1.26 -5.27 116.67 120.03 1r3b s ASP 214 Ca -0.17 0.01 0.26 0.00 0.43 0.00 0.00 52.55 53.07 1r3b s ASP 214 Cb 0.01 -1.56 0.55 0.00 -0.30 0.00 0.00 42.92 41.62 1r3b s ASP 214 CO 0.80 0.14 1.46 -1.14 -0.17 0.00 0.00 175.17 176.25