#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 4.95 3.86 3.17 0.00 -1.26 -5.08 105.19 110.83 1r3b n GLY 15 Ca 0.00 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.63 1r3b n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3b s SER 16 N -3.56 6.25 0.04 1.61 1.04 -1.26 -5.09 113.70 112.73 1r3b s SER 16 Ca 0.43 1.48 0.05 0.00 0.48 0.00 0.00 55.95 58.39 1r3b s SER 16 Cb 0.38 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 64.00 1r3b s SER 16 CO 0.00 -0.85 -0.15 -0.94 0.98 0.00 0.00 173.24 172.28 1r3b s SER 17 N -3.86 1.81 -0.35 7.02 1.04 -1.26 -5.12 113.70 112.98 1r3b s SER 17 Ca 0.56 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.55 1r3b s SER 17 Cb -0.11 -0.13 0.10 0.00 0.10 0.00 0.00 66.02 65.98 1r3b s SER 17 CO 0.48 0.07 0.09 -2.28 0.98 0.00 0.00 173.24 172.58 1r3b s HIS 18 N -0.80 3.65 0.01 5.02 5.65 -1.26 -5.08 115.29 122.48 1r3b s HIS 18 Ca 0.03 -2.70 0.02 0.00 0.25 0.00 0.00 55.06 52.66 1r3b s HIS 18 Cb -0.08 -2.91 -0.01 0.00 -1.18 0.00 0.00 32.58 28.40 1r3b s HIS 18 CO 0.01 -0.94 -0.08 -3.38 -0.65 0.00 0.00 174.74 169.70 1r3b s HIS 19 N 1.01 0.66 -0.25 3.88 0.00 -1.26 -5.15 115.29 114.19 1r3b s HIS 19 Ca 0.08 -0.24 -0.15 0.00 -3.00 0.00 0.00 55.06 51.75 1r3b s HIS 19 Cb -0.20 -0.41 0.07 0.00 -4.00 0.00 0.00 32.58 28.04 1r3b s HIS 19 CO -0.06 -0.03 0.62 -1.01 -1.00 0.00 0.00 174.74 173.26 1r3b s HIS 20 N -0.57 -0.94 0.00 0.38 4.02 -1.26 -5.17 115.29 111.76 1r3b s HIS 20 Ca -0.01 1.92 0.03 0.00 1.02 0.00 0.00 55.06 58.02 1r3b s HIS 20 Cb -0.05 0.54 -0.01 0.00 -1.02 0.00 0.00 32.58 32.03 1r3b s HIS 20 CO 0.00 -0.48 -0.10 -1.01 1.02 0.00 0.00 174.74 174.17 1r3b s HIS 21 N 1.54 0.89 -0.06 1.40 0.09 -1.26 -5.14 115.29 112.75 1r3b s HIS 21 Ca -0.10 -0.22 -0.02 0.00 -0.00 0.00 0.00 55.06 54.72 1r3b s HIS 21 Cb -0.06 -0.56 0.04 0.00 -0.00 0.00 0.00 32.58 32.00 1r3b s HIS 21 CO -0.18 -0.01 0.08 -3.38 -0.00 0.00 0.00 174.74 171.25 1r3b s HIS 22 N -0.42 0.02 -0.05 1.40 0.00 -1.26 -5.13 115.29 109.85 1r3b s HIS 22 Ca 0.02 0.29 -0.01 0.00 -3.00 0.00 0.00 55.06 52.37 1r3b s HIS 22 Cb -0.05 -0.45 0.03 0.00 -4.00 0.00 0.00 32.58 28.11 1r3b s HIS 22 CO -0.00 -0.23 0.00 -1.01 -1.00 0.00 0.00 174.74 172.51 1r3b s HIS 23 N 2.19 0.52 -0.10 0.38 0.09 -1.26 -5.13 115.29 111.98 1r3b s HIS 23 Ca 0.04 -0.08 -0.01 0.00 -0.00 0.00 0.00 55.06 55.02 1r3b s HIS 23 Cb -0.12 -0.65 0.03 0.00 -0.00 0.00 0.00 32.58 31.84 1r3b s HIS 23 CO -0.04 -0.25 -0.03 -1.12 -0.00 0.00 0.00 174.74 173.30 1r3b s SER 24 N 1.63 1.95 0.58 1.40 0.01 -1.26 -5.14 113.70 112.87 1r3b s SER 24 Ca -0.01 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.04 1r3b s SER 24 Cb -0.13 -0.64 0.05 0.00 0.21 0.00 0.00 66.02 65.51 1r3b s SER 24 CO -0.03 -0.17 0.80 -0.44 0.41 0.00 0.00 173.24 173.82 1r3b s SER 25 N 1.84 5.11 -0.27 2.44 0.01 -1.26 -5.12 113.70 116.46 1r3b s SER 25 Ca 0.05 -0.14 -0.28 0.00 1.31 0.00 0.00 55.95 56.89 1r3b s SER 25 Cb -0.13 -0.64 0.17 0.00 0.21 0.00 0.00 66.02 65.63 1r3b s SER 25 CO -0.07 -1.27 1.28 -0.83 0.41 0.00 0.00 173.24 172.77 1r3b s GLY 26 N -4.49 0.08 -0.09 3.44 0.00 -1.26 -5.17 107.32 99.82 1r3b s GLY 26 Ca 0.59 2.87 -0.06 0.00 0.00 0.00 0.00 44.72 48.12 1r3b s GLY 26 CO 0.39 1.41 0.22 -2.27 0.00 0.00 0.00 173.10 172.86 1r3b s LEU 27 N -0.60 0.80 -0.28 0.66 2.96 -1.26 -5.14 118.68 115.81 1r3b s LEU 27 Ca 0.06 0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 54.33 1r3b s LEU 27 Cb -0.02 0.71 -0.03 0.00 0.50 0.00 0.00 46.19 47.34 1r3b s LEU 27 CO -0.08 -0.12 0.16 -0.69 -1.32 0.00 0.00 176.35 174.30 1r3b s VAL 28 N 0.71 4.94 0.80 1.68 1.01 -1.26 -5.09 120.40 123.19 1r3b s VAL 28 Ca -0.05 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1r3b s VAL 28 Cb -0.06 -3.39 0.07 0.00 0.00 0.00 0.00 36.38 33.00 1r3b s VAL 28 CO -0.04 0.21 1.09 -2.16 0.00 0.00 0.00 175.10 174.20 1r3b s PRO 29 N 1.70 2.04 0.06 2.72 0.04 -1.26 -5.08 135.00 135.22 1r3b s PRO 29 Ca 0.06 1.01 0.04 0.00 0.04 0.00 0.00 61.00 62.15 1r3b s PRO 29 Cb -0.16 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1r3b s PRO 29 CO 0.08 -1.75 -0.12 1.03 0.04 0.00 0.00 177.00 176.29 1r3b s ARG 30 N -4.95 0.73 0.00 4.56 0.52 -1.26 -5.13 118.95 113.42 1r3b s ARG 30 Ca 0.61 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 1r3b s ARG 30 Cb -0.17 -0.66 0.00 0.00 0.52 0.00 0.00 34.95 34.65 1r3b s ARG 30 CO 0.56 0.14 0.00 0.41 0.02 0.00 0.00 175.30 176.43 1r3b n GLY 31 N 1.40 1.65 3.09 -3.53 0.00 -1.26 -5.19 105.19 101.35 1r3b n GLY 31 Ca -0.21 0.44 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 1r3b n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3b s SER 32 N 0.00 0.55 0.12 1.61 1.04 -1.26 -5.17 113.70 110.59 1r3b s SER 32 Ca 0.00 -0.96 0.06 0.00 0.48 0.00 0.00 55.95 55.54 1r3b s SER 32 Cb 0.00 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 1r3b s SER 32 CO 0.00 -0.56 -0.15 0.00 0.98 0.00 0.00 173.24 173.51 1r3b s ALA 33 N -3.67 1.54 -0.12 5.32 0.00 -1.26 -5.15 121.76 118.42 1r3b s ALA 33 Ca 0.06 -1.28 -0.09 0.00 0.00 0.00 0.00 51.96 50.65 1r3b s ALA 33 Cb 0.06 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.12 1r3b s ALA 33 CO -0.09 0.15 0.30 -0.08 0.00 0.00 0.00 175.76 176.04 1r3b s THR 34 N -1.95 -0.02 0.64 0.00 -1.32 -1.26 -5.17 115.64 106.57 1r3b s THR 34 Ca 0.08 0.06 -0.03 0.00 -1.21 0.00 0.00 61.69 60.59 1r3b s THR 34 Cb -0.06 -0.44 0.06 0.00 -1.51 0.00 0.00 72.50 70.55 1r3b s THR 34 CO 0.03 0.02 0.91 -0.76 -2.21 0.00 0.00 174.62 172.62 1r3b s LEU 35 N 0.66 3.03 -0.05 9.08 2.01 -1.26 -5.11 118.68 127.04 1r3b s LEU 35 Ca -0.04 0.17 -0.00 0.00 0.01 0.00 0.00 54.13 54.26 1r3b s LEU 35 Cb -0.05 -2.88 0.03 0.00 0.01 0.00 0.00 46.19 43.29 1r3b s LEU 35 CO -0.04 -1.44 0.00 -0.83 1.01 0.00 0.00 176.35 175.05 1r3b s GLY 36 N -4.50 0.35 0.30 -3.19 0.00 -1.26 -5.02 107.32 94.00 1r3b s GLY 36 Ca 0.60 0.03 0.05 0.00 0.00 0.00 0.00 44.72 45.39 1r3b s GLY 36 CO 0.42 0.89 0.41 1.44 0.00 0.00 0.00 173.10 176.26 1r3b n SER 37 N 4.66 1.10 -0.67 1.64 7.64 -1.26 -5.14 113.62 121.58 1r3b n SER 37 Ca -0.16 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1r3b n SER 37 Cb 0.50 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1r3b n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r3b n GLY 38 N 1.35 2.38 2.49 0.23 0.00 -1.26 -5.11 105.19 105.27 1r3b n GLY 38 Ca 0.08 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.13 1r3b n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r3b n ASN 39 N -0.70 -4.52 -0.02 1.61 3.02 -1.26 -4.74 115.26 108.65 1r3b n ASN 39 Ca 0.00 1.60 -0.11 0.00 -0.03 0.00 0.00 54.58 56.03 1r3b n ASN 39 Cb 0.00 -5.28 -0.10 0.00 -0.61 0.00 0.00 39.78 33.80 1r3b n ASN 39 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1r3b h LEU 40 N 4.20 -0.05 -0.32 3.41 7.12 -1.99 -3.09 115.31 124.59 1r3b h LEU 40 Ca -0.32 -0.62 0.01 0.00 0.13 0.00 0.00 57.88 57.08 1r3b h LEU 40 Cb 0.72 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.84 1r3b h LEU 40 CO 0.01 0.67 0.20 0.03 -0.13 0.00 0.00 178.44 179.22 1r3b h ARG 41 N -0.86 0.39 -0.18 1.25 -0.00 -1.99 -1.46 114.38 111.53 1r3b h ARG 41 Ca -0.01 -0.02 0.05 0.00 -0.50 0.00 0.00 59.98 59.50 1r3b h ARG 41 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.54 1r3b h ARG 41 CO 0.01 0.26 0.19 0.37 0.00 0.00 0.00 179.97 180.80 1r3b h GLN 42 N 0.40 0.00 0.00 0.04 5.75 -1.85 0.22 115.11 119.67 1r3b h GLN 42 Ca 0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1r3b h GLN 42 Cb -0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.53 1r3b h GLN 42 CO -0.05 0.00 -0.38 0.00 -2.65 0.00 0.00 178.83 175.76 1r3b n ALA 43 N -2.36 2.68 0.00 3.38 0.00 -0.59 -3.81 120.51 119.82 1r3b n ALA 43 Ca 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 1r3b n ALA 43 Cb 0.31 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 1r3b n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1r3b h VAL 44 N 0.00 1.03 -3.81 0.00 2.07 -0.12 -3.47 116.25 111.96 1r3b h VAL 44 Ca 0.00 -2.84 -0.55 0.00 0.82 0.00 0.00 66.70 64.13 1r3b h VAL 44 Cb 0.73 2.54 -0.32 0.00 -1.52 0.00 0.00 31.29 32.73 1r3b h VAL 44 CO 0.00 0.63 -0.83 -0.32 0.02 0.00 0.00 177.57 177.07 1r3b s MET 45 N -2.62 1.77 -0.72 1.57 -2.45 -0.98 -5.01 119.30 110.86 1r3b s MET 45 Ca -0.05 -0.57 -0.33 0.00 -1.25 0.00 0.00 55.69 53.49 1r3b s MET 45 Cb 0.08 -1.52 -0.17 0.00 1.25 0.00 0.00 34.83 34.47 1r3b s MET 45 CO 0.82 0.20 2.48 -0.11 1.05 0.00 0.00 175.02 179.46 1r3b n LEU 46 N 3.26 1.07 -4.76 4.11 7.94 -1.26 -4.74 117.00 122.61 1r3b n LEU 46 Ca -0.19 0.15 -0.36 0.00 -1.11 0.00 0.00 56.01 54.51 1r3b n LEU 46 Cb 0.53 -1.11 0.02 0.00 0.53 0.00 0.00 43.42 43.40 1r3b n LEU 46 CO 0.25 -0.90 0.83 -2.16 -1.11 0.00 0.00 177.39 174.30 1r3b s PRO 47 N 7.95 3.09 0.19 1.96 0.04 -1.26 -4.29 135.00 142.68 1r3b s PRO 47 Ca 1.22 1.77 0.00 0.00 0.04 0.00 0.00 61.00 64.03 1r3b s PRO 47 Cb -1.01 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1r3b s PRO 47 CO 0.47 -1.09 0.00 0.39 0.04 0.00 0.00 177.00 176.81 1r3b n GLU 48 N -1.49 0.00 0.00 4.56 1.02 -1.26 -3.19 120.64 120.29 1r3b n GLU 48 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1r3b n GLU 48 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r3b n GLY 49 N 0.00 0.00 3.70 0.62 0.00 -1.26 -5.17 105.19 103.08 1r3b n GLY 49 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 1.17 0.74 1.61 2.02 -1.19 -5.00 118.70 118.04 1r3b s GLU 50 Ca 0.00 0.95 -0.12 0.00 0.02 0.00 0.00 54.97 55.82 1r3b s GLU 50 Cb 0.00 -1.79 0.04 0.00 0.10 0.00 0.00 34.13 32.48 1r3b s GLU 50 CO 0.00 -2.34 1.10 0.34 0.02 0.00 0.00 175.26 174.38 1r3b s ASP 51 N -3.25 4.64 0.07 -0.19 2.15 -1.26 -4.83 116.67 114.01 1r3b s ASP 51 Ca 0.64 1.92 -0.35 0.00 0.43 0.00 0.00 52.55 55.19 1r3b s ASP 51 Cb -0.19 -2.54 -0.19 0.00 -0.30 0.00 0.00 42.92 39.71 1r3b s ASP 51 CO 0.58 -1.94 1.60 0.25 -0.17 0.00 0.00 175.17 175.48 1r3b h LEU 52 N -0.72 -1.02 -1.92 -1.34 7.12 -1.99 -0.46 115.31 114.97 1r3b h LEU 52 Ca -0.45 0.05 0.28 0.00 0.13 0.00 0.00 57.88 57.90 1r3b h LEU 52 Cb 1.24 0.29 -0.05 0.00 -0.53 0.00 0.00 40.66 41.61 1r3b h LEU 52 CO 0.52 -0.66 0.71 0.78 -0.13 0.00 0.00 178.44 179.65 1r3b h ASN 53 N -1.07 0.06 -0.02 1.25 2.35 -1.97 0.12 115.58 116.30 1r3b h ASN 53 Ca -0.10 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.57 1r3b h ASN 53 Cb 0.85 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.22 1r3b h ASN 53 CO 0.12 0.02 -0.36 -0.08 -1.65 0.00 0.00 177.43 175.48 1r3b h GLU 54 N 0.05 0.28 -0.56 0.81 4.81 -1.79 -2.91 114.58 115.27 1r3b h GLU 54 Ca 0.48 -0.28 0.11 0.00 -0.13 0.00 0.00 59.36 59.55 1r3b h GLU 54 Cb 1.84 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 31.20 1r3b h GLU 54 CO -0.04 0.97 0.06 2.35 -0.73 0.00 0.00 179.01 181.62 1r3b h TRP 55 N -0.30 0.08 0.01 0.92 -0.00 0.87 0.45 115.95 117.99 1r3b h TRP 55 Ca -0.04 0.04 0.01 0.00 -0.00 0.00 0.00 58.89 58.90 1r3b h TRP 55 Cb 1.08 0.05 -0.02 0.00 -0.00 0.00 0.00 29.16 30.27 1r3b h TRP 55 CO 0.16 -0.08 -0.08 0.82 -0.00 0.00 0.00 178.44 179.26 1r3b h ILE 56 N 0.18 0.80 -0.47 2.65 2.04 -1.43 -0.41 117.51 120.87 1r3b h ILE 56 Ca 0.29 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.15 1r3b h ILE 56 Cb 0.44 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1r3b h ILE 56 CO -0.43 0.00 0.29 0.00 0.00 0.00 0.00 178.15 178.01 1r3b h ALA 57 N 0.83 1.62 -0.37 1.87 0.00 -1.07 0.87 119.26 123.01 1r3b h ALA 57 Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1r3b h ALA 57 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1r3b h ALA 57 CO -0.07 0.34 0.11 0.28 0.00 0.00 0.00 179.25 179.90 1r3b h VAL 58 N 0.65 1.22 -0.01 0.00 2.07 0.67 -2.67 116.25 118.18 1r3b h VAL 58 Ca 0.17 -0.72 -0.20 0.00 0.82 0.00 0.00 66.70 66.77 1r3b h VAL 58 Cb -0.04 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1r3b h VAL 58 CO -0.03 0.25 -0.86 0.78 0.02 0.00 0.00 177.57 177.72 1r3b h ASN 59 N 0.46 0.35 0.40 0.57 2.35 -0.55 -2.52 115.58 116.64 1r3b h ASN 59 Ca 0.12 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 1r3b h ASN 59 Cb 0.27 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1r3b h ASN 59 CO -0.00 1.06 -0.19 0.74 -1.65 0.00 0.00 177.43 177.39 1r3b h THR 60 N 0.16 0.61 -0.36 2.81 2.02 -0.78 1.16 112.91 118.53 1r3b h THR 60 Ca -0.05 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1r3b h THR 60 Cb 1.48 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1r3b h THR 60 CO 0.14 0.02 0.02 0.58 0.37 0.00 0.00 175.52 176.65 1r3b h VAL 61 N -0.59 1.20 0.05 3.16 2.07 -1.57 0.70 116.25 121.26 1r3b h VAL 61 Ca -0.05 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1r3b h VAL 61 Cb 0.44 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1r3b h VAL 61 CO 0.09 0.27 -0.02 0.44 0.02 0.00 0.00 177.57 178.36 1r3b h ASP 62 N 0.54 -0.06 0.50 0.57 5.19 -1.12 -2.23 116.42 119.80 1r3b h ASP 62 Ca 0.12 -0.45 -0.02 0.00 -0.62 0.00 0.00 57.03 56.05 1r3b h ASP 62 Cb 0.31 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1r3b h ASP 62 CO 0.01 0.44 -0.26 -0.26 -3.12 0.00 0.00 179.24 176.05 1r3b h PHE 63 N -0.58 -0.68 -0.68 4.55 -1.00 0.15 0.14 116.94 118.84 1r3b h PHE 63 Ca -0.01 -0.01 0.18 0.00 2.81 0.00 0.00 57.97 60.94 1r3b h PHE 63 Cb 0.51 0.23 -0.03 0.00 3.61 0.00 0.00 35.95 40.27 1r3b h PHE 63 CO 0.09 -0.41 0.48 0.35 -1.61 0.00 0.00 178.31 177.21 1r3b h PHE 64 N -0.70 0.12 0.03 -0.55 3.57 -0.95 0.43 116.94 118.89 1r3b h PHE 64 Ca -0.06 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1r3b h PHE 64 Cb 0.55 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1r3b h PHE 64 CO -0.06 0.04 -0.02 -0.97 -2.23 0.00 0.00 178.31 175.08 1r3b h ASN 65 N 0.10 -0.04 -0.16 0.41 -0.73 -0.75 -2.64 115.58 111.77 1r3b h ASN 65 Ca 0.33 -0.61 0.01 0.00 1.87 0.00 0.00 56.30 57.90 1r3b h ASN 65 Cb 1.16 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.74 1r3b h ASN 65 CO -0.04 0.73 0.06 1.56 -0.37 0.00 0.00 177.43 179.37 1r3b h GLN 66 N -0.95 0.13 -0.85 6.67 4.20 -0.17 0.22 115.11 124.37 1r3b h GLN 66 Ca -0.00 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.76 1r3b h GLN 66 Cb 0.64 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.33 1r3b h GLN 66 CO 0.01 0.09 0.53 -0.84 -0.67 0.00 0.00 178.83 177.95 1r3b h ILE 67 N 0.14 1.05 -0.33 2.54 -0.00 -0.31 -1.09 117.51 119.51 1r3b h ILE 67 Ca 0.07 -0.33 -0.11 0.00 -0.00 0.00 0.00 64.86 64.49 1r3b h ILE 67 Cb 0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 36.82 36.83 1r3b h ILE 67 CO -0.06 0.18 -0.20 -1.13 -0.00 0.00 0.00 178.15 176.93 1r3b h ASN 68 N 0.97 0.76 -0.41 2.16 -1.24 -1.06 -2.83 115.58 113.93 1r3b h ASN 68 Ca 0.37 -0.43 0.03 0.00 0.71 0.00 0.00 56.30 56.99 1r3b h ASN 68 Cb 0.16 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 1r3b h ASN 68 CO -0.17 1.02 0.28 -0.03 -1.29 0.00 0.00 177.43 177.24 1r3b h MET 69 N 0.50 0.43 0.50 6.67 4.05 0.08 -1.29 114.93 125.87 1r3b h MET 69 Ca 0.07 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 1r3b h MET 69 Cb 0.75 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 1r3b h MET 69 CO 0.06 0.28 -0.24 -0.07 0.23 0.00 0.00 176.91 177.17 1r3b h LEU 70 N 0.44 -0.57 -2.13 3.39 3.38 -1.04 -3.04 115.31 115.72 1r3b h LEU 70 Ca 0.17 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.16 1r3b h LEU 70 Cb 0.12 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1r3b h LEU 70 CO -0.04 -0.18 0.25 0.22 0.09 0.00 0.00 178.44 178.78 1r3b h TYR 71 N -1.07 0.00 0.00 1.13 3.20 -1.30 0.21 116.97 119.14 1r3b h TYR 71 Ca -0.07 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 1r3b h TYR 71 Cb 0.59 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1r3b h TYR 71 CO 0.01 0.00 -0.21 0.78 -1.64 0.00 0.00 178.16 177.10 1r3b h GLY 72 N 0.00 0.00 1.66 1.82 0.00 -1.13 1.07 103.07 106.49 1r3b h GLY 72 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 1r3b h GLY 72 CO -0.00 0.00 -0.48 -0.91 0.00 0.00 0.00 176.54 175.15 1r3b h THR 73 N 0.00 0.22 0.00 4.70 1.35 -0.93 -3.34 112.91 114.91 1r3b h THR 73 Ca -0.00 -1.34 -0.03 0.00 -0.55 0.00 0.00 66.41 64.49 1r3b h THR 73 Cb 0.40 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 1r3b h THR 73 CO 0.03 0.13 -1.79 0.00 -0.25 0.00 0.00 175.52 173.63 1r3b n ILE 74 N -3.00 0.13 0.14 6.82 0.00 -0.88 -4.43 119.36 118.12 1r3b n ILE 74 Ca 0.01 -0.41 0.19 0.00 0.00 0.00 0.00 62.75 62.55 1r3b n ILE 74 Cb 0.60 0.04 0.76 0.00 0.00 0.00 0.00 39.64 41.04 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 0.32 0.00 9.51 1.03 0.10 0.38 112.91 124.26 1r3b h THR 75 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 1r3b h THR 75 Cb 0.90 0.66 0.00 0.00 -1.07 0.00 0.00 68.15 68.64 1r3b h THR 75 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 175.52 176.56 1r3b h GLU 76 N 0.00 0.00 0.00 0.00 4.11 -1.77 -2.83 114.58 114.09 1r3b h GLU 76 Ca 0.16 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.48 1r3b h GLU 76 Cb 0.98 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1r3b h GLU 76 CO -0.00 0.00 -0.52 0.74 0.07 0.00 0.00 179.01 179.30 1r3b h PHE 77 N 0.00 0.00 -1.79 2.06 0.04 -0.53 -3.46 116.94 113.27 1r3b h PHE 77 Ca 0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1r3b h PHE 77 Cb 0.44 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.62 1r3b h PHE 77 CO 0.00 0.52 0.02 0.00 -0.60 0.00 0.00 178.31 178.25 1r3b n THR 79 N -2.93 0.00 -0.06 0.00 -1.04 -1.26 -5.09 114.28 103.90 1r3b n THR 79 Ca 0.03 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.00 1r3b n THR 79 Cb 0.10 -0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 68.20 1r3b n THR 79 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1r3b h GLU 80 N 0.00 0.00 0.41 -2.82 3.07 -1.98 -3.42 114.58 109.83 1r3b h GLU 80 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1r3b h GLU 80 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1r3b h GLU 80 CO 0.00 0.09 -0.20 1.03 -1.40 0.00 0.00 179.01 178.54 1r3b h SER 81 N -1.00 -0.46 0.00 1.42 0.87 -2.01 -3.41 113.55 108.95 1r3b h SER 81 Ca -0.02 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1r3b h SER 81 Cb 0.34 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1r3b h SER 81 CO -0.01 -0.14 0.00 0.41 -0.53 0.00 0.00 176.83 176.56 1r3b n THR 82 N -4.55 0.00 -3.60 2.23 -1.04 -1.26 -3.74 114.28 102.32 1r3b n THR 82 Ca -0.07 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.89 1r3b n THR 82 Cb 0.22 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.69 1r3b n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r3b n SER 84 N 0.25 4.68 -4.29 0.00 2.88 -1.26 -2.10 113.62 113.77 1r3b n SER 84 Ca -0.02 -3.68 -0.34 0.00 -1.33 0.00 0.00 58.87 53.50 1r3b n SER 84 Cb 0.58 -0.42 -0.15 0.00 -0.75 0.00 0.00 64.21 63.48 1r3b n SER 84 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1r3b s VAL 85 N -5.09 2.91 -0.36 2.46 1.01 -1.26 -5.06 120.40 115.00 1r3b s VAL 85 Ca 0.48 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 1r3b s VAL 85 Cb 0.40 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.56 1r3b s VAL 85 CO -0.09 0.50 0.17 -0.04 0.00 0.00 0.00 175.10 175.64 1r3b s MET 86 N 0.89 2.74 -0.11 2.72 1.00 -1.26 -5.01 119.30 120.26 1r3b s MET 86 Ca -0.03 -1.13 -0.09 0.00 0.00 0.00 0.00 55.69 54.44 1r3b s MET 86 Cb -0.15 -3.64 0.03 0.00 0.00 0.00 0.00 34.83 31.07 1r3b s MET 86 CO -0.00 -0.70 0.29 -1.54 0.00 0.00 0.00 175.02 173.07 1r3b s SER 87 N 1.51 -0.31 -0.31 3.03 1.04 -1.25 -2.11 113.70 115.30 1r3b s SER 87 Ca 0.01 0.60 -0.03 0.00 0.48 0.00 0.00 55.95 57.00 1r3b s SER 87 Cb -0.19 0.57 0.19 0.00 0.10 0.00 0.00 66.02 66.69 1r3b s SER 87 CO 0.05 -0.12 0.85 0.00 0.98 0.00 0.00 173.24 175.01 1r3b s ALA 88 N 0.47 -3.39 0.00 5.32 0.00 -1.26 -4.75 121.76 118.15 1r3b s ALA 88 Ca -0.03 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1r3b s ALA 88 Cb -0.04 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1r3b s ALA 88 CO -0.02 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.08 1r3b n GLY 89 N 4.98 0.72 0.14 0.00 0.00 -1.26 -4.65 105.19 105.11 1r3b n GLY 89 Ca 0.08 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 1r3b n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b h PRO 90 N 0.00 0.38 0.00 1.61 0.13 -2.04 -3.47 132.00 128.61 1r3b h PRO 90 Ca 0.00 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1r3b h PRO 90 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1r3b h PRO 90 CO 0.00 0.87 0.00 0.54 -0.23 0.00 0.00 178.00 179.18 1r3b n ARG 91 N -4.44 0.00 -4.39 0.86 3.00 -1.26 -5.15 116.66 105.28 1r3b n ARG 91 Ca -0.07 0.00 -0.21 0.00 -0.01 0.00 0.00 57.85 57.56 1r3b n ARG 91 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.82 1r3b n ARG 91 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1r3b s TYR 92 N -1.54 1.94 0.10 -1.55 1.13 -1.26 -4.15 117.35 112.01 1r3b s TYR 92 Ca 0.00 -0.47 -0.25 0.00 -1.41 0.00 0.00 57.07 54.94 1r3b s TYR 92 Cb 0.00 -0.89 0.07 0.00 -1.10 0.00 0.00 41.96 40.04 1r3b s TYR 92 CO 0.00 0.48 0.63 -2.00 -2.51 0.00 0.00 175.55 172.15 1r3b s GLU 93 N -3.45 1.21 0.08 -3.49 2.56 -0.90 -4.43 118.70 110.28 1r3b s GLU 93 Ca 0.24 -0.27 -0.27 0.00 0.00 0.00 0.00 54.97 54.67 1r3b s GLU 93 Cb -0.03 0.56 0.09 0.00 2.00 0.00 0.00 34.13 36.75 1r3b s GLU 93 CO 0.10 -0.49 1.12 1.52 -0.56 0.00 0.00 175.26 176.94 1r3b s TYR 94 N -3.05 -0.08 0.34 5.30 -0.85 -1.26 -3.79 117.35 113.95 1r3b s TYR 94 Ca -0.02 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 1r3b s TYR 94 Cb -0.01 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.93 1r3b s TYR 94 CO -0.07 -0.57 0.00 0.72 -1.52 0.00 0.00 175.55 174.11 1r3b n HIS 95 N -0.49 -3.57 0.03 -3.49 8.25 -1.26 -4.94 115.22 109.75 1r3b n HIS 95 Ca -0.07 1.78 0.00 0.00 -0.26 0.00 0.00 57.72 59.17 1r3b n HIS 95 Cb 0.62 -3.24 0.00 0.00 1.12 0.00 0.00 29.99 28.49 1r3b n HIS 95 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1r3b n TRP 96 N -4.20 -0.15 -3.78 4.41 5.03 -1.26 -5.12 117.44 112.37 1r3b n TRP 96 Ca 0.01 0.03 -0.13 0.00 3.03 0.00 0.00 57.50 60.44 1r3b n TRP 96 Cb 0.65 0.07 -0.09 0.00 -1.03 0.00 0.00 31.31 30.91 1r3b n TRP 96 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1r3b s ALA 97 N -2.00 -0.69 -0.59 6.99 0.00 -1.26 -5.12 121.76 119.09 1r3b s ALA 97 Ca 0.00 0.30 -0.16 0.00 0.00 0.00 0.00 51.96 52.09 1r3b s ALA 97 Cb 0.00 0.01 0.14 0.00 0.00 0.00 0.00 23.12 23.27 1r3b s ALA 97 CO 0.00 -0.24 0.58 -0.51 0.00 0.00 0.00 175.76 175.60 1r3b s ASP 98 N -1.15 6.27 0.00 0.00 1.01 -1.26 -4.66 116.67 116.87 1r3b s ASP 98 Ca -0.12 -1.83 0.00 0.00 0.71 0.00 0.00 52.55 51.31 1r3b s ASP 98 Cb -0.05 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.64 1r3b s ASP 98 CO 0.03 -0.88 0.00 0.61 0.21 0.00 0.00 175.17 175.14 1r3b n GLY 99 N 5.11 -1.63 2.63 0.21 0.00 -1.26 -4.96 105.19 105.29 1r3b n GLY 99 Ca -0.09 0.96 -0.21 0.00 0.00 0.00 0.00 46.02 46.68 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 -1.37 -3.97 2.61 -1.04 -1.26 -4.98 114.28 104.27 1r3b n THR 100 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 1r3b n THR 100 Cb 0.00 -3.13 -0.16 0.00 -1.82 0.00 0.00 70.33 65.23 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 -2.34 3.53 0.55 8.00 3.84 -1.26 -5.05 114.94 122.20 1r3b s ASN 101 Ca 0.12 -0.98 0.00 0.00 0.21 0.00 0.00 52.86 52.21 1r3b s ASN 101 Cb -0.05 -1.19 0.00 0.00 -0.55 0.00 0.00 41.25 39.46 1r3b s ASN 101 CO 0.15 -0.18 0.00 -0.38 -2.79 0.00 0.00 177.10 173.90 1r3b n ILE 102 N 4.69 -1.57 0.00 -5.21 -0.00 -1.26 -4.95 119.36 111.06 1r3b n ILE 102 Ca -0.13 1.04 0.00 0.00 -0.00 0.00 0.00 62.75 63.66 1r3b n ILE 102 Cb 0.46 -1.65 0.00 0.00 -0.00 0.00 0.00 39.64 38.44 1r3b n ILE 102 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 1r3b n LYS 103 N -3.45 0.00 -3.98 0.38 2.85 -1.26 -5.02 118.16 107.69 1r3b n LYS 103 Ca -0.05 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.91 1r3b n LYS 103 Cb 0.54 -0.28 -0.05 0.00 -0.65 0.00 0.00 35.03 34.59 1r3b n LYS 103 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1r3b s LYS 104 N -1.72 3.21 0.51 -1.58 1.02 -1.26 -5.09 119.74 114.82 1r3b s LYS 104 Ca 0.00 -0.58 -0.21 0.00 0.02 0.00 0.00 55.97 55.20 1r3b s LYS 104 Cb 0.00 -2.90 -0.06 0.00 -0.52 0.00 0.00 37.83 34.35 1r3b s LYS 104 CO 0.00 0.57 1.15 -1.25 -0.92 0.00 0.00 175.35 174.90 1r3b s PRO 105 N -2.61 3.53 0.03 -1.68 0.04 -1.26 -5.06 135.00 127.99 1r3b s PRO 105 Ca 0.33 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1r3b s PRO 105 Cb -0.12 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1r3b s PRO 105 CO 0.26 -0.73 -0.04 0.96 0.04 0.00 0.00 177.00 177.49 1r3b s ILE 106 N -1.66 0.26 0.16 0.56 -5.25 -1.26 -5.16 121.20 108.84 1r3b s ILE 106 Ca 0.69 -1.13 -0.07 0.00 -0.99 0.00 0.00 60.65 59.14 1r3b s ILE 106 Cb -0.26 -0.60 -0.06 0.00 2.95 0.00 0.00 42.46 44.49 1r3b s ILE 106 CO 0.31 -0.56 0.43 -1.59 -1.79 0.00 0.00 174.94 171.73 1r3b s LYS 107 N -1.96 3.70 -0.27 0.37 -2.85 -1.26 -5.09 119.74 112.37 1r3b s LYS 107 Ca -0.10 0.07 -0.14 0.00 -1.00 0.00 0.00 55.97 54.80 1r3b s LYS 107 Cb -0.07 -2.82 0.09 0.00 -2.06 0.00 0.00 37.83 32.98 1r3b s LYS 107 CO -0.02 0.44 0.65 0.00 0.10 0.00 0.00 175.35 176.52 1r3b n SER 109 N 4.63 0.00 0.46 0.00 7.64 -1.26 -4.61 113.62 120.48 1r3b n SER 109 Ca -0.18 -0.54 -0.19 0.00 1.01 0.00 0.00 58.87 58.97 1r3b n SER 109 Cb 0.56 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.67 1r3b n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r3b h ALA 110 N -1.23 -1.18 -0.01 -0.43 0.00 -1.51 0.90 119.26 115.81 1r3b h ALA 110 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1r3b h ALA 110 Cb 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1r3b h ALA 110 CO 0.00 -1.14 0.01 -1.00 0.00 0.00 0.00 179.25 177.12 1r3b h PRO 111 N -1.22 0.00 0.15 0.00 0.13 -1.85 0.21 132.00 129.42 1r3b h PRO 111 Ca -0.12 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.77 1r3b h PRO 111 Cb 0.91 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.05 1r3b h PRO 111 CO 0.20 0.00 -1.11 -0.22 -0.23 0.00 0.00 178.00 176.64 1r3b h LYS 112 N 0.00 0.31 -0.47 0.86 3.11 -1.87 -3.22 116.57 115.29 1r3b h LYS 112 Ca 0.00 -0.54 -0.03 0.00 -2.81 0.00 0.00 60.65 57.28 1r3b h LYS 112 Cb 0.01 0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.42 1r3b h LYS 112 CO -0.00 1.26 0.20 -0.92 -2.81 0.00 0.00 179.45 177.17 1r3b h TYR 113 N -0.28 0.72 -0.97 1.91 3.20 0.12 -2.51 116.97 119.16 1r3b h TYR 113 Ca -0.21 -0.05 0.10 0.00 3.14 0.00 0.00 58.73 61.71 1r3b h TYR 113 Cb 1.76 -0.22 -0.07 0.00 1.54 0.00 0.00 36.73 39.74 1r3b h TYR 113 CO 0.16 0.60 0.62 0.97 -1.64 0.00 0.00 178.16 178.87 1r3b h ILE 114 N 0.62 0.97 -0.57 1.81 2.10 -1.10 -0.60 117.51 120.75 1r3b h ILE 114 Ca 0.16 -0.34 -0.03 0.00 1.08 0.00 0.00 64.86 65.73 1r3b h ILE 114 Cb 0.18 -0.11 -0.03 0.00 -1.09 0.00 0.00 36.82 35.77 1r3b h ILE 114 CO -0.01 0.18 0.24 -0.78 -1.08 0.00 0.00 178.15 176.70 1r3b h ASP 115 N 0.99 0.77 -0.75 2.19 1.82 -1.47 -1.85 116.42 118.12 1r3b h ASP 115 Ca 0.46 -0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.91 1r3b h ASP 115 Cb 0.40 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.18 1r3b h ASP 115 CO -0.22 0.72 0.38 1.88 -1.61 0.00 0.00 179.24 180.39 1r3b h TYR 116 N 0.77 1.07 -0.62 0.28 0.05 -0.77 0.17 116.97 117.92 1r3b h TYR 116 Ca 0.19 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.93 1r3b h TYR 116 Cb 0.18 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 1r3b h TYR 116 CO 0.01 0.77 0.41 1.25 -1.05 0.00 0.00 178.16 179.55 1r3b h LEU 117 N 1.05 0.72 -0.49 3.88 5.85 -0.81 -0.42 115.31 125.10 1r3b h LEU 117 Ca 0.26 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.80 1r3b h LEU 117 Cb 0.09 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1r3b h LEU 117 CO -0.04 0.52 -0.58 0.24 -0.34 0.00 0.00 178.44 178.25 1r3b h MET 118 N 0.85 0.56 0.71 1.25 2.86 -0.96 -2.87 114.93 117.33 1r3b h MET 118 Ca 0.23 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1r3b h MET 118 Cb -0.10 0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.62 1r3b h MET 118 CO -0.05 0.98 -0.34 1.15 1.06 0.00 0.00 176.91 179.70 1r3b h THR 119 N 0.42 0.27 -0.91 2.22 2.02 -0.21 0.82 112.91 117.53 1r3b h THR 119 Ca 0.00 -0.08 0.17 0.00 0.77 0.00 0.00 66.41 67.27 1r3b h THR 119 Cb 1.13 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 67.75 1r3b h THR 119 CO 0.11 0.01 0.59 -0.25 0.37 0.00 0.00 175.52 176.35 1r3b h TRP 120 N -1.02 0.75 -0.13 3.16 7.01 -1.15 0.41 115.95 124.99 1r3b h TRP 120 Ca -0.10 0.02 -0.19 0.00 2.11 0.00 0.00 58.89 60.73 1r3b h TRP 120 Cb 0.75 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 1r3b h TRP 120 CO -0.01 0.23 -0.71 0.28 -2.79 0.00 0.00 178.44 175.43 1r3b h VAL 121 N 0.59 1.33 0.00 2.65 2.07 -1.26 -3.16 116.25 118.48 1r3b h VAL 121 Ca 0.48 -2.02 -0.15 0.00 0.82 0.00 0.00 66.70 65.83 1r3b h VAL 121 Cb 0.93 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1r3b h VAL 121 CO -0.22 0.62 -0.70 -0.61 0.02 0.00 0.00 177.57 176.68 1r3b h GLN 122 N 0.40 0.00 -0.10 1.57 5.75 0.12 -3.18 115.11 119.66 1r3b h GLN 122 Ca -0.03 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.39 1r3b h GLN 122 Cb 1.30 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.84 1r3b h GLN 122 CO 0.13 0.70 -0.28 0.22 -2.65 0.00 0.00 178.83 176.95 1r3b h ASP 123 N 0.00 0.18 -0.10 -0.69 1.82 -0.27 -2.79 116.42 114.57 1r3b h ASP 123 Ca -0.01 -0.05 -0.16 0.00 -0.39 0.00 0.00 57.03 56.42 1r3b h ASP 123 Cb 1.34 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 41.31 1r3b h ASP 123 CO 0.09 0.46 -0.57 1.56 -1.61 0.00 0.00 179.24 179.17 1r3b h GLN 124 N 0.16 0.56 0.00 0.28 4.20 -1.53 0.30 115.11 119.08 1r3b h GLN 124 Ca 0.03 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1r3b h GLN 124 Cb 0.59 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1r3b h GLN 124 CO 0.04 1.10 0.00 -0.07 -0.67 0.00 0.00 178.83 179.23 1r3b h LEU 125 N 0.17 0.00 -1.51 1.46 3.38 -1.52 -0.08 115.31 117.20 1r3b h LEU 125 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1r3b h LEU 125 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1r3b h LEU 125 CO 0.12 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.98 1r3b n ASP 126 N -2.71 1.85 -3.92 -0.43 2.03 -1.07 -4.83 116.55 107.47 1r3b n ASP 126 Ca -0.01 -1.44 -0.30 0.00 0.52 0.00 0.00 54.79 53.56 1r3b n ASP 126 Cb 0.11 -0.02 -0.14 0.00 -0.72 0.00 0.00 41.12 40.35 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 -0.77 4.23 0.58 1.67 1.11 0.10 -4.93 116.67 118.66 1r3b s ASP 127 Ca 0.11 -2.92 0.37 0.00 0.18 0.00 0.00 52.55 50.29 1r3b s ASP 127 Cb 0.08 -1.55 2.00 0.00 1.07 0.00 0.00 42.92 44.52 1r3b s ASP 127 CO 0.11 -0.24 2.12 -0.08 1.18 0.00 0.00 175.17 178.27 1r3b h GLU 128 N 6.57 0.00 -0.50 8.23 4.81 -1.87 -2.51 114.58 129.31 1r3b h GLU 128 Ca -0.07 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.31 1r3b h GLU 128 Cb 0.90 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1r3b h GLU 128 CO 0.65 0.00 0.55 1.79 -0.73 0.00 0.00 179.01 181.27 1r3b h THR 129 N 0.00 0.32 -0.00 0.32 1.35 -1.91 0.10 112.91 113.09 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 0.12 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 1r3b h THR 129 CO 0.00 0.00 -0.24 0.00 -0.25 0.00 0.00 175.52 175.03 1r3b n LEU 130 N -3.66 0.75 -4.69 3.87 -0.00 -0.95 -5.01 117.00 107.32 1r3b n LEU 130 Ca 0.10 -0.65 -0.30 0.00 -0.00 0.00 0.00 56.01 55.15 1r3b n LEU 130 Cb 0.75 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 44.09 1r3b n LEU 130 CO 0.27 0.16 -0.33 -0.36 -0.00 0.00 0.00 177.39 177.13 1r3b s PHE 131 N -1.39 3.00 0.00 1.47 0.08 0.36 -4.79 117.98 116.70 1r3b s PHE 131 Ca 0.05 -0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.09 1r3b s PHE 131 Cb 0.06 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.95 1r3b s PHE 131 CO 0.24 0.48 0.05 -0.35 -0.10 0.00 0.00 175.22 175.53 1r3b n PRO 132 N 0.69 0.00 -2.33 0.24 -0.04 -1.26 -4.78 135.00 127.51 1r3b n PRO 132 Ca -0.11 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.26 1r3b n PRO 132 Cb 0.52 -0.39 -0.01 0.00 -0.04 0.00 0.00 33.50 33.58 1r3b n PRO 132 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1r3b n SER 133 N -0.07 -2.93 -3.60 3.54 7.64 -1.26 -4.85 113.62 112.09 1r3b n SER 133 Ca 0.00 0.28 -0.07 0.00 1.01 0.00 0.00 58.87 60.09 1r3b n SER 133 Cb 0.00 -2.57 -0.02 0.00 -1.01 0.00 0.00 64.21 60.61 1r3b n SER 133 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1r3b s LYS 134 N -4.78 1.02 0.57 1.43 2.20 -1.26 -5.16 119.74 113.76 1r3b s LYS 134 Ca 0.00 -0.46 -0.17 0.00 -0.36 0.00 0.00 55.97 54.98 1r3b s LYS 134 Cb 0.00 0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 1r3b s LYS 134 CO 0.00 -0.46 1.07 -1.50 -0.36 0.00 0.00 175.35 174.11 1r3b s ILE 135 N -3.25 3.61 0.00 5.43 2.07 -1.26 -4.02 121.20 123.77 1r3b s ILE 135 Ca 0.07 0.84 0.00 0.00 -1.41 0.00 0.00 60.65 60.16 1r3b s ILE 135 Cb -0.01 -3.33 0.00 0.00 0.13 0.00 0.00 42.46 39.24 1r3b s ILE 135 CO -0.05 -0.37 0.00 0.61 -1.91 0.00 0.00 174.94 173.22 1r3b n GLY 136 N -0.57 2.30 3.75 1.50 0.00 -1.26 -5.01 105.19 105.89 1r3b n GLY 136 Ca 0.10 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 2.10 -0.28 1.61 -7.23 -1.26 -4.95 120.40 110.39 1r3b s VAL 137 Ca 0.00 0.07 -0.26 0.00 -1.81 0.00 0.00 61.98 59.98 1r3b s VAL 137 Cb 0.00 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.91 1r3b s VAL 137 CO 0.00 -0.00 0.90 -2.16 -0.31 0.00 0.00 175.10 173.53 1r3b s PRO 138 N -3.04 4.09 -0.13 4.82 0.04 -1.26 -4.93 135.00 134.60 1r3b s PRO 138 Ca 0.74 0.92 -0.18 0.00 0.04 0.00 0.00 61.00 62.52 1r3b s PRO 138 Cb -0.39 -3.69 -0.26 0.00 0.04 0.00 0.00 34.50 30.20 1r3b s PRO 138 CO 0.45 -0.68 0.52 0.35 0.04 0.00 0.00 177.00 177.68 1r3b h PHE 139 N 7.89 0.31 -0.26 0.56 3.04 -1.93 -3.01 116.94 123.53 1r3b h PHE 139 Ca -0.22 -0.22 -0.15 0.00 3.98 0.00 0.00 57.97 61.36 1r3b h PHE 139 Cb 1.08 -0.01 -0.08 0.00 2.56 0.00 0.00 35.95 39.50 1r3b h PHE 139 CO 0.78 1.47 0.19 -0.35 -2.02 0.00 0.00 178.31 178.38 1r3b n PRO 140 N -4.10 1.35 0.11 6.41 -0.04 -1.26 -3.00 135.00 134.48 1r3b n PRO 140 Ca -0.24 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1r3b n PRO 140 Cb 0.81 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 0.21 0.00 0.13 0.54 5.02 -1.26 -4.85 118.16 117.94 1r3b n LYS 141 Ca 0.16 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.35 1r3b n LYS 141 Cb 0.76 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.72 1r3b n LYS 141 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1r3b h ASN 142 N 0.00 -0.33 -0.82 4.39 4.21 -1.71 -2.18 115.58 119.14 1r3b h ASN 142 Ca 0.00 -0.15 0.09 0.00 1.21 0.00 0.00 56.30 57.44 1r3b h ASN 142 Cb 0.00 0.09 -0.07 0.00 -1.12 0.00 0.00 38.32 37.22 1r3b h ASN 142 CO 0.00 0.15 0.47 0.15 -1.29 0.00 0.00 177.43 176.91 1r3b h PHE 143 N -1.00 0.86 0.49 1.19 3.04 -1.58 0.86 116.94 120.80 1r3b h PHE 143 Ca -0.04 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 1r3b h PHE 143 Cb 0.47 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.72 1r3b h PHE 143 CO 0.04 0.37 -0.23 0.52 -2.02 0.00 0.00 178.31 176.99 1r3b h MET 144 N 0.81 -0.63 -0.26 1.11 2.86 -1.62 0.95 114.93 118.16 1r3b h MET 144 Ca 0.38 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 58.05 1r3b h MET 144 Cb 0.31 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1r3b h MET 144 CO -0.23 -0.40 0.08 1.03 1.06 0.00 0.00 176.91 178.46 1r3b h SER 145 N -0.71 0.38 -0.17 1.22 0.87 -1.02 -0.78 113.55 113.33 1r3b h SER 145 Ca -0.07 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.25 1r3b h SER 145 Cb 0.53 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1r3b h SER 145 CO 0.11 0.47 -0.03 0.58 -0.53 0.00 0.00 176.83 177.44 1r3b h VAL 146 N 0.26 1.19 0.00 2.23 2.07 0.78 -2.58 116.25 120.20 1r3b h VAL 146 Ca 0.08 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1r3b h VAL 146 Cb 0.23 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1r3b h VAL 146 CO -0.00 0.26 -0.00 0.00 0.02 0.00 0.00 177.57 177.85 1r3b h ALA 147 N 1.53 -0.00 -0.01 1.67 0.00 0.13 -2.91 119.26 119.67 1r3b h ALA 147 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1r3b h ALA 147 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1r3b h ALA 147 CO 0.01 -0.28 0.06 0.87 0.00 0.00 0.00 179.25 179.91 1r3b h LYS 148 N -0.45 0.00 0.13 0.00 1.57 -1.00 -2.36 116.57 114.47 1r3b h LYS 148 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1r3b h LYS 148 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1r3b h LYS 148 CO 0.00 0.00 -0.06 1.15 -0.57 0.00 0.00 179.45 179.97 1r3b h THR 149 N 0.00 0.90 0.00 -0.16 2.02 -1.25 -2.44 112.91 111.99 1r3b h THR 149 Ca 0.00 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 1r3b h THR 149 Cb 0.13 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1r3b h THR 149 CO -0.00 0.03 -0.14 0.16 0.37 0.00 0.00 175.52 175.94 1r3b h ILE 150 N -0.24 1.60 -0.98 3.11 3.07 -1.53 -3.22 117.51 119.33 1r3b h ILE 150 Ca -0.02 -1.94 0.28 0.00 1.55 0.00 0.00 64.86 64.73 1r3b h ILE 150 Cb 0.19 2.87 -0.04 0.00 -0.27 0.00 0.00 36.82 39.56 1r3b h ILE 150 CO 0.03 0.52 0.76 -0.07 -1.05 0.00 0.00 178.15 178.34 1r3b h LEU 151 N -0.65 0.00 -0.08 0.16 3.38 -1.53 0.44 115.31 117.03 1r3b h LEU 151 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1r3b h LEU 151 Cb 0.93 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.69 1r3b h LEU 151 CO 0.03 0.00 -0.58 0.11 0.09 0.00 0.00 178.44 178.09 1r3b h LYS 152 N 0.00 0.53 -0.04 1.13 1.57 -1.47 -2.82 116.57 115.47 1r3b h LYS 152 Ca 0.46 -0.47 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1r3b h LYS 152 Cb 1.99 0.11 0.02 0.00 0.08 0.00 0.00 32.23 34.43 1r3b h LYS 152 CO -0.00 1.10 -0.97 0.00 -0.57 0.00 0.00 179.45 179.00 1r3b h ARG 153 N 0.12 0.74 0.02 3.15 -0.00 -0.53 -2.98 114.38 114.90 1r3b h ARG 153 Ca -0.05 -0.73 -0.00 0.00 -0.50 0.00 0.00 59.98 58.70 1r3b h ARG 153 Cb 1.24 0.19 -0.00 0.00 0.00 0.00 0.00 29.97 31.41 1r3b h ARG 153 CO 0.12 1.31 -0.01 -0.07 0.00 0.00 0.00 179.97 181.32 1r3b h LEU 154 N 0.44 -0.03 -1.83 3.04 3.38 -0.42 -2.06 115.31 117.83 1r3b h LEU 154 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1r3b h LEU 154 Cb 1.62 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 1r3b h LEU 154 CO 0.19 -0.02 0.01 0.15 0.09 0.00 0.00 178.44 178.86 1r3b h PHE 155 N -0.03 0.11 -0.31 1.13 3.04 -1.60 -1.48 116.94 117.80 1r3b h PHE 155 Ca -0.00 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.04 1r3b h PHE 155 Cb 0.03 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1r3b h PHE 155 CO -0.08 0.11 0.26 -0.09 -2.02 0.00 0.00 178.31 176.49 1r3b h ARG 156 N 0.11 0.00 -0.98 1.11 9.65 -1.21 -1.86 114.38 121.21 1r3b h ARG 156 Ca 0.03 0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.10 1r3b h ARG 156 Cb 0.07 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.55 1r3b h ARG 156 CO -0.00 0.00 0.61 0.28 2.80 0.00 0.00 179.97 183.66 1r3b h VAL 157 N 0.00 0.70 -0.28 0.20 2.07 -1.22 -0.73 116.25 116.98 1r3b h VAL 157 Ca 0.15 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1r3b h VAL 157 Cb 0.66 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1r3b h VAL 157 CO -0.00 0.12 -0.00 1.88 0.02 0.00 0.00 177.57 179.59 1r3b h TYR 158 N 0.67 -0.02 -0.92 1.57 0.05 -1.53 0.57 116.97 117.36 1r3b h TYR 158 Ca 0.55 0.02 0.10 0.00 0.05 0.00 0.00 58.73 59.45 1r3b h TYR 158 Cb 0.98 0.05 -0.07 0.00 1.01 0.00 0.00 36.73 38.70 1r3b h TYR 158 CO -0.00 -0.05 0.59 0.00 -1.05 0.00 0.00 178.16 177.65 1r3b h ALA 159 N 1.24 1.61 0.28 3.88 0.00 -1.30 0.39 119.26 125.37 1r3b h ALA 159 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1r3b h ALA 159 Cb 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1r3b h ALA 159 CO -0.23 0.19 -0.14 0.45 0.00 0.00 0.00 179.25 179.53 1r3b h HIS 160 N 0.91 -0.35 -0.78 0.00 3.86 -1.04 -3.12 115.15 114.62 1r3b h HIS 160 Ca 0.43 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.75 1r3b h HIS 160 Cb 0.43 0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.97 1r3b h HIS 160 CO -0.00 -0.01 0.51 -0.84 0.86 0.00 0.00 177.93 178.45 1r3b h ILE 161 N -0.93 0.89 0.60 2.45 3.07 -0.71 0.26 117.51 123.14 1r3b h ILE 161 Ca -0.04 -0.22 -0.02 0.00 1.55 0.00 0.00 64.86 66.13 1r3b h ILE 161 Cb 0.50 0.21 -0.01 0.00 -0.27 0.00 0.00 36.82 37.25 1r3b h ILE 161 CO 0.06 0.12 -0.43 1.88 -1.05 0.00 0.00 178.15 178.73 1r3b h TYR 162 N 0.63 -1.15 0.00 0.16 -1.99 -0.97 1.21 116.97 114.87 1r3b h TYR 162 Ca 0.37 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.10 1r3b h TYR 162 Cb 0.58 0.42 0.00 0.00 2.00 0.00 0.00 36.73 39.73 1r3b h TYR 162 CO -0.00 -0.62 0.00 1.12 -0.00 0.00 0.00 178.16 178.66 1r3b h HIS 163 N -0.99 0.00 0.00 4.88 2.07 -1.40 -2.67 115.15 117.05 1r3b h HIS 163 Ca -0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.45 1r3b h HIS 163 Cb 0.82 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.80 1r3b h HIS 163 CO -0.15 0.00 -0.31 1.96 -3.07 0.00 0.00 177.93 176.37 1r3b h GLN 164 N 0.00 0.00 -2.09 5.12 1.08 0.13 -3.44 115.11 115.90 1r3b h GLN 164 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 1r3b h GLN 164 Cb 0.55 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.58 1r3b h GLN 164 CO 0.00 0.00 -0.93 -2.39 -0.95 0.00 0.00 178.83 174.56 1r3b n HIS 165 N -3.91 1.49 -0.09 2.96 1.44 0.41 -4.91 115.22 112.60 1r3b n HIS 165 Ca -0.04 -3.84 -0.12 0.00 -2.01 0.00 0.00 57.72 51.71 1r3b n HIS 165 Cb 0.16 -0.44 -0.04 0.00 0.12 0.00 0.00 29.99 29.79 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 3.61 0.60 -0.86 -1.40 3.04 -1.34 -2.93 116.94 117.65 1r3b h PHE 166 Ca 0.12 -0.13 0.12 0.00 3.98 0.00 0.00 57.97 62.06 1r3b h PHE 166 Cb 0.79 -0.14 -0.07 0.00 2.56 0.00 0.00 35.95 39.09 1r3b h PHE 166 CO 0.56 0.75 0.56 0.22 -2.02 0.00 0.00 178.31 178.37 1r3b h ASP 167 N 0.28 0.68 -0.57 0.41 3.58 -1.91 0.92 116.42 119.82 1r3b h ASP 167 Ca 0.07 0.03 0.12 0.00 0.42 0.00 0.00 57.03 57.67 1r3b h ASP 167 Cb 0.56 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 1r3b h ASP 167 CO 0.03 0.37 0.39 0.00 -2.88 0.00 0.00 179.24 177.15 1r3b h ALA 168 N 1.59 2.18 0.18 -0.78 0.00 -1.91 0.74 119.26 121.26 1r3b h ALA 168 Ca 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1r3b h ALA 168 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1r3b h ALA 168 CO -0.18 -0.33 -0.09 0.28 0.00 0.00 0.00 179.25 178.93 1r3b h VAL 169 N 0.26 0.93 -0.07 0.00 2.07 -0.86 -2.75 116.25 115.83 1r3b h VAL 169 Ca 0.27 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1r3b h VAL 169 Cb 0.71 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1r3b h VAL 169 CO -0.06 0.18 -0.32 0.24 0.02 0.00 0.00 177.57 177.63 1r3b h MET 170 N -0.66 0.12 0.00 1.57 2.07 -1.28 -2.39 114.93 114.37 1r3b h MET 170 Ca -0.03 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.54 1r3b h MET 170 Cb 0.48 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.19 1r3b h MET 170 CO 0.04 0.44 -0.07 1.96 1.07 0.00 0.00 176.91 180.34 1r3b h GLN 171 N 0.11 0.00 -1.51 1.72 4.20 0.52 -2.38 115.11 117.77 1r3b h GLN 171 Ca 0.01 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.36 1r3b h GLN 171 Cb 0.62 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.25 1r3b h GLN 171 CO 0.05 0.07 0.46 1.28 -0.67 0.00 0.00 178.83 180.02 1r3b n LEU 172 N -4.29 6.59 -3.42 1.46 4.77 -0.91 -4.81 117.00 116.39 1r3b n LEU 172 Ca -0.03 -3.45 -0.18 0.00 -0.03 0.00 0.00 56.01 52.32 1r3b n LEU 172 Cb 0.15 -1.07 0.07 0.00 -2.33 0.00 0.00 43.42 40.25 1r3b n LEU 172 CO 0.34 1.29 0.03 0.00 -1.33 0.00 0.00 177.39 177.71 1r3b n GLN 173 N 0.28 -3.91 0.00 3.23 3.00 -0.92 -2.51 117.38 116.55 1r3b n GLN 173 Ca 0.34 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 58.12 1r3b n GLN 173 Cb 0.58 -5.57 0.00 0.00 0.00 0.00 0.00 30.24 25.26 1r3b n GLN 173 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1r3b n GLU 174 N -3.77 0.00 -1.72 -1.09 2.13 -1.05 -4.46 120.64 110.68 1r3b n GLU 174 Ca -0.18 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.64 1r3b n GLU 174 Cb 0.64 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.35 1r3b n GLU 174 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1r3b n GLU 175 N 0.00 -0.25 0.19 5.31 4.07 -1.04 -4.36 120.64 124.56 1r3b n GLU 175 Ca 0.00 0.68 0.18 0.00 -0.06 0.00 0.00 57.16 57.96 1r3b n GLU 175 Cb 0.00 -2.13 0.81 0.00 -0.06 0.00 0.00 31.44 30.06 1r3b n GLU 175 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1r3b h ALA 176 N 0.14 1.81 -0.63 4.31 0.00 -1.84 -1.01 119.26 122.05 1r3b h ALA 176 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1r3b h ALA 176 Cb 0.72 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1r3b h ALA 176 CO 0.04 -0.44 0.37 0.45 0.00 0.00 0.00 179.25 179.67 1r3b h HIS 177 N 0.00 0.68 0.29 0.00 3.86 -1.97 0.25 115.15 118.27 1r3b h HIS 177 Ca 0.11 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1r3b h HIS 177 Cb 0.74 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1r3b h HIS 177 CO 0.00 0.36 -0.14 -0.07 0.86 0.00 0.00 177.93 178.94 1r3b h LEU 178 N 0.71 -0.33 -1.79 2.43 4.07 -1.51 0.75 115.31 119.64 1r3b h LEU 178 Ca 0.26 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1r3b h LEU 178 Cb 0.08 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 1r3b h LEU 178 CO -0.13 -0.17 0.14 -1.13 -1.08 0.00 0.00 178.44 176.07 1r3b h ASN 179 N -0.47 0.25 0.03 -0.43 -0.73 -1.53 0.33 115.58 113.02 1r3b h ASN 179 Ca -0.04 -0.01 -0.09 0.00 1.87 0.00 0.00 56.30 58.03 1r3b h ASN 179 Cb 0.35 -0.06 0.01 0.00 0.27 0.00 0.00 38.32 38.89 1r3b h ASN 179 CO 0.07 0.18 -0.38 0.74 -0.37 0.00 0.00 177.43 177.67 1r3b h THR 180 N 0.29 1.56 -0.02 -3.57 2.02 -0.08 -2.69 112.91 110.42 1r3b h THR 180 Ca 0.08 -2.13 -0.00 0.00 0.77 0.00 0.00 66.41 65.13 1r3b h THR 180 Cb -0.03 2.91 -0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1r3b h THR 180 CO -0.02 0.59 0.00 -1.28 0.37 0.00 0.00 175.52 175.19 1r3b h SER 181 N -0.48 0.02 -0.42 4.18 0.87 0.89 -1.62 113.55 117.00 1r3b h SER 181 Ca -0.05 -0.22 0.05 0.00 -1.23 0.00 0.00 61.79 60.33 1r3b h SER 181 Cb 1.17 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 1r3b h SER 181 CO 0.07 0.24 0.28 0.15 -0.53 0.00 0.00 176.83 177.04 1r3b h PHE 182 N -0.20 0.36 -0.28 2.24 3.57 -0.48 -0.85 116.94 121.30 1r3b h PHE 182 Ca 0.00 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.35 1r3b h PHE 182 Cb 0.23 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1r3b h PHE 182 CO 0.00 0.20 -0.48 0.87 -2.23 0.00 0.00 178.31 176.67 1r3b h LYS 183 N 0.36 0.78 -0.46 1.11 1.57 -1.17 -2.65 116.57 116.11 1r3b h LYS 183 Ca 0.18 -0.46 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 1r3b h LYS 183 Cb 0.25 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1r3b h LYS 183 CO -0.04 1.08 -0.13 1.25 -0.57 0.00 0.00 179.45 181.04 1r3b h HIS 184 N 0.61 0.95 0.00 -1.35 2.76 -0.22 0.74 115.15 118.64 1r3b h HIS 184 Ca 0.03 -0.19 -0.03 0.00 -2.20 0.00 0.00 60.37 57.98 1r3b h HIS 184 Cb 1.06 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.78 1r3b h HIS 184 CO 0.06 0.93 -0.12 0.74 -1.30 0.00 0.00 177.93 178.23 1r3b h PHE 185 N 0.77 0.00 0.00 5.26 0.04 -1.14 -1.18 116.94 120.69 1r3b h PHE 185 Ca 0.12 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.67 1r3b h PHE 185 Cb 0.64 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 1r3b h PHE 185 CO 0.04 0.12 -1.54 -0.89 -0.60 0.00 0.00 178.31 175.44 1r3b n ILE 186 N -3.37 1.50 -0.30 -0.55 -0.00 -0.92 -3.90 119.36 111.83 1r3b n ILE 186 Ca -0.01 -0.07 0.04 0.00 -0.00 0.00 0.00 62.75 62.71 1r3b n ILE 186 Cb 0.32 -2.12 0.25 0.00 -0.00 0.00 0.00 39.64 38.09 1r3b n ILE 186 CO 0.00 0.00 0.00 -0.26 -0.00 0.00 0.00 176.55 176.29 1r3b h PHE 187 N -1.00 1.03 0.53 1.39 0.04 0.41 0.33 116.94 119.66 1r3b h PHE 187 Ca -0.33 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.44 1r3b h PHE 187 Cb 1.21 -0.34 0.01 0.00 2.20 0.00 0.00 35.95 39.03 1r3b h PHE 187 CO -0.15 0.53 -0.25 0.35 -0.60 0.00 0.00 178.31 178.18 1r3b h PHE 188 N 1.00 -0.66 -0.70 -0.55 3.57 -1.38 0.83 116.94 119.05 1r3b h PHE 188 Ca 0.39 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.80 1r3b h PHE 188 Cb 0.23 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1r3b h PHE 188 CO -0.00 -0.38 0.16 -0.39 -2.23 0.00 0.00 178.31 175.47 1r3b h VAL 189 N -0.78 1.26 -0.13 1.41 -1.51 -1.60 -2.69 116.25 112.21 1r3b h VAL 189 Ca -0.07 -0.99 -0.12 0.00 -1.23 0.00 0.00 66.70 64.29 1r3b h VAL 189 Cb 0.57 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 1r3b h VAL 189 CO 0.12 0.38 -0.46 1.56 -1.23 0.00 0.00 177.57 177.94 1r3b h GLN 190 N 1.06 0.33 -0.27 5.19 4.20 -0.27 0.91 115.11 126.26 1r3b h GLN 190 Ca 0.22 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1r3b h GLN 190 Cb 0.39 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1r3b h GLN 190 CO 0.00 0.72 0.15 0.93 -0.67 0.00 0.00 178.83 179.97 1r3b h GLU 191 N 0.26 0.37 -0.19 1.46 4.39 1.00 -2.92 114.58 118.95 1r3b h GLU 191 Ca 0.02 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1r3b h GLU 191 Cb 0.91 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1r3b h GLU 191 CO 0.08 0.32 0.00 1.19 -1.16 0.00 0.00 179.01 179.44 1r3b n PHE 192 N -4.84 0.22 -2.59 4.33 3.01 -1.05 -4.95 117.46 111.59 1r3b n PHE 192 Ca -0.02 -0.11 -0.19 0.00 1.01 0.00 0.00 57.45 58.14 1r3b n PHE 192 Cb 0.07 -0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1r3b n PHE 192 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1r3b n ASN 193 N 1.40 -5.18 0.20 4.37 2.85 0.29 -4.84 115.26 114.35 1r3b n ASN 193 Ca 0.16 -0.03 0.06 0.00 -0.11 0.00 0.00 54.58 54.66 1r3b n ASN 193 Cb 0.60 -4.31 0.53 0.00 1.24 0.00 0.00 39.78 37.84 1r3b n ASN 193 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1r3b h LEU 194 N -0.31 0.09 -9.21 1.20 7.12 -1.12 -3.43 115.31 109.65 1r3b h LEU 194 Ca -0.44 -0.01 -0.61 0.00 0.13 0.00 0.00 57.88 56.95 1r3b h LEU 194 Cb 1.32 -0.02 -0.14 0.00 -0.53 0.00 0.00 40.66 41.28 1r3b h LEU 194 CO 0.51 0.15 -0.76 -0.63 -0.13 0.00 0.00 178.44 177.58 1r3b s ILE 195 N -4.94 2.48 -0.00 4.05 -1.09 -1.25 -5.07 121.20 115.37 1r3b s ILE 195 Ca -0.05 -2.40 -0.02 0.00 -2.23 0.00 0.00 60.65 55.95 1r3b s ILE 195 Cb 0.16 -2.30 -0.01 0.00 -1.58 0.00 0.00 42.46 38.74 1r3b s ILE 195 CO 0.69 -0.39 -0.04 0.47 -1.23 0.00 0.00 174.94 174.44 1r3b n ASP 196 N -0.60 0.54 0.00 3.58 8.00 -1.26 -4.84 116.55 121.96 1r3b n ASP 196 Ca -0.05 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1r3b n ASP 196 Cb 0.60 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 1r3b n ASP 196 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1r3b n ARG 197 N -3.29 0.00 -0.25 -1.24 0.63 -1.26 -4.92 116.66 106.32 1r3b n ARG 197 Ca -0.05 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.94 1r3b n ARG 197 Cb 0.40 0.00 0.19 0.00 0.45 0.00 0.00 32.46 33.50 1r3b n ARG 197 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1r3b h ARG 198 N 0.00 0.29 0.00 -0.14 2.47 -1.99 0.16 114.38 115.18 1r3b h ARG 198 Ca 0.00 -0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.52 1r3b h ARG 198 Cb 0.00 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.23 1r3b h ARG 198 CO 0.00 0.19 -0.86 0.93 0.56 0.00 0.00 179.97 180.79 1r3b h GLU 199 N 0.30 0.00 -0.79 0.04 3.07 -1.99 -3.19 114.58 112.02 1r3b h GLU 199 Ca 0.42 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.25 1r3b h GLU 199 Cb 0.72 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.61 1r3b h GLU 199 CO -0.49 0.86 0.04 1.28 -1.40 0.00 0.00 179.01 179.30 1r3b n LEU 200 N -3.36 3.87 0.40 1.33 4.77 0.06 -4.49 117.00 119.59 1r3b n LEU 200 Ca 0.00 -1.97 -0.18 0.00 -0.03 0.00 0.00 56.01 53.82 1r3b n LEU 200 Cb 0.87 -0.62 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 1r3b n LEU 200 CO 0.45 0.51 0.53 0.00 -1.33 0.00 0.00 177.39 177.55 1r3b h ALA 201 N 2.95 -1.25 0.00 -1.18 0.00 -0.78 -3.24 119.26 115.76 1r3b h ALA 201 Ca 0.04 -0.23 -0.42 0.00 0.00 0.00 0.00 54.91 54.30 1r3b h ALA 201 Cb 1.43 0.60 0.03 0.00 0.00 0.00 0.00 17.79 19.85 1r3b h ALA 201 CO 0.32 -1.21 2.27 -0.35 0.00 0.00 0.00 179.25 180.28 1r3b n PRO 202 N -5.39 1.57 0.00 0.00 -0.04 -1.26 -3.18 135.00 126.70 1r3b n PRO 202 Ca -0.14 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 1r3b n PRO 202 Cb 0.47 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 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 5.43 0.00 0.27 1.53 4.32 -1.22 -4.83 117.00 122.49 1r3b n LEU 203 Ca 0.40 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.50 1r3b n LEU 203 Cb 0.20 0.11 0.74 0.00 -1.62 0.00 0.00 43.42 42.86 1r3b n LEU 203 CO 0.79 -0.23 1.05 1.56 -1.22 0.00 0.00 177.39 179.35 1r3b h GLN 204 N 0.00 0.00 0.00 3.23 1.08 -1.73 0.30 115.11 117.99 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1r3b h GLN 204 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1r3b h GLN 204 CO 0.00 0.05 -0.00 0.93 -0.95 0.00 0.00 178.83 178.85 1r3b h GLU 205 N 0.00 -0.00 -0.35 1.46 5.08 -1.90 -2.74 114.58 116.12 1r3b h GLU 205 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1r3b h GLU 205 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1r3b h GLU 205 CO 0.01 0.80 -0.31 1.37 -1.00 0.00 0.00 179.01 179.88 1r3b h LEU 206 N -0.81 0.88 -0.44 1.33 8.10 -1.82 -1.59 115.31 120.96 1r3b h LEU 206 Ca -0.00 -0.45 0.01 0.00 0.11 0.00 0.00 57.88 57.55 1r3b h LEU 206 Cb 0.80 -0.25 -0.03 0.00 -0.44 0.00 0.00 40.66 40.75 1r3b h LEU 206 CO 0.00 1.15 0.27 -0.29 -4.11 0.00 0.00 178.44 175.47 1r3b h ILE 207 N 0.62 1.08 -0.16 0.15 6.09 -0.54 0.16 117.51 124.91 1r3b h ILE 207 Ca 0.06 -0.19 -0.03 0.00 -1.37 0.00 0.00 64.86 63.33 1r3b h ILE 207 Cb 0.88 0.47 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 1r3b h ILE 207 CO 0.08 0.10 -0.02 -0.33 -3.07 0.00 0.00 178.15 174.91 1r3b h GLU 208 N 0.56 0.30 -0.78 2.19 3.07 -1.47 -2.70 114.58 115.74 1r3b h GLU 208 Ca 0.17 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1r3b h GLU 208 Cb -0.03 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.82 1r3b h GLU 208 CO -0.06 0.55 0.49 -0.22 -1.40 0.00 0.00 179.01 178.36 1r3b h LYS 209 N 0.02 1.05 -0.15 2.33 3.11 -1.09 -1.70 116.57 120.14 1r3b h LYS 209 Ca 0.04 -0.08 -0.04 0.00 -2.81 0.00 0.00 60.65 57.76 1r3b h LYS 209 Cb 0.42 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.41 1r3b h LYS 209 CO 0.01 0.72 -0.09 1.25 -2.81 0.00 0.00 179.45 178.54 1r3b h LEU 210 N 1.07 0.22-10.39 5.20 6.46 -0.57 -3.43 115.31 113.87 1r3b h LEU 210 Ca 0.28 -0.04 -0.50 0.00 -0.12 0.00 0.00 57.88 57.50 1r3b h LEU 210 Cb -0.07 -0.06 0.08 0.00 -0.73 0.00 0.00 40.66 39.88 1r3b h LEU 210 CO -0.06 0.34 0.40 -0.83 -0.62 0.00 0.00 178.44 177.67 1r3b s GLY 211 N -4.03 1.65 0.00 3.75 0.00 -0.64 -4.94 107.32 103.11 1r3b s GLY 211 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1r3b s GLY 211 CO 0.73 0.20 0.00 1.44 0.00 0.00 0.00 173.10 175.47 1r3b n SER 212 N -2.99 0.00 -1.43 1.64 7.64 -1.26 -4.98 113.62 112.24 1r3b n SER 212 Ca 0.07 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.13 1r3b n SER 212 Cb 0.55 0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.91 1r3b n SER 212 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1r3b n LYS 213 N -1.93 -3.10 -2.58 1.43 4.76 -1.26 -5.00 118.16 110.48 1r3b n LYS 213 Ca 0.00 2.32 -0.05 0.00 -2.87 0.00 0.00 58.31 57.71 1r3b n LYS 213 Cb 0.00 -3.70 -0.05 0.00 -1.84 0.00 0.00 35.03 29.44 1r3b n LYS 213 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1r3b n ASP 214 N -4.30 -0.79 -0.43 4.39 2.03 -1.26 -5.31 116.55 110.89 1r3b n ASP 214 Ca -0.04 1.33 0.14 0.00 0.52 0.00 0.00 54.79 56.74 1r3b n ASP 214 Cb 0.67 -5.21 0.57 0.00 -0.72 0.00 0.00 41.12 36.43 1r3b n ASP 214 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82