#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3b n GLY 15 N 0.00 0.84 3.27 3.03 0.00 -1.26 -5.03 105.19 106.04 1r3b n GLY 15 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.47 6.15 0.07 1.61 1.04 -1.26 -5.06 113.70 115.78 1r3b s SER 16 Ca 0.00 -2.23 -0.01 0.00 0.48 0.00 0.00 55.95 54.20 1r3b s SER 16 Cb 0.00 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 1r3b s SER 16 CO 0.00 -0.67 0.23 -0.44 0.98 0.00 0.00 173.24 173.34 1r3b s SER 17 N 2.58 6.38 -0.07 7.02 0.01 -1.26 -5.11 113.70 123.25 1r3b s SER 17 Ca 0.10 0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.68 1r3b s SER 17 Cb -0.22 -1.98 0.02 0.00 0.21 0.00 0.00 66.02 64.06 1r3b s SER 17 CO -0.02 0.16 -0.07 -1.00 0.41 0.00 0.00 173.24 172.71 1r3b s HIS 18 N -1.53 1.16 -0.16 2.43 0.09 -1.26 -5.13 115.29 110.89 1r3b s HIS 18 Ca 0.36 -0.44 -0.12 0.00 -0.00 0.00 0.00 55.06 54.85 1r3b s HIS 18 Cb -0.13 -0.95 0.05 0.00 -0.00 0.00 0.00 32.58 31.55 1r3b s HIS 18 CO 0.28 -0.31 0.40 -3.38 -0.00 0.00 0.00 174.74 171.73 1r3b s HIS 19 N 1.10 -0.49 0.10 1.40 0.00 -1.26 -5.17 115.29 110.97 1r3b s HIS 19 Ca -0.07 1.14 -0.25 0.00 -3.00 0.00 0.00 55.06 52.88 1r3b s HIS 19 Cb -0.14 0.19 0.07 0.00 -4.00 0.00 0.00 32.58 28.69 1r3b s HIS 19 CO -0.01 -0.25 0.60 -3.38 -1.00 0.00 0.00 174.74 170.70 1r3b s HIS 20 N 0.60 -0.54 -0.27 0.38 0.00 -1.26 -5.16 115.29 109.03 1r3b s HIS 20 Ca -0.03 0.52 -0.05 0.00 -3.00 0.00 0.00 55.06 52.50 1r3b s HIS 20 Cb -0.05 0.49 0.14 0.00 -4.00 0.00 0.00 32.58 29.17 1r3b s HIS 20 CO -0.04 -0.77 0.54 -1.58 -1.00 0.00 0.00 174.74 171.90 1r3b s HIS 21 N -3.01 -1.24 -0.17 0.38 5.65 -1.26 -5.15 115.29 110.49 1r3b s HIS 21 Ca -0.02 1.70 -0.04 0.00 0.25 0.00 0.00 55.06 56.95 1r3b s HIS 21 Cb -0.01 0.49 -0.03 0.00 -1.18 0.00 0.00 32.58 31.86 1r3b s HIS 21 CO -0.06 -0.72 -0.02 -1.01 -0.65 0.00 0.00 174.74 172.28 1r3b s HIS 22 N 2.77 3.03 -0.29 3.88 0.09 -1.26 -5.08 115.29 118.44 1r3b s HIS 22 Ca 0.07 -0.34 -0.18 0.00 -0.00 0.00 0.00 55.06 54.61 1r3b s HIS 22 Cb -0.14 -2.00 0.14 0.00 -0.00 0.00 0.00 32.58 30.58 1r3b s HIS 22 CO -0.18 -0.10 0.99 -3.38 -0.00 0.00 0.00 174.74 172.08 1r3b s HIS 23 N 0.56 -0.55 -0.32 1.40 0.00 -1.26 -5.14 115.29 109.99 1r3b s HIS 23 Ca -0.02 1.15 0.05 0.00 -3.00 0.00 0.00 55.06 53.23 1r3b s HIS 23 Cb -0.14 0.36 0.18 0.00 -4.00 0.00 0.00 32.58 28.97 1r3b s HIS 23 CO 0.02 -0.27 0.51 0.45 -1.00 0.00 0.00 174.74 174.45 1r3b s SER 24 N 1.06 -0.61 0.25 7.38 0.15 -1.26 -5.16 113.70 115.51 1r3b s SER 24 Ca -0.06 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.23 1r3b s SER 24 Cb -0.04 1.55 -0.04 0.00 -1.71 0.00 0.00 66.02 65.77 1r3b s SER 24 CO -0.13 -0.29 0.45 -0.55 1.20 0.00 0.00 173.24 173.92 1r3b s SER 25 N 2.43 6.37 0.00 5.45 0.15 -1.26 -4.96 113.70 121.88 1r3b s SER 25 Ca 0.11 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1r3b s SER 25 Cb -0.10 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1r3b s SER 25 CO -0.22 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1r3b n GLY 26 N -1.02 0.00 3.53 9.45 0.00 -1.26 -5.12 105.19 110.77 1r3b n GLY 26 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1r3b n GLY 26 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r3b s LEU 27 N 0.00 4.07 -0.09 0.99 1.98 -1.26 -5.02 118.68 119.34 1r3b s LEU 27 Ca 0.00 -0.30 -0.20 0.00 -2.89 0.00 0.00 54.13 50.74 1r3b s LEU 27 Cb 0.00 -2.87 -0.04 0.00 0.66 0.00 0.00 46.19 43.94 1r3b s LEU 27 CO 0.00 -1.23 0.57 0.54 -1.89 0.00 0.00 176.35 174.34 1r3b s VAL 28 N 3.98 5.13 0.51 1.68 0.11 -1.26 -5.06 120.40 125.49 1r3b s VAL 28 Ca 0.31 1.16 -0.19 0.00 -2.93 0.00 0.00 61.98 60.33 1r3b s VAL 28 Cb -0.12 -3.91 -0.07 0.00 -1.53 0.00 0.00 36.38 30.75 1r3b s VAL 28 CO 0.20 0.30 1.04 -2.16 -3.33 0.00 0.00 175.10 171.15 1r3b s PRO 29 N 0.68 3.69 0.00 1.54 0.04 -1.26 -5.07 135.00 134.61 1r3b s PRO 29 Ca 0.31 1.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 1r3b s PRO 29 Cb -0.16 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.31 1r3b s PRO 29 CO 0.14 -0.52 0.20 -0.98 0.04 0.00 0.00 177.00 175.87 1r3b s ARG 30 N -3.45 0.57 0.00 4.56 1.70 -1.26 -5.04 118.95 116.04 1r3b s ARG 30 Ca 0.66 -0.38 0.00 0.00 -0.47 0.00 0.00 55.73 55.54 1r3b s ARG 30 Cb -0.16 0.24 0.00 0.00 -0.57 0.00 0.00 34.95 34.46 1r3b s ARG 30 CO 0.24 -0.15 0.00 0.41 -1.08 0.00 0.00 175.30 174.72 1r3b n GLY 31 N 1.27 0.00 3.90 3.88 0.00 -1.26 -5.17 105.19 107.81 1r3b n GLY 31 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1r3b n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r3b s SER 32 N 0.00 6.45 0.42 1.61 0.15 -1.26 -5.10 113.70 115.97 1r3b s SER 32 Ca 0.00 0.73 0.02 0.00 0.70 0.00 0.00 55.95 57.40 1r3b s SER 32 Cb 0.00 -2.15 -0.01 0.00 -1.71 0.00 0.00 66.02 62.15 1r3b s SER 32 CO 0.00 -0.20 0.62 0.00 1.20 0.00 0.00 173.24 174.85 1r3b s ALA 33 N -2.09 3.85 -0.05 5.45 0.00 -1.26 -5.11 121.76 122.55 1r3b s ALA 33 Ca 0.44 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1r3b s ALA 33 Cb -0.11 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 20.99 1r3b s ALA 33 CO 0.30 -0.27 -0.09 -0.08 0.00 0.00 0.00 175.76 175.62 1r3b s THR 34 N -2.45 0.84 -0.24 0.00 -1.32 -1.26 -5.03 115.64 106.19 1r3b s THR 34 Ca 0.47 -0.32 -0.13 0.00 -1.21 0.00 0.00 61.69 60.50 1r3b s THR 34 Cb -0.10 -0.80 -0.04 0.00 -1.51 0.00 0.00 72.50 70.05 1r3b s THR 34 CO 0.36 0.29 0.28 -0.22 -2.21 0.00 0.00 174.62 173.12 1r3b s LEU 35 N 0.71 4.11 -1.23 9.08 0.20 -1.26 -5.02 118.68 125.27 1r3b s LEU 35 Ca -0.12 0.27 -0.12 0.00 0.69 0.00 0.00 54.13 54.84 1r3b s LEU 35 Cb -0.15 -2.30 0.17 0.00 -0.43 0.00 0.00 46.19 43.49 1r3b s LEU 35 CO 0.02 -0.04 1.55 0.61 -0.29 0.00 0.00 176.35 178.20 1r3b n GLY 36 N 4.31 3.76 3.41 7.98 0.00 -1.26 -4.95 105.19 118.44 1r3b n GLY 36 Ca -0.12 -2.04 -0.44 0.00 0.00 0.00 0.00 46.02 43.42 1r3b n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 37 N 2.26 6.18 0.43 1.61 0.01 -1.26 -5.03 113.70 117.90 1r3b s SER 37 Ca 0.42 -1.19 0.07 0.00 1.31 0.00 0.00 55.95 56.55 1r3b s SER 37 Cb 0.00 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 1r3b s SER 37 CO 0.00 -1.25 0.22 -0.83 0.41 0.00 0.00 173.24 171.79 1r3b s GLY 38 N 3.59 2.34 -1.71 3.44 0.00 -1.26 -4.65 107.32 109.08 1r3b s GLY 38 Ca 0.17 -1.92 -0.02 0.00 0.00 0.00 0.00 44.72 42.95 1r3b s GLY 38 CO 0.08 -1.90 0.21 0.70 0.00 0.00 0.00 173.10 172.19 1r3b n ASN 39 N -1.33 -5.99 0.27 1.64 4.13 -1.26 -4.86 115.26 107.85 1r3b n ASN 39 Ca -0.01 -0.11 0.16 0.00 1.68 0.00 0.00 54.58 56.30 1r3b n ASN 39 Cb 0.64 -4.93 0.64 0.00 -1.54 0.00 0.00 39.78 34.59 1r3b n ASN 39 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1r3b h LEU 40 N -0.47 0.00 -0.60 3.41 6.46 -2.01 -3.12 115.31 118.98 1r3b h LEU 40 Ca -0.51 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.30 1r3b h LEU 40 Cb 1.37 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.25 1r3b h LEU 40 CO 0.58 0.03 0.32 0.03 -0.62 0.00 0.00 178.44 178.78 1r3b h ARG 41 N 0.00 0.59 -0.27 1.25 3.08 -1.98 -0.91 114.38 116.14 1r3b h ARG 41 Ca -0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.05 1r3b h ARG 41 Cb 0.55 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1r3b h ARG 41 CO 0.00 0.39 0.18 0.37 -1.07 0.00 0.00 179.97 179.85 1r3b h GLN 42 N 0.61 0.23 0.00 0.04 5.75 -1.84 0.96 115.11 120.85 1r3b h GLN 42 Ca 0.26 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 1r3b h GLN 42 Cb 0.15 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.65 1r3b h GLN 42 CO -0.17 0.15 0.00 0.00 -2.65 0.00 0.00 178.83 176.16 1r3b n ALA 43 N -2.53 1.96 0.00 3.38 0.00 -0.38 -3.05 120.51 119.90 1r3b n ALA 43 Ca 0.02 0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 1r3b n ALA 43 Cb 0.17 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.06 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 -4.04 0.00 2.07 -0.49 -3.47 116.25 111.35 1r3b h VAL 44 Ca 0.00 -2.84 -0.69 0.00 0.82 0.00 0.00 66.70 63.99 1r3b h VAL 44 Cb 0.55 2.53 -0.23 0.00 -1.52 0.00 0.00 31.29 32.61 1r3b h VAL 44 CO 0.00 0.63 -0.86 -0.32 0.02 0.00 0.00 177.57 177.03 1r3b s MET 45 N -2.62 1.63 0.29 1.57 -2.45 -1.05 -4.95 119.30 111.72 1r3b s MET 45 Ca -0.05 -1.22 -0.14 0.00 -1.25 0.00 0.00 55.69 53.03 1r3b s MET 45 Cb 0.08 -1.97 -0.11 0.00 1.25 0.00 0.00 34.83 34.09 1r3b s MET 45 CO 0.82 0.48 0.03 1.28 1.05 0.00 0.00 175.02 178.68 1r3b n LEU 46 N 1.26 -2.10 -4.48 4.11 7.99 -1.26 -4.77 117.00 117.75 1r3b n LEU 46 Ca -0.17 0.54 -0.43 0.00 -0.01 0.00 0.00 56.01 55.94 1r3b n LEU 46 Cb 0.52 -0.60 -0.04 0.00 -0.11 0.00 0.00 43.42 43.19 1r3b n LEU 46 CO 0.24 -2.99 0.76 -2.16 -1.51 0.00 0.00 177.39 171.73 1r3b s PRO 47 N -0.69 3.20 0.00 3.23 0.04 -1.26 -4.73 135.00 134.79 1r3b s PRO 47 Ca 0.41 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1r3b s PRO 47 Cb -0.42 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 29.97 1r3b s PRO 47 CO 0.44 -1.69 0.00 -1.91 0.04 0.00 0.00 177.00 173.88 1r3b n GLU 48 N 7.64 0.00 -2.72 4.56 0.00 -1.26 -3.64 120.64 125.22 1r3b n GLU 48 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.10 1r3b n GLU 48 Cb 0.46 0.00 0.04 0.00 0.00 0.00 0.00 31.44 31.94 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1r3b n GLY 49 N 0.00 -0.96 3.66 8.31 0.00 -1.26 -5.16 105.19 109.78 1r3b n GLY 49 Ca 0.00 0.71 -0.24 0.00 0.00 0.00 0.00 46.02 46.49 1r3b n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r3b s GLU 50 N 0.70 2.35 0.66 1.61 2.56 -1.24 -5.10 118.70 120.24 1r3b s GLU 50 Ca 0.28 -1.29 -0.18 0.00 0.00 0.00 0.00 54.97 53.78 1r3b s GLU 50 Cb 0.13 -2.24 -0.00 0.00 2.00 0.00 0.00 34.13 34.02 1r3b s GLU 50 CO -0.12 0.40 1.28 -0.25 -0.56 0.00 0.00 175.26 176.01 1r3b n ASP 51 N -0.61 1.94 0.13 -1.70 8.00 -1.26 -4.88 116.55 118.17 1r3b n ASP 51 Ca -0.08 0.80 -0.12 0.00 0.71 0.00 0.00 54.79 56.10 1r3b n ASP 51 Cb 0.57 -1.55 -0.08 0.00 -0.02 0.00 0.00 41.12 40.05 1r3b n ASP 51 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1r3b h LEU 52 N 0.39 -0.31 -1.62 0.64 5.85 -1.99 -2.03 115.31 116.24 1r3b h LEU 52 Ca -0.50 -0.22 0.34 0.00 0.84 0.00 0.00 57.88 58.34 1r3b h LEU 52 Cb 1.34 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.36 1r3b h LEU 52 CO 0.52 0.12 0.81 0.78 -0.34 0.00 0.00 178.44 180.33 1r3b h ASN 53 N -0.82 0.23 -0.03 1.25 -0.26 -2.00 0.63 115.58 114.57 1r3b h ASN 53 Ca -0.04 0.06 -0.16 0.00 -0.56 0.00 0.00 56.30 55.61 1r3b h ASN 53 Cb 0.51 0.03 0.01 0.00 -1.06 0.00 0.00 38.32 37.81 1r3b h ASN 53 CO 0.06 -0.00 -0.59 -0.08 -1.06 0.00 0.00 177.43 175.76 1r3b h GLU 54 N 0.18 0.46 -0.35 0.81 4.81 -1.93 -3.04 114.58 115.53 1r3b h GLU 54 Ca 0.65 -0.45 0.07 0.00 -0.13 0.00 0.00 59.36 59.50 1r3b h GLU 54 Cb 2.10 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 31.53 1r3b h GLU 54 CO -0.21 1.10 -0.10 2.35 -0.73 0.00 0.00 179.01 181.42 1r3b h TRP 55 N -0.00 -0.22 -0.18 0.92 -0.00 0.95 0.60 115.95 118.02 1r3b h TRP 55 Ca -0.06 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.90 1r3b h TRP 55 Cb 1.28 0.15 -0.05 0.00 -0.00 0.00 0.00 29.16 30.54 1r3b h TRP 55 CO 0.13 -0.17 -0.11 0.82 -0.00 0.00 0.00 178.44 179.11 1r3b h ILE 56 N -0.02 0.66 -0.32 2.65 2.04 -1.22 0.18 117.51 121.47 1r3b h ILE 56 Ca 0.17 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.96 1r3b h ILE 56 Cb 0.28 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1r3b h ILE 56 CO -0.37 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 177.69 1r3b h ALA 57 N 1.02 1.24 -0.23 1.87 0.00 -1.25 -1.75 119.26 120.16 1r3b h ALA 57 Ca 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1r3b h ALA 57 Cb 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1r3b h ALA 57 CO -0.24 0.50 0.03 0.28 0.00 0.00 0.00 179.25 179.82 1r3b h VAL 58 N 0.51 1.23 0.00 0.00 2.07 0.10 -3.13 116.25 117.03 1r3b h VAL 58 Ca 0.10 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 1r3b h VAL 58 Cb 0.47 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1r3b h VAL 58 CO 0.03 0.25 -0.44 0.78 0.02 0.00 0.00 177.57 178.20 1r3b h ASN 59 N 0.19 0.00 0.47 0.57 2.35 -0.91 -3.14 115.58 115.11 1r3b h ASN 59 Ca 0.07 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1r3b h ASN 59 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1r3b h ASN 59 CO 0.01 0.44 -0.23 0.74 -1.65 0.00 0.00 177.43 176.74 1r3b h THR 60 N 0.00 0.54 -0.70 2.81 2.02 -1.26 0.88 112.91 117.20 1r3b h THR 60 Ca -0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1r3b h THR 60 Cb 1.10 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1r3b h THR 60 CO 0.06 0.01 0.42 0.58 0.37 0.00 0.00 175.52 176.96 1r3b h VAL 61 N -0.65 1.19 0.04 3.16 2.07 -1.63 0.14 116.25 120.58 1r3b h VAL 61 Ca -0.06 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1r3b h VAL 61 Cb 0.49 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1r3b h VAL 61 CO 0.11 0.20 -0.02 0.44 0.02 0.00 0.00 177.57 178.32 1r3b h ASP 62 N 0.96 -0.05 0.51 0.57 5.19 -1.43 -0.01 116.42 122.15 1r3b h ASP 62 Ca 0.25 -0.43 -0.02 0.00 -0.62 0.00 0.00 57.03 56.21 1r3b h ASP 62 Cb -0.05 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1r3b h ASP 62 CO -0.05 0.41 -0.27 -0.26 -3.12 0.00 0.00 179.24 175.96 1r3b h PHE 63 N -0.52 -0.69 -0.11 4.55 0.04 0.10 0.78 116.94 121.08 1r3b h PHE 63 Ca -0.01 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1r3b h PHE 63 Cb 0.47 0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 1r3b h PHE 63 CO 0.08 -0.42 -0.03 0.35 -0.60 0.00 0.00 178.31 177.69 1r3b h PHE 64 N -0.71 0.15 -0.22 -0.55 3.57 -0.81 -0.59 116.94 117.77 1r3b h PHE 64 Ca -0.07 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.24 1r3b h PHE 64 Cb 0.56 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1r3b h PHE 64 CO -0.06 0.19 -0.62 -0.97 -2.23 0.00 0.00 178.31 174.62 1r3b h ASN 65 N 0.15 0.88 -0.30 0.41 -0.73 -0.57 0.28 115.58 115.69 1r3b h ASN 65 Ca 0.04 -0.51 -0.18 0.00 1.87 0.00 0.00 56.30 57.52 1r3b h ASN 65 Cb 0.16 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 38.50 1r3b h ASN 65 CO 0.01 1.29 -0.52 -0.61 -0.37 0.00 0.00 177.43 177.22 1r3b h GLN 66 N 0.57 0.89 0.02 6.67 5.75 -0.30 -0.27 115.11 128.45 1r3b h GLN 66 Ca -0.01 -0.55 -0.27 0.00 -0.15 0.00 0.00 58.65 57.67 1r3b h GLN 66 Cb 1.23 0.06 0.02 0.00 1.07 0.00 0.00 27.48 29.86 1r3b h GLN 66 CO 0.13 1.19 -1.08 -0.84 -2.65 0.00 0.00 178.83 175.58 1r3b h ILE 67 N 0.69 1.29 0.00 2.39 -0.00 -1.13 -2.85 117.51 117.89 1r3b h ILE 67 Ca 0.02 -2.30 -0.08 0.00 -0.00 0.00 0.00 64.86 62.50 1r3b h ILE 67 Cb 1.13 2.44 -0.01 0.00 -0.00 0.00 0.00 36.82 40.38 1r3b h ILE 67 CO 0.12 0.71 -0.40 -1.13 -0.00 0.00 0.00 178.15 177.45 1r3b h ASN 68 N 0.36 0.00 -0.04 2.16 -1.24 -0.47 -2.38 115.58 113.97 1r3b h ASN 68 Ca -0.14 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.82 1r3b h ASN 68 Cb 1.73 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.78 1r3b h ASN 68 CO 0.21 0.40 -0.16 0.24 -1.29 0.00 0.00 177.43 176.82 1r3b h MET 69 N 0.00 0.18 0.00 6.67 2.86 -1.04 -2.86 114.93 120.74 1r3b h MET 69 Ca -0.00 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 1r3b h MET 69 Cb 0.81 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1r3b h MET 69 CO 0.05 0.78 -0.30 1.37 1.06 0.00 0.00 176.91 179.88 1r3b h LEU 70 N -0.38 0.00 -0.62 1.22 8.10 -1.50 -2.77 115.31 119.36 1r3b h LEU 70 Ca -0.01 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.85 1r3b h LEU 70 Cb 0.81 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.01 1r3b h LEU 70 CO 0.03 0.30 -0.64 0.22 -4.11 0.00 0.00 178.44 174.25 1r3b h TYR 71 N 0.00 0.00 0.00 0.17 3.20 -1.45 -3.05 116.97 115.84 1r3b h TYR 71 Ca -0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1r3b h TYR 71 Cb 0.73 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 1r3b h TYR 71 CO 0.00 0.64 -0.12 0.78 -1.64 0.00 0.00 178.16 177.82 1r3b h GLY 72 N 2.18 0.00 1.41 1.82 0.00 -1.25 1.17 103.07 108.40 1r3b h GLY 72 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1r3b h GLY 72 CO 0.08 0.00 -1.28 -0.91 0.00 0.00 0.00 176.54 174.43 1r3b h THR 73 N 0.00 1.01 0.00 4.70 1.35 -1.62 -3.36 112.91 114.99 1r3b h THR 73 Ca -0.00 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.18 1r3b h THR 73 Cb 0.31 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1r3b h THR 73 CO 0.02 0.58 -1.66 0.00 -0.25 0.00 0.00 175.52 174.20 1r3b n ILE 74 N -3.12 0.00 -0.18 6.82 0.00 -0.97 -4.39 119.36 117.52 1r3b n ILE 74 Ca -0.08 -0.35 0.01 0.00 0.00 0.00 0.00 62.75 62.33 1r3b n ILE 74 Cb 0.93 0.29 0.28 0.00 0.00 0.00 0.00 39.64 41.14 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 1.17 -0.01 9.51 1.03 0.12 -0.86 112.91 123.87 1r3b h THR 75 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 66.41 66.08 1r3b h THR 75 Cb 0.80 0.16 -0.00 0.00 -1.07 0.00 0.00 68.15 68.03 1r3b h THR 75 CO 0.00 0.17 0.06 1.05 -0.01 0.00 0.00 175.52 176.78 1r3b h GLU 76 N 0.93 0.00 -0.04 0.00 4.11 -1.77 -1.12 114.58 116.69 1r3b h GLU 76 Ca 0.26 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.48 1r3b h GLU 76 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1r3b h GLU 76 CO -0.06 0.00 -0.86 0.74 0.07 0.00 0.00 179.01 178.91 1r3b h PHE 77 N 0.00 0.63 -1.98 2.06 -1.00 -1.43 -3.44 116.94 111.79 1r3b h PHE 77 Ca 0.00 -0.31 -0.61 0.00 2.81 0.00 0.00 57.97 59.86 1r3b h PHE 77 Cb 0.11 -0.08 0.01 0.00 3.61 0.00 0.00 35.95 39.60 1r3b h PHE 77 CO 0.00 1.11 1.20 0.00 -1.61 0.00 0.00 178.31 179.02 1r3b s THR 79 N 5.01 0.00 0.37 0.00 -1.32 -1.26 -4.79 115.64 113.65 1r3b s THR 79 Ca 0.95 -1.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.53 1r3b s THR 79 Cb -0.63 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 1r3b s THR 79 CO 0.48 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 172.27 1r3b n GLU 80 N -0.56 -2.03 0.26 7.08 1.02 -1.26 -4.35 120.64 120.80 1r3b n GLU 80 Ca 0.05 1.66 0.18 0.00 -0.02 0.00 0.00 57.16 59.02 1r3b n GLU 80 Cb 0.63 -2.32 0.90 0.00 -0.02 0.00 0.00 31.44 30.62 1r3b n GLU 80 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1r3b h SER 81 N -0.75 0.00 -0.17 1.62 0.02 -2.00 -3.42 113.55 108.85 1r3b h SER 81 Ca -0.11 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.66 1r3b h SER 81 Cb 0.80 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.27 1r3b h SER 81 CO 0.04 0.00 1.04 1.07 -1.14 0.00 0.00 176.83 177.84 1r3b n THR 82 N -2.74 -0.00 -1.89 -2.27 5.66 -1.26 -4.27 114.28 107.51 1r3b n THR 82 Ca -0.02 -0.50 -0.02 0.00 -3.05 0.00 0.00 64.05 60.46 1r3b n THR 82 Cb 0.09 -0.98 -0.02 0.00 -1.55 0.00 0.00 70.33 67.88 1r3b n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r3b n SER 84 N 0.00 -5.59 -2.00 0.00 7.64 -1.26 -4.42 113.62 107.98 1r3b n SER 84 Ca -0.08 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1r3b n SER 84 Cb 0.50 -4.11 0.00 0.00 -1.01 0.00 0.00 64.21 59.59 1r3b n SER 84 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1r3b n VAL 85 N -2.15 -8.51 -4.35 0.44 0.31 -1.26 -5.04 118.33 97.76 1r3b n VAL 85 Ca -0.11 2.96 -0.21 0.00 -0.01 0.00 0.00 64.34 66.98 1r3b n VAL 85 Cb 0.58 -4.18 -0.11 0.00 -0.91 0.00 0.00 33.84 29.23 1r3b n VAL 85 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1r3b s MET 86 N -1.50 1.33 -0.17 5.55 -1.94 -1.24 -4.86 119.30 116.45 1r3b s MET 86 Ca 0.00 -1.50 -0.18 0.00 -1.71 0.00 0.00 55.69 52.30 1r3b s MET 86 Cb 0.00 -1.30 -0.04 0.00 2.01 0.00 0.00 34.83 35.50 1r3b s MET 86 CO 0.00 0.25 0.50 -1.12 -0.01 0.00 0.00 175.02 174.63 1r3b s SER 87 N -2.95 6.59 -0.28 3.03 0.01 -1.23 -2.31 113.70 116.57 1r3b s SER 87 Ca 0.19 0.71 -0.22 0.00 1.31 0.00 0.00 55.95 57.93 1r3b s SER 87 Cb -0.04 -2.29 0.11 0.00 0.21 0.00 0.00 66.02 64.01 1r3b s SER 87 CO 0.07 -0.12 0.90 0.00 0.41 0.00 0.00 173.24 174.51 1r3b s ALA 88 N 1.30 -1.97 0.00 1.44 0.00 -0.93 -2.12 121.76 119.48 1r3b s ALA 88 Ca 0.24 2.04 0.00 0.00 0.00 0.00 0.00 51.96 54.24 1r3b s ALA 88 Cb -0.15 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1r3b s ALA 88 CO 0.10 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1r3b n GLY 89 N 2.86 2.90 0.42 0.00 0.00 -0.23 -4.51 105.19 106.62 1r3b n GLY 89 Ca -0.15 -1.99 -0.17 0.00 0.00 0.00 0.00 46.02 43.71 1r3b n GLY 89 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r3b h PRO 90 N 0.00 -0.84 -0.74 1.61 0.11 -2.02 -2.85 132.00 127.27 1r3b h PRO 90 Ca 0.00 0.06 0.12 0.00 0.11 0.00 0.00 66.00 66.29 1r3b h PRO 90 Cb 0.00 0.19 -0.08 0.00 0.11 0.00 0.00 31.00 31.22 1r3b h PRO 90 CO 0.00 -0.56 0.33 0.07 -0.21 0.00 0.00 178.00 177.63 1r3b h ARG 91 N -0.87 0.51 -2.65 1.05 0.11 -2.06 -3.42 114.38 107.05 1r3b h ARG 91 Ca -0.05 -0.03 -0.12 0.00 0.10 0.00 0.00 59.98 59.88 1r3b h ARG 91 Cb 0.75 -0.11 -0.26 0.00 1.11 0.00 0.00 29.97 31.45 1r3b h ARG 91 CO -0.01 0.33 -0.29 0.71 0.10 0.00 0.00 179.97 180.82 1r3b s TYR 92 N -6.03 -0.59 0.19 4.08 2.02 -1.09 -5.14 117.35 110.80 1r3b s TYR 92 Ca -0.12 1.27 -0.09 0.00 -0.37 0.00 0.00 57.07 57.76 1r3b s TYR 92 Cb 0.20 0.26 -0.01 0.00 -0.40 0.00 0.00 41.96 42.00 1r3b s TYR 92 CO 0.76 -0.33 0.31 -1.83 -1.57 0.00 0.00 175.55 172.89 1r3b s GLU 93 N 1.31 1.27 -0.30 -0.62 4.04 -1.16 -1.07 118.70 122.17 1r3b s GLU 93 Ca -0.09 -1.27 -0.20 0.00 0.04 0.00 0.00 54.97 53.45 1r3b s GLU 93 Cb -0.08 0.38 -0.01 0.00 0.02 0.00 0.00 34.13 34.44 1r3b s GLU 93 CO -0.12 -0.47 0.61 0.71 -1.84 0.00 0.00 175.26 174.15 1r3b s TYR 94 N -4.01 3.22 -0.04 4.83 1.51 -0.90 -4.75 117.35 117.21 1r3b s TYR 94 Ca 0.22 0.59 -0.01 0.00 -1.01 0.00 0.00 57.07 56.86 1r3b s TYR 94 Cb 0.03 -2.94 -0.04 0.00 -0.11 0.00 0.00 41.96 38.91 1r3b s TYR 94 CO 0.04 -0.44 0.04 -3.38 -1.11 0.00 0.00 175.55 170.70 1r3b s HIS 95 N 2.55 3.21 0.60 2.71 -3.43 -1.26 -5.04 115.29 114.62 1r3b s HIS 95 Ca 0.24 0.19 0.08 0.00 -0.80 0.00 0.00 55.06 54.77 1r3b s HIS 95 Cb -0.15 -1.75 0.10 0.00 -1.43 0.00 0.00 32.58 29.35 1r3b s HIS 95 CO 0.11 0.51 0.83 0.91 -2.00 0.00 0.00 174.74 175.10 1r3b n TRP 96 N 1.63 -2.43 0.00 0.38 8.01 -1.26 -4.65 117.44 119.12 1r3b n TRP 96 Ca -0.16 -2.02 0.00 0.00 -1.31 0.00 0.00 57.50 54.01 1r3b n TRP 96 Cb 0.53 -0.58 0.00 0.00 -2.01 0.00 0.00 31.31 29.26 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 -2.45 0.00 -2.16 6.99 0.00 -1.26 -4.81 120.51 116.83 1r3b n ALA 97 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 1r3b n ALA 97 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 6.40 -0.35 0.00 1.01 -1.26 -5.03 116.67 117.43 1r3b s ASP 98 Ca 0.00 1.12 0.15 0.00 0.71 0.00 0.00 52.55 54.53 1r3b s ASP 98 Cb 0.00 -2.33 0.43 0.00 1.01 0.00 0.00 42.92 42.04 1r3b s ASP 98 CO 0.00 -0.53 0.94 0.61 0.21 0.00 0.00 175.17 176.39 1r3b n GLY 99 N -1.84 2.56 3.26 0.21 0.00 -1.26 -4.91 105.19 103.21 1r3b n GLY 99 Ca 0.02 -1.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.01 1r3b n GLY 99 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1r3b s THR 100 N -3.36 4.95 -0.40 2.61 -1.32 -1.26 -4.74 115.64 112.12 1r3b s THR 100 Ca 0.32 -2.25 -0.14 0.00 -1.21 0.00 0.00 61.69 58.41 1r3b s THR 100 Cb 0.43 -4.14 0.02 0.00 -1.51 0.00 0.00 72.50 67.30 1r3b s THR 100 CO -0.01 -0.93 0.52 0.59 -2.21 0.00 0.00 174.62 172.58 1r3b n ASN 101 N 4.29 -7.72 -3.11 8.08 4.13 -1.26 -4.99 115.26 114.69 1r3b n ASN 101 Ca 0.04 0.60 -0.24 0.00 1.68 0.00 0.00 54.58 56.65 1r3b n ASN 101 Cb 0.43 -5.21 -0.05 0.00 -1.54 0.00 0.00 39.78 33.41 1r3b n ASN 101 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1r3b n ILE 102 N -0.22 1.79 -3.21 2.41 3.06 -1.26 -4.96 119.36 116.97 1r3b n ILE 102 Ca 0.10 -5.13 -0.04 0.00 -2.50 0.00 0.00 62.75 55.18 1r3b n ILE 102 Cb 0.40 -1.27 -0.03 0.00 0.54 0.00 0.00 39.64 39.29 1r3b n ILE 102 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1r3b s LYS 103 N -2.84 0.80 -0.03 9.51 2.20 -1.26 -5.03 119.74 123.09 1r3b s LYS 103 Ca 0.44 -0.50 -0.07 0.00 -0.36 0.00 0.00 55.97 55.48 1r3b s LYS 103 Cb 0.27 -0.13 0.01 0.00 -1.51 0.00 0.00 37.83 36.46 1r3b s LYS 103 CO -0.10 -1.21 0.15 0.15 -0.36 0.00 0.00 175.35 173.98 1r3b s LYS 104 N 1.63 0.35 0.01 4.03 1.02 -1.26 -5.12 119.74 120.40 1r3b s LYS 104 Ca 0.18 -0.11 -0.30 0.00 0.02 0.00 0.00 55.97 55.75 1r3b s LYS 104 Cb -0.06 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 1r3b s LYS 104 CO -0.06 -0.07 1.18 -1.25 -0.92 0.00 0.00 175.35 174.23 1r3b s PRO 105 N -0.71 4.41 0.15 -1.68 0.04 -1.26 -3.53 135.00 132.42 1r3b s PRO 105 Ca -0.08 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 1r3b s PRO 105 Cb -0.05 -3.44 0.03 0.00 0.04 0.00 0.00 34.50 31.07 1r3b s PRO 105 CO 0.01 -0.32 0.42 0.42 0.04 0.00 0.00 177.00 177.57 1r3b s ILE 106 N 1.53 0.06 -0.37 0.56 -1.09 -0.98 -4.95 121.20 115.96 1r3b s ILE 106 Ca 0.57 -0.76 -0.28 0.00 -2.23 0.00 0.00 60.65 57.95 1r3b s ILE 106 Cb -0.27 -1.39 -0.03 0.00 -1.58 0.00 0.00 42.46 39.20 1r3b s ILE 106 CO 0.26 -0.26 1.90 -0.75 -1.23 0.00 0.00 174.94 174.86 1r3b s LYS 107 N -3.85 3.11 -0.29 2.79 2.20 -1.26 -3.73 119.74 118.71 1r3b s LYS 107 Ca 0.07 1.36 -0.08 0.00 -0.36 0.00 0.00 55.97 56.96 1r3b s LYS 107 Cb 0.01 -4.27 0.14 0.00 -1.51 0.00 0.00 37.83 32.20 1r3b s LYS 107 CO -0.07 -2.13 0.62 0.00 -0.36 0.00 0.00 175.35 173.41 1r3b n SER 109 N 5.44 0.41 0.32 0.00 7.64 -1.26 -4.14 113.62 122.02 1r3b n SER 109 Ca -0.09 -1.33 -0.13 0.00 1.01 0.00 0.00 58.87 58.33 1r3b n SER 109 Cb 0.49 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.48 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 -0.26 -1.06 -0.37 -0.43 0.00 -1.88 -0.78 119.26 114.49 1r3b h ALA 110 Ca -0.08 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.75 1r3b h ALA 110 Cb 0.32 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1r3b h ALA 110 CO 0.10 -1.00 0.50 -1.00 0.00 0.00 0.00 179.25 177.85 1r3b h PRO 111 N -0.96 0.00 0.02 0.00 0.13 -1.86 0.45 132.00 129.78 1r3b h PRO 111 Ca -0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1r3b h PRO 111 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1r3b h PRO 111 CO 0.14 0.00 -0.01 0.87 -0.23 0.00 0.00 178.00 178.77 1r3b h LYS 112 N 0.00 -0.03 -0.49 0.86 1.57 -1.90 -2.97 116.57 113.62 1r3b h LYS 112 Ca 0.17 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1r3b h LYS 112 Cb 1.17 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1r3b h LYS 112 CO -0.00 0.33 0.12 -0.92 -0.57 0.00 0.00 179.45 178.41 1r3b h TYR 113 N -1.00 0.75 -0.84 -1.35 3.20 -0.32 -2.30 116.97 115.11 1r3b h TYR 113 Ca -0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1r3b h TYR 113 Cb 0.37 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 1r3b h TYR 113 CO 0.10 0.64 0.54 0.82 -1.64 0.00 0.00 178.16 178.62 1r3b h ILE 114 N 0.71 1.22 -0.29 1.81 5.03 -0.26 -1.98 117.51 123.76 1r3b h ILE 114 Ca 0.16 -0.43 0.06 0.00 -0.12 0.00 0.00 64.86 64.53 1r3b h ILE 114 Cb 0.27 -0.01 -0.05 0.00 -3.03 0.00 0.00 36.82 34.00 1r3b h ILE 114 CO -0.00 0.22 -0.04 -0.78 -0.68 0.00 0.00 178.15 176.87 1r3b h ASP 115 N 1.15 -0.19 0.06 1.72 3.58 -1.24 0.50 116.42 122.00 1r3b h ASP 115 Ca 0.31 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.78 1r3b h ASP 115 Cb -0.11 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 1r3b h ASP 115 CO -0.06 -0.06 -0.15 1.88 -2.88 0.00 0.00 179.24 177.96 1r3b h TYR 116 N 0.04 0.21 0.04 0.28 0.05 -1.44 0.79 116.97 116.94 1r3b h TYR 116 Ca 0.14 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 1r3b h TYR 116 Cb 0.20 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1r3b h TYR 116 CO -0.25 0.35 -0.02 -0.07 -1.05 0.00 0.00 178.16 177.13 1r3b h LEU 117 N 0.19 -0.04 -0.67 3.88 3.38 -0.36 -2.65 115.31 119.04 1r3b h LEU 117 Ca 0.04 -0.52 -0.13 0.00 0.09 0.00 0.00 57.88 57.36 1r3b h LEU 117 Cb 0.39 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1r3b h LEU 117 CO 0.02 0.51 -0.63 0.24 0.09 0.00 0.00 178.44 178.68 1r3b h MET 118 N -0.62 0.00 0.69 1.13 2.86 0.07 -3.10 114.93 115.96 1r3b h MET 118 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1r3b h MET 118 Cb 0.56 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.22 1r3b h MET 118 CO 0.01 0.63 -0.33 1.15 1.06 0.00 0.00 176.91 179.43 1r3b h THR 119 N 0.00 0.31 0.05 2.22 2.02 0.57 0.71 112.91 118.79 1r3b h THR 119 Ca -0.01 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1r3b h THR 119 Cb 1.16 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 1r3b h THR 119 CO 0.08 0.01 -0.46 -0.25 0.37 0.00 0.00 175.52 175.27 1r3b h TRP 120 N -0.96 -1.33 0.33 3.16 -0.00 -1.53 0.58 115.95 116.20 1r3b h TRP 120 Ca -0.09 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.84 1r3b h TRP 120 Cb 0.72 0.57 -0.03 0.00 -0.00 0.00 0.00 29.16 30.42 1r3b h TRP 120 CO -0.02 -0.54 -0.43 0.28 -0.00 0.00 0.00 178.44 177.73 1r3b h VAL 121 N -0.65 0.14 -0.60 2.65 2.07 -1.52 -0.99 116.25 117.36 1r3b h VAL 121 Ca 0.03 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.72 1r3b h VAL 121 Cb 0.70 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1r3b h VAL 121 CO -0.30 0.00 0.46 1.56 0.02 0.00 0.00 177.57 179.30 1r3b h GLN 122 N -0.80 0.00 0.23 1.57 4.20 0.83 -1.76 115.11 119.38 1r3b h GLN 122 Ca -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1r3b h GLN 122 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1r3b h GLN 122 CO -0.12 0.00 -0.11 0.22 -0.67 0.00 0.00 178.83 178.14 1r3b h ASP 123 N 0.00 -0.27 -0.97 1.46 1.82 0.15 -2.93 116.42 115.68 1r3b h ASP 123 Ca 0.28 -0.23 0.04 0.00 -0.39 0.00 0.00 57.03 56.73 1r3b h ASP 123 Cb 1.20 0.07 -0.06 0.00 0.68 0.00 0.00 39.33 41.22 1r3b h ASP 123 CO -0.00 0.12 0.63 0.06 -1.61 0.00 0.00 179.24 178.44 1r3b h GLN 124 N -0.70 1.19 0.00 0.28 3.07 -0.68 0.94 115.11 119.22 1r3b h GLN 124 Ca -0.03 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.64 1r3b h GLN 124 Cb 0.48 -0.27 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1r3b h GLN 124 CO 0.05 0.79 0.00 -0.07 0.09 0.00 0.00 178.83 179.69 1r3b h LEU 125 N 1.23 0.00 -3.01 0.06 3.38 -1.42 -0.70 115.31 114.84 1r3b h LEU 125 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1r3b h LEU 125 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1r3b h LEU 125 CO -0.12 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.74 1r3b n ASP 126 N -3.05 2.38 -4.06 -0.43 -0.08 0.68 -4.88 116.55 107.10 1r3b n ASP 126 Ca -0.02 -2.42 -0.35 0.00 -1.51 0.00 0.00 54.79 50.49 1r3b n ASP 126 Cb 0.11 -0.21 -0.10 0.00 2.34 0.00 0.00 41.12 43.26 1r3b n ASP 126 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1r3b s ASP 127 N -1.65 5.05 -0.83 1.67 2.15 0.29 -5.01 116.67 118.34 1r3b s ASP 127 Ca 0.16 -2.93 -0.21 0.00 0.43 0.00 0.00 52.55 50.01 1r3b s ASP 127 Cb 0.13 -1.81 -0.19 0.00 -0.30 0.00 0.00 42.92 40.75 1r3b s ASP 127 CO 0.04 -0.33 2.21 1.21 -0.17 0.00 0.00 175.17 178.12 1r3b n GLU 128 N 3.35 0.32 0.00 4.34 2.13 -1.26 -3.32 120.64 126.20 1r3b n GLU 128 Ca 0.08 -0.78 0.00 0.00 0.66 0.00 0.00 57.16 57.12 1r3b n GLU 128 Cb 0.37 -3.01 0.00 0.00 0.27 0.00 0.00 31.44 29.07 1r3b n GLU 128 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1r3b n THR 129 N 7.89 0.00 0.81 6.31 -2.24 -1.26 -4.90 114.28 120.89 1r3b n THR 129 Ca 0.47 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.37 1r3b n THR 129 Cb 0.38 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.83 1r3b n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r3b n LEU 130 N -1.69 2.90 -4.70 3.22 -0.00 -1.21 -4.64 117.00 110.87 1r3b n LEU 130 Ca 0.00 -1.11 -0.23 0.00 -0.00 0.00 0.00 56.01 54.67 1r3b n LEU 130 Cb 0.00 -0.11 -0.07 0.00 -0.00 0.00 0.00 43.42 43.24 1r3b n LEU 130 CO 0.00 0.55 -0.23 -0.36 -0.00 0.00 0.00 177.39 177.35 1r3b s PHE 131 N -1.79 2.67 -0.22 1.47 0.40 -1.26 -4.85 117.98 114.40 1r3b s PHE 131 Ca 0.34 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.99 1r3b s PHE 131 Cb 0.21 -1.58 0.01 0.00 0.51 0.00 0.00 43.02 42.17 1r3b s PHE 131 CO 0.31 0.39 1.05 -1.25 0.70 0.00 0.00 175.22 176.42 1r3b s PRO 132 N -3.80 4.27 0.14 0.24 0.04 -1.26 -4.68 135.00 129.93 1r3b s PRO 132 Ca 0.37 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1r3b s PRO 132 Cb -0.02 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1r3b s PRO 132 CO 0.22 -0.62 0.00 0.43 0.04 0.00 0.00 177.00 177.07 1r3b n SER 133 N 6.27 -1.23 -4.15 6.66 7.64 -1.26 -5.11 113.62 122.44 1r3b n SER 133 Ca 0.12 0.27 -0.10 0.00 1.01 0.00 0.00 58.87 60.17 1r3b n SER 133 Cb 0.46 1.48 -0.10 0.00 -1.01 0.00 0.00 64.21 65.04 1r3b n SER 133 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1r3b s LYS 134 N -2.00 0.86 0.09 1.43 1.02 -1.26 -5.14 119.74 114.74 1r3b s LYS 134 Ca 0.00 -1.39 -0.30 0.00 0.02 0.00 0.00 55.97 54.30 1r3b s LYS 134 Cb 0.00 0.13 -0.06 0.00 -0.52 0.00 0.00 37.83 37.38 1r3b s LYS 134 CO 0.00 -0.18 1.11 -1.50 -0.92 0.00 0.00 175.35 173.86 1r3b s ILE 135 N -3.93 4.18 0.00 2.17 1.10 -1.26 -4.63 121.20 118.83 1r3b s ILE 135 Ca 0.19 1.66 0.00 0.00 -0.51 0.00 0.00 60.65 61.98 1r3b s ILE 135 Cb 0.07 -4.06 0.00 0.00 0.15 0.00 0.00 42.46 38.62 1r3b s ILE 135 CO -0.02 0.18 0.00 0.61 -2.11 0.00 0.00 174.94 173.61 1r3b n GLY 136 N 2.76 -1.75 3.75 1.50 0.00 -1.26 -5.13 105.19 105.06 1r3b n GLY 136 Ca 0.06 0.57 -0.41 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 3.01 -0.45 1.61 1.01 -1.26 -4.97 120.40 119.35 1r3b s VAL 137 Ca 0.00 0.90 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 1r3b s VAL 137 Cb 0.00 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1r3b s VAL 137 CO 0.00 0.17 1.10 -2.16 0.00 0.00 0.00 175.10 174.21 1r3b s PRO 138 N -0.77 3.76 0.05 2.72 0.04 -1.26 -4.93 135.00 134.61 1r3b s PRO 138 Ca 0.54 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 61.94 1r3b s PRO 138 Cb -0.38 -3.88 -0.17 0.00 0.04 0.00 0.00 34.50 30.11 1r3b s PRO 138 CO 0.44 -1.28 1.55 0.74 0.04 0.00 0.00 177.00 178.49 1r3b h PHE 139 N 9.02 -0.02 0.00 0.56 -1.00 -1.94 0.51 116.94 124.06 1r3b h PHE 139 Ca -0.23 -0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.35 1r3b h PHE 139 Cb 1.06 0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.58 1r3b h PHE 139 CO 0.94 0.17 0.06 -2.30 -1.61 0.00 0.00 178.31 175.57 1r3b n PRO 140 N -5.01 1.91 0.00 1.51 -0.02 -1.26 -2.71 135.00 129.42 1r3b n PRO 140 Ca -0.08 -0.99 0.00 0.00 -2.02 0.00 0.00 63.50 60.42 1r3b n PRO 140 Cb 0.12 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1r3b n PRO 140 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1r3b n LYS 141 N 2.67 0.00 -0.08 -0.52 5.02 -1.20 -4.99 118.16 119.06 1r3b n LYS 141 Ca 0.41 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.56 1r3b n LYS 141 Cb 0.76 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.69 1r3b n LYS 141 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1r3b h ASN 142 N 0.00 0.00 -0.32 4.39 -1.24 -0.07 -3.28 115.58 115.06 1r3b h ASN 142 Ca 0.00 -0.36 0.09 0.00 0.71 0.00 0.00 56.30 56.74 1r3b h ASN 142 Cb 0.00 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 1r3b h ASN 142 CO 0.00 1.11 0.32 0.15 -1.29 0.00 0.00 177.43 177.72 1r3b h PHE 143 N -1.00 0.00 0.02 0.67 3.57 -1.23 -0.51 116.94 118.46 1r3b h PHE 143 Ca -0.17 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.33 1r3b h PHE 143 Cb 0.90 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1r3b h PHE 143 CO 0.01 0.00 -0.01 1.98 -2.23 0.00 0.00 178.31 178.06 1r3b h MET 144 N 0.00 -0.03 -0.64 1.11 4.05 -1.67 0.15 114.93 117.90 1r3b h MET 144 Ca 0.15 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.53 1r3b h MET 144 Cb 0.78 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.56 1r3b h MET 144 CO -0.00 0.55 0.23 1.03 0.23 0.00 0.00 176.91 178.95 1r3b h SER 145 N -0.63 0.90 -0.27 1.39 0.87 -1.36 0.80 113.55 115.26 1r3b h SER 145 Ca -0.00 -0.19 -0.14 0.00 -1.23 0.00 0.00 61.79 60.23 1r3b h SER 145 Cb 0.59 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1r3b h SER 145 CO 0.00 0.85 -0.39 1.62 -0.53 0.00 0.00 176.83 178.38 1r3b h VAL 146 N 0.91 1.30 -0.16 2.23 3.04 -1.20 -3.02 116.25 119.34 1r3b h VAL 146 Ca 0.21 -1.58 -0.09 0.00 -1.01 0.00 0.00 66.70 64.23 1r3b h VAL 146 Cb 0.24 1.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.17 1r3b h VAL 146 CO -0.01 0.51 -0.29 0.00 -1.01 0.00 0.00 177.57 176.76 1r3b h ALA 147 N 0.67 1.20 -0.28 3.17 0.00 -0.53 -2.57 119.26 120.93 1r3b h ALA 147 Ca 0.03 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1r3b h ALA 147 Cb 0.98 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1r3b h ALA 147 CO 0.09 0.52 -0.17 -0.22 0.00 0.00 0.00 179.25 179.47 1r3b h LYS 148 N 0.28 0.49 0.00 0.00 1.63 -0.79 -1.18 116.57 117.00 1r3b h LYS 148 Ca 0.04 -0.15 -0.12 0.00 -0.85 0.00 0.00 60.65 59.56 1r3b h LYS 148 Cb 0.66 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.23 1r3b h LYS 148 CO 0.05 0.64 -0.59 0.00 -3.45 0.00 0.00 179.45 176.11 1r3b h THR 149 N 0.44 1.19 0.02 1.00 1.03 -1.37 -2.98 112.91 112.24 1r3b h THR 149 Ca 0.08 -2.19 -0.00 0.00 -0.01 0.00 0.00 66.41 64.28 1r3b h THR 149 Cb 0.56 2.26 0.00 0.00 -1.07 0.00 0.00 68.15 69.90 1r3b h THR 149 CO 0.04 0.58 -0.01 -0.29 -0.01 0.00 0.00 175.52 175.82 1r3b h ILE 150 N 0.00 1.47 -0.52 0.00 2.10 -1.05 -3.00 117.51 116.50 1r3b h ILE 150 Ca -0.01 -1.80 0.06 0.00 1.08 0.00 0.00 64.86 64.19 1r3b h ILE 150 Cb 1.22 2.63 -0.05 0.00 -1.09 0.00 0.00 36.82 39.53 1r3b h ILE 150 CO 0.08 0.44 0.23 -0.07 -1.08 0.00 0.00 178.15 177.75 1r3b h LEU 151 N -0.85 0.30 -1.93 2.19 3.38 -1.32 -0.19 115.31 116.89 1r3b h LEU 151 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1r3b h LEU 151 Cb 0.75 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1r3b h LEU 151 CO 0.00 0.20 -0.03 0.50 0.09 0.00 0.00 178.44 179.21 1r3b h LYS 152 N 0.45 0.00 -0.04 1.13 3.64 -1.64 -2.21 116.57 117.90 1r3b h LYS 152 Ca 0.24 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.38 1r3b h LYS 152 Cb 0.20 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1r3b h LYS 152 CO -0.20 0.03 -0.94 -0.09 -2.27 0.00 0.00 179.45 175.98 1r3b h ARG 153 N 0.00 0.62 -0.00 1.90 9.65 -0.94 -2.37 114.38 123.24 1r3b h ARG 153 Ca -0.00 -0.62 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 1r3b h ARG 153 Cb 0.06 0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1r3b h ARG 153 CO 0.00 1.22 -0.02 -0.07 2.80 0.00 0.00 179.97 183.91 1r3b h LEU 154 N 0.37 -0.05 -0.05 3.80 3.38 -0.59 -1.78 115.31 120.39 1r3b h LEU 154 Ca -0.09 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1r3b h LEU 154 Cb 1.58 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 1r3b h LEU 154 CO 0.18 -0.03 -0.01 0.15 0.09 0.00 0.00 178.44 178.82 1r3b h PHE 155 N -0.03 0.11 -0.45 1.13 3.04 -1.60 -2.26 116.94 116.87 1r3b h PHE 155 Ca 0.01 -0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.03 1r3b h PHE 155 Cb 0.05 -0.03 -0.10 0.00 2.56 0.00 0.00 35.95 38.43 1r3b h PHE 155 CO -0.10 0.44 -0.26 -0.09 -2.02 0.00 0.00 178.31 176.28 1r3b h ARG 156 N -0.25 -0.17 -0.56 1.11 2.43 -1.36 0.78 114.38 116.36 1r3b h ARG 156 Ca 0.01 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1r3b h ARG 156 Cb 0.40 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1r3b h ARG 156 CO 0.00 -0.11 0.20 -0.24 -1.51 0.00 0.00 179.97 178.32 1r3b h VAL 157 N -0.17 1.21 0.05 0.20 3.04 -1.35 -2.89 116.25 116.32 1r3b h VAL 157 Ca 0.20 -0.68 0.01 0.00 -1.01 0.00 0.00 66.70 65.23 1r3b h VAL 157 Cb 0.50 0.56 -0.02 0.00 -2.01 0.00 0.00 31.29 30.32 1r3b h VAL 157 CO -0.55 0.26 -0.12 0.22 -1.01 0.00 0.00 177.57 176.38 1r3b h TYR 158 N 0.80 -0.31 -0.68 3.17 3.20 -0.29 -1.23 116.97 121.64 1r3b h TYR 158 Ca 0.19 0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.26 1r3b h TYR 158 Cb 0.19 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1r3b h TYR 158 CO 0.01 -0.18 0.50 0.00 -1.64 0.00 0.00 178.16 176.86 1r3b h ALA 159 N 0.70 2.62 -0.87 1.82 0.00 -0.91 -0.79 119.26 121.82 1r3b h ALA 159 Ca 0.03 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.09 1r3b h ALA 159 Cb 0.25 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 1r3b h ALA 159 CO -0.09 -0.86 0.44 1.25 0.00 0.00 0.00 179.25 180.00 1r3b h HIS 160 N 0.00 0.75 -0.51 0.00 6.17 -1.12 0.21 115.15 120.65 1r3b h HIS 160 Ca 0.32 0.04 -0.04 0.00 0.71 0.00 0.00 60.37 61.40 1r3b h HIS 160 Cb 1.33 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 31.03 1r3b h HIS 160 CO 0.00 0.12 0.15 0.82 0.71 0.00 0.00 177.93 179.73 1r3b h ILE 161 N 0.57 1.21 0.44 6.26 5.03 -1.22 0.12 117.51 129.92 1r3b h ILE 161 Ca 0.50 -0.71 -0.02 0.00 -0.12 0.00 0.00 64.86 64.51 1r3b h ILE 161 Cb 0.79 0.66 0.00 0.00 -3.03 0.00 0.00 36.82 35.24 1r3b h ILE 161 CO -0.41 0.27 -0.21 1.88 -0.68 0.00 0.00 178.15 178.99 1r3b h TYR 162 N 0.74 -0.55 0.32 1.37 0.05 -0.75 -2.21 116.97 115.94 1r3b h TYR 162 Ca 0.17 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 1r3b h TYR 162 Cb 0.23 0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.15 1r3b h TYR 162 CO 0.01 -0.28 -0.15 0.45 -1.05 0.00 0.00 178.16 177.14 1r3b h HIS 163 N -1.09 -0.40 -0.60 4.88 3.86 -1.12 -2.50 115.15 118.18 1r3b h HIS 163 Ca -0.06 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1r3b h HIS 163 Cb 0.52 0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.09 1r3b h HIS 163 CO 0.01 -0.25 0.40 0.37 0.86 0.00 0.00 177.93 179.32 1r3b h GLN 164 N -0.99 0.59 -0.52 2.45 5.75 -0.96 -3.38 115.11 118.06 1r3b h GLN 164 Ca -0.04 -0.04 -0.23 0.00 -0.15 0.00 0.00 58.65 58.19 1r3b h GLN 164 Cb 0.33 -0.13 -0.17 0.00 1.07 0.00 0.00 27.48 28.57 1r3b h GLN 164 CO 0.07 0.39 -0.55 -2.39 -2.65 0.00 0.00 178.83 173.71 1r3b n HIS 165 N -4.47 -3.24 -0.03 3.99 1.44 -1.09 -4.96 115.22 106.85 1r3b n HIS 165 Ca 0.08 -1.80 -0.12 0.00 -2.01 0.00 0.00 57.72 53.87 1r3b n HIS 165 Cb 0.21 1.38 -0.08 0.00 0.12 0.00 0.00 29.99 31.62 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 4.36 0.20 -0.81 -1.40 3.57 -0.92 -3.05 116.94 118.89 1r3b h PHE 166 Ca -0.06 -0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.50 1r3b h PHE 166 Cb 1.04 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 1r3b h PHE 166 CO 0.07 0.51 0.53 0.22 -2.23 0.00 0.00 178.31 177.41 1r3b h ASP 167 N -0.16 0.68 -0.56 0.41 1.82 -1.86 -0.25 116.42 116.50 1r3b h ASP 167 Ca 0.02 0.02 0.13 0.00 -0.39 0.00 0.00 57.03 56.81 1r3b h ASP 167 Cb 0.45 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.30 1r3b h ASP 167 CO 0.01 0.40 0.39 0.00 -1.61 0.00 0.00 179.24 178.43 1r3b h ALA 168 N 1.59 2.25 -0.43 -0.78 0.00 -1.87 0.12 119.26 120.14 1r3b h ALA 168 Ca 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1r3b h ALA 168 Cb 0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1r3b h ALA 168 CO -0.15 -0.39 0.14 0.28 0.00 0.00 0.00 179.25 179.13 1r3b h VAL 169 N 0.20 1.22 -0.23 0.00 2.07 -1.08 -2.65 116.25 115.78 1r3b h VAL 169 Ca 0.26 -0.71 -0.19 0.00 0.82 0.00 0.00 66.70 66.89 1r3b h VAL 169 Cb 0.77 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1r3b h VAL 169 CO -0.05 0.25 -0.59 0.24 0.02 0.00 0.00 177.57 177.44 1r3b h MET 170 N 0.55 0.81 -0.22 1.57 2.07 -1.14 -2.99 114.93 115.57 1r3b h MET 170 Ca 0.14 -0.56 0.06 0.00 -2.07 0.00 0.00 59.70 57.27 1r3b h MET 170 Cb 0.25 0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.06 1r3b h MET 170 CO -0.01 1.18 0.29 1.96 1.07 0.00 0.00 176.91 181.41 1r3b h GLN 171 N 0.56 0.00 -0.99 1.72 1.08 -0.71 0.11 115.11 116.87 1r3b h GLN 171 Ca -0.01 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.90 1r3b h GLN 171 Cb 1.21 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.47 1r3b h GLN 171 CO 0.13 0.00 0.37 1.28 -0.95 0.00 0.00 178.83 179.66 1r3b n LEU 172 N -3.60 5.11 0.00 1.46 4.77 -1.01 -4.94 117.00 118.79 1r3b n LEU 172 Ca 0.03 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.32 1r3b n LEU 172 Cb 0.42 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1r3b n LEU 172 CO 0.25 0.81 0.00 0.00 -1.33 0.00 0.00 177.39 177.12 1r3b n GLN 173 N -0.43 0.00 -2.21 3.23 6.02 0.38 -4.73 117.38 119.65 1r3b n GLN 173 Ca 0.34 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.90 1r3b n GLN 173 Cb 1.17 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.40 1r3b n GLN 173 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1r3b s GLU 174 N 0.00 3.89 -0.05 -1.09 2.56 -1.26 -4.81 118.70 117.94 1r3b s GLU 174 Ca 0.00 1.60 0.01 0.00 0.00 0.00 0.00 54.97 56.58 1r3b s GLU 174 Cb 0.00 -3.97 -0.04 0.00 2.00 0.00 0.00 34.13 32.12 1r3b s GLU 174 CO 0.00 -1.17 -0.03 -1.91 -0.56 0.00 0.00 175.26 171.59 1r3b n GLU 175 N 7.45 0.98 0.29 4.30 2.13 -1.26 -4.60 120.64 129.93 1r3b n GLU 175 Ca 0.17 0.02 0.18 0.00 0.66 0.00 0.00 57.16 58.20 1r3b n GLU 175 Cb 0.45 -1.12 0.95 0.00 0.27 0.00 0.00 31.44 32.00 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 0.06 1.41 -0.52 4.31 0.00 -1.92 -2.14 119.26 120.47 1r3b h ALA 176 Ca -0.13 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1r3b h ALA 176 Cb 1.22 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1r3b h ALA 176 CO -0.01 -0.21 0.19 0.45 0.00 0.00 0.00 179.25 179.67 1r3b h HIS 177 N 0.00 0.33 -0.21 0.00 3.86 -1.98 0.79 115.15 117.94 1r3b h HIS 177 Ca 0.03 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1r3b h HIS 177 Cb 0.38 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1r3b h HIS 177 CO 0.00 0.10 0.13 1.25 0.86 0.00 0.00 177.93 180.27 1r3b h LEU 178 N 0.37 0.25 -0.56 2.43 5.85 -1.70 -0.27 115.31 121.68 1r3b h LEU 178 Ca 0.25 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 1r3b h LEU 178 Cb 0.28 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1r3b h LEU 178 CO -0.26 0.21 -0.16 -1.13 -0.34 0.00 0.00 178.44 176.76 1r3b h ASN 179 N 0.26 1.00 0.11 1.25 -1.24 -1.51 -2.56 115.58 112.89 1r3b h ASN 179 Ca 0.08 -0.35 -0.01 0.00 0.71 0.00 0.00 56.30 56.73 1r3b h ASN 179 Cb 0.00 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 38.78 1r3b h ASN 179 CO -0.01 1.14 -0.05 0.74 -1.29 0.00 0.00 177.43 177.95 1r3b h THR 180 N 0.86 0.90 -0.17 -3.57 2.02 0.84 -2.23 112.91 111.56 1r3b h THR 180 Ca 0.12 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.29 1r3b h THR 180 Cb 0.73 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1r3b h THR 180 CO 0.06 0.01 0.12 0.28 0.37 0.00 0.00 175.52 176.35 1r3b h SER 181 N -0.17 0.11 -0.74 4.18 0.02 -1.03 -1.41 113.55 114.51 1r3b h SER 181 Ca -0.02 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1r3b h SER 181 Cb 0.13 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1r3b h SER 181 CO 0.03 0.08 0.49 0.15 -1.14 0.00 0.00 176.83 176.43 1r3b h PHE 182 N 0.13 0.88 0.16 3.45 3.57 -0.97 -1.54 116.94 122.61 1r3b h PHE 182 Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1r3b h PHE 182 Cb 0.14 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1r3b h PHE 182 CO -0.00 0.51 -0.08 -0.22 -2.23 0.00 0.00 178.31 176.29 1r3b h LYS 183 N 0.91 -0.22 -0.02 1.11 3.64 -1.14 -0.97 116.57 119.88 1r3b h LYS 183 Ca 0.30 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1r3b h LYS 183 Cb 0.05 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1r3b h LYS 183 CO -0.08 -0.15 -0.09 1.25 -2.27 0.00 0.00 179.45 178.11 1r3b h HIS 184 N -0.23 0.03 -0.00 1.91 2.76 -1.51 0.95 115.15 119.07 1r3b h HIS 184 Ca -0.02 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.03 1r3b h HIS 184 Cb 0.18 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1r3b h HIS 184 CO -0.07 0.12 -0.55 0.35 -1.30 0.00 0.00 177.93 176.49 1r3b h PHE 185 N 0.03 0.02 0.00 5.26 3.57 -0.65 -2.46 116.94 122.71 1r3b h PHE 185 Ca 0.01 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 1r3b h PHE 185 Cb 0.18 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1r3b h PHE 185 CO 0.00 0.56 -1.47 -0.89 -2.23 0.00 0.00 178.31 174.28 1r3b n ILE 186 N -3.89 1.50 -0.30 1.41 5.41 -0.43 -3.92 119.36 119.14 1r3b n ILE 186 Ca -0.01 -0.06 0.16 0.00 1.00 0.00 0.00 62.75 63.84 1r3b n ILE 186 Cb 0.56 -2.12 0.42 0.00 -0.71 0.00 0.00 39.64 37.78 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 0.79 0.22 1.39 -1.00 0.76 0.56 116.94 118.66 1r3b h PHE 187 Ca -0.32 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.47 1r3b h PHE 187 Cb 1.19 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.51 1r3b h PHE 187 CO -0.13 0.19 -0.10 0.35 -1.61 0.00 0.00 178.31 177.00 1r3b h PHE 188 N 0.58 -0.27 -0.04 -0.55 3.57 -1.60 0.50 116.94 119.12 1r3b h PHE 188 Ca 0.52 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.93 1r3b h PHE 188 Cb 1.05 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1r3b h PHE 188 CO -0.00 -0.01 -0.39 -0.24 -2.23 0.00 0.00 178.31 175.43 1r3b h VAL 189 N -0.51 1.29 -0.03 1.41 3.04 -1.42 -2.77 116.25 117.26 1r3b h VAL 189 Ca -0.03 -1.41 -0.25 0.00 -1.01 0.00 0.00 66.70 64.00 1r3b h VAL 189 Cb 0.39 1.70 0.02 0.00 -2.01 0.00 0.00 31.29 31.39 1r3b h VAL 189 CO 0.05 0.41 -0.98 1.56 -1.01 0.00 0.00 177.57 177.60 1r3b h GLN 190 N 0.08 0.70 -0.96 4.17 1.08 0.21 0.38 115.11 120.76 1r3b h GLN 190 Ca 0.01 -0.71 0.01 0.00 -1.45 0.00 0.00 58.65 56.51 1r3b h GLN 190 Cb 0.74 0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 28.31 1r3b h GLN 190 CO 0.05 1.29 0.63 1.49 -0.95 0.00 0.00 178.83 181.35 1r3b h GLU 191 N 0.41 1.25 0.00 1.46 4.81 0.14 -2.24 114.58 120.42 1r3b h GLU 191 Ca -0.11 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1r3b h GLU 191 Cb 1.63 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1r3b h GLU 191 CO 0.19 0.83 -0.83 1.19 -0.73 0.00 0.00 179.01 179.66 1r3b n PHE 192 N -4.42 0.26 -2.85 0.92 3.01 -1.06 -5.00 117.46 108.32 1r3b n PHE 192 Ca 0.11 0.08 -0.11 0.00 1.01 0.00 0.00 57.45 58.53 1r3b n PHE 192 Cb 0.02 -0.42 0.05 0.00 -0.01 0.00 0.00 39.48 39.12 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 -1.87 -4.97 -0.10 4.37 2.85 0.10 -4.96 115.26 110.67 1r3b n ASN 193 Ca 0.03 -0.52 0.07 0.00 -0.11 0.00 0.00 54.58 54.05 1r3b n ASN 193 Cb 0.41 -4.03 0.11 0.00 1.24 0.00 0.00 39.78 37.50 1r3b n ASN 193 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1r3b n LEU 194 N -2.88 2.34 -4.81 1.20 0.00 0.60 -5.01 117.00 108.43 1r3b n LEU 194 Ca -0.08 -2.74 -0.32 0.00 0.00 0.00 0.00 56.01 52.87 1r3b n LEU 194 Cb 0.60 -0.30 0.03 0.00 0.00 0.00 0.00 43.42 43.74 1r3b n LEU 194 CO 0.44 0.65 0.71 0.27 0.00 0.00 0.00 177.39 179.47 1r3b s ILE 195 N -2.28 3.87 -0.08 1.96 -0.00 -1.25 -5.04 121.20 118.38 1r3b s ILE 195 Ca 0.23 0.77 -0.30 0.00 -0.00 0.00 0.00 60.65 61.35 1r3b s ILE 195 Cb 0.20 -3.37 0.10 0.00 -0.00 0.00 0.00 42.46 39.39 1r3b s ILE 195 CO 0.03 -0.64 1.34 -0.67 -0.00 0.00 0.00 174.94 175.00 1r3b n ASP 196 N -2.49 -1.04 -1.26 4.36 2.03 -1.26 -5.14 116.55 111.75 1r3b n ASP 196 Ca 0.08 -1.07 0.16 0.00 0.52 0.00 0.00 54.79 54.48 1r3b n ASP 196 Cb 0.53 1.58 -0.07 0.00 -0.72 0.00 0.00 41.12 42.44 1r3b n ASP 196 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1r3b n ARG 197 N -0.97 -2.78 0.00 -0.67 3.00 -1.26 -4.22 116.66 109.77 1r3b n ARG 197 Ca 0.06 2.14 0.09 0.00 -0.01 0.00 0.00 57.85 60.13 1r3b n ARG 197 Cb 0.57 -3.29 0.42 0.00 0.00 0.00 0.00 32.46 30.16 1r3b n ARG 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1r3b n ARG 198 N -4.07 0.13 -0.17 5.56 5.12 -1.26 -3.46 116.66 118.52 1r3b n ARG 198 Ca -0.05 0.15 0.29 0.00 -1.93 0.00 0.00 57.85 56.32 1r3b n ARG 198 Cb 0.59 -1.50 0.71 0.00 -1.16 0.00 0.00 32.46 31.10 1r3b n ARG 198 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1r3b h GLU 199 N 0.00 0.00 0.00 5.56 4.81 -2.00 0.84 114.58 123.79 1r3b h GLU 199 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1r3b h GLU 199 Cb 0.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1r3b h GLU 199 CO 0.00 0.00 -0.49 -0.07 -0.73 0.00 0.00 179.01 177.72 1r3b h LEU 200 N 0.00 0.00 0.11 1.64 3.38 -1.76 -3.31 115.31 115.36 1r3b h LEU 200 Ca 0.43 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.42 1r3b h LEU 200 Cb 1.93 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.63 1r3b h LEU 200 CO -0.00 0.49 -0.45 0.00 0.09 0.00 0.00 178.44 178.56 1r3b h ALA 201 N 1.51 -0.81 0.00 1.53 0.00 0.46 -3.06 119.26 118.89 1r3b h ALA 201 Ca -0.00 -0.08 -0.45 0.00 0.00 0.00 0.00 54.91 54.38 1r3b h ALA 201 Cb 1.09 0.77 0.02 0.00 0.00 0.00 0.00 17.79 19.67 1r3b h ALA 201 CO 0.06 -1.03 2.72 -0.35 0.00 0.00 0.00 179.25 180.66 1r3b n PRO 202 N -5.47 2.21 0.00 0.00 -0.04 -1.25 -3.36 135.00 127.10 1r3b n PRO 202 Ca -0.07 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 1r3b n PRO 202 Cb 0.39 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 1r3b n PRO 202 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1r3b n LEU 203 N 4.54 0.00 0.28 1.53 0.00 -1.15 -4.82 117.00 117.38 1r3b n LEU 203 Ca 0.49 0.00 0.14 0.00 0.00 0.00 0.00 56.01 56.64 1r3b n LEU 203 Cb 0.18 0.09 0.83 0.00 0.00 0.00 0.00 43.42 44.51 1r3b n LEU 203 CO 0.76 -0.34 1.04 1.56 0.00 0.00 0.00 177.39 180.41 1r3b h GLN 204 N 0.00 0.00 0.00 1.96 1.08 -1.72 -2.21 115.11 114.22 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 0.07 -0.00 1.49 -0.95 0.00 0.00 178.83 179.44 1r3b h GLU 205 N 0.00 -0.00 -0.04 1.46 4.57 -1.89 -2.59 114.58 116.09 1r3b h GLU 205 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1r3b h GLU 205 Cb 0.21 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1r3b h GLU 205 CO 0.01 0.79 -0.16 1.37 -1.18 0.00 0.00 179.01 179.84 1r3b h LEU 206 N -0.81 0.05 -0.13 1.64 8.10 -1.83 -1.39 115.31 120.93 1r3b h LEU 206 Ca -0.00 -0.01 -0.16 0.00 0.11 0.00 0.00 57.88 57.82 1r3b h LEU 206 Cb 0.80 -0.01 0.01 0.00 -0.44 0.00 0.00 40.66 41.01 1r3b h LEU 206 CO 0.00 0.22 -0.54 0.40 -4.11 0.00 0.00 178.44 174.41 1r3b h ILE 207 N 0.05 1.34 -0.43 0.15 1.08 -1.48 -2.22 117.51 116.01 1r3b h ILE 207 Ca 0.01 -1.82 -0.05 0.00 -0.39 0.00 0.00 64.86 62.61 1r3b h ILE 207 Cb 0.32 2.08 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 1r3b h ILE 207 CO 0.02 0.56 0.06 -0.08 -0.69 0.00 0.00 178.15 178.02 1r3b h GLU 208 N 0.25 0.71 -0.41 2.37 4.81 -1.13 -1.20 114.58 119.98 1r3b h GLU 208 Ca -0.03 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1r3b h GLU 208 Cb 1.18 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1r3b h GLU 208 CO 0.11 0.75 0.19 0.87 -0.73 0.00 0.00 179.01 180.20 1r3b h LYS 209 N 0.56 0.60 0.04 1.92 1.57 -1.31 -3.08 116.57 116.87 1r3b h LYS 209 Ca 0.13 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1r3b h LYS 209 Cb 0.39 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1r3b h LYS 209 CO 0.01 0.53 -0.02 1.25 -0.57 0.00 0.00 179.45 180.66 1r3b h LEU 210 N 0.53 -0.04 0.00 2.94 5.85 -1.30 -3.49 115.31 119.79 1r3b h LEU 210 Ca 0.14 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1r3b h LEU 210 Cb 0.14 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1r3b h LEU 210 CO -0.02 0.05 0.00 0.61 -0.34 0.00 0.00 178.44 178.74 1r3b n GLY 211 N -0.89 -1.26 2.68 3.75 0.00 -0.46 -4.95 105.19 104.05 1r3b n GLY 211 Ca -0.08 -2.09 -0.27 0.00 0.00 0.00 0.00 46.02 43.58 1r3b n GLY 211 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3b s SER 212 N -4.00 2.76 -0.31 1.61 1.04 -1.26 -4.86 113.70 108.68 1r3b s SER 212 Ca 0.00 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 1r3b s SER 212 Cb 0.00 -0.45 0.06 0.00 0.10 0.00 0.00 66.02 65.73 1r3b s SER 212 CO 0.00 -0.33 0.02 -0.54 0.98 0.00 0.00 173.24 173.36 1r3b s LYS 213 N 1.97 2.29 -0.07 4.02 -0.14 -1.26 -4.92 119.74 121.63 1r3b s LYS 213 Ca 0.01 -1.39 0.00 0.00 -1.36 0.00 0.00 55.97 53.24 1r3b s LYS 213 Cb -0.17 -3.20 -0.05 0.00 -1.68 0.00 0.00 37.83 32.73 1r3b s LYS 213 CO -0.10 -0.69 -0.07 -3.47 -0.76 0.00 0.00 175.35 170.25 1r3b n ASP 214 N 4.57 3.22 -0.38 2.83 -0.08 -1.26 -5.31 116.55 120.15 1r3b n ASP 214 Ca -0.11 -0.03 0.05 0.00 -1.51 0.00 0.00 54.79 53.19 1r3b n ASP 214 Cb 0.43 -0.13 0.04 0.00 2.34 0.00 0.00 41.12 43.80 1r3b n ASP 214 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18