#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 -0.48 2.96 3.17 0.00 -1.26 -5.11 105.19 104.48 1r3b n GLY 15 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1r3b n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 16 N -1.24 -0.15 -0.13 1.61 0.01 -1.26 -5.14 113.70 107.41 1r3b s SER 16 Ca 0.00 0.34 -0.03 0.00 1.31 0.00 0.00 55.95 57.57 1r3b s SER 16 Cb 0.00 0.25 0.05 0.00 0.21 0.00 0.00 66.02 66.52 1r3b s SER 16 CO 0.00 -0.14 0.06 -0.44 0.41 0.00 0.00 173.24 173.14 1r3b s SER 17 N 1.04 2.03 -0.30 2.44 0.01 -1.26 -5.09 113.70 112.57 1r3b s SER 17 Ca -0.08 -0.40 -0.06 0.00 1.31 0.00 0.00 55.95 56.72 1r3b s SER 17 Cb -0.10 -0.29 0.19 0.00 0.21 0.00 0.00 66.02 66.03 1r3b s SER 17 CO -0.06 -0.30 0.88 -1.38 0.41 0.00 0.00 173.24 172.79 1r3b s HIS 18 N 2.09 -0.98 -0.01 2.43 0.00 -1.26 -5.16 115.29 112.40 1r3b s HIS 18 Ca 0.03 0.75 0.06 0.00 -3.00 0.00 0.00 55.06 52.90 1r3b s HIS 18 Cb -0.15 0.24 -0.02 0.00 -4.00 0.00 0.00 32.58 28.65 1r3b s HIS 18 CO -0.07 -0.56 -0.21 -1.01 -1.00 0.00 0.00 174.74 171.90 1r3b s HIS 19 N 2.91 1.84 -0.27 0.38 4.02 -1.26 -5.11 115.29 117.80 1r3b s HIS 19 Ca 0.15 -0.35 -0.04 0.00 1.02 0.00 0.00 55.06 55.84 1r3b s HIS 19 Cb -0.08 -1.17 0.10 0.00 -1.02 0.00 0.00 32.58 30.40 1r3b s HIS 19 CO -0.20 -0.02 0.15 -3.38 1.02 0.00 0.00 174.74 172.31 1r3b s HIS 20 N -0.52 0.19 -0.04 1.40 0.00 -1.26 -5.12 115.29 109.95 1r3b s HIS 20 Ca 0.08 -0.68 -0.01 0.00 -3.00 0.00 0.00 55.06 51.45 1r3b s HIS 20 Cb -0.08 -0.80 0.03 0.00 -4.00 0.00 0.00 32.58 27.73 1r3b s HIS 20 CO -0.01 -0.79 0.03 -1.01 -1.00 0.00 0.00 174.74 171.97 1r3b s HIS 21 N 2.15 0.19 -0.06 0.38 0.09 -1.26 -5.14 115.29 111.63 1r3b s HIS 21 Ca 0.08 0.12 -0.12 0.00 -0.00 0.00 0.00 55.06 55.14 1r3b s HIS 21 Cb -0.16 -0.45 0.02 0.00 -0.00 0.00 0.00 32.58 32.00 1r3b s HIS 21 CO -0.32 -0.17 0.30 -3.38 -0.00 0.00 0.00 174.74 171.17 1r3b s HIS 22 N 1.64 -0.24 -0.29 1.40 0.00 -1.26 -5.16 115.29 111.39 1r3b s HIS 22 Ca -0.01 0.50 -0.19 0.00 -3.00 0.00 0.00 55.06 52.36 1r3b s HIS 22 Cb -0.13 0.09 0.15 0.00 -4.00 0.00 0.00 32.58 28.70 1r3b s HIS 22 CO -0.03 -0.28 1.07 -3.38 -1.00 0.00 0.00 174.74 171.12 1r3b s HIS 23 N -0.63 -0.44 -0.02 0.38 0.00 -1.26 -5.17 115.29 108.15 1r3b s HIS 23 Ca -0.07 0.93 0.01 0.00 -3.00 0.00 0.00 55.06 52.93 1r3b s HIS 23 Cb -0.04 0.32 0.01 0.00 -4.00 0.00 0.00 32.58 28.88 1r3b s HIS 23 CO 0.02 -0.22 -0.03 0.45 -1.00 0.00 0.00 174.74 173.97 1r3b s SER 24 N 0.91 0.60 -0.04 7.38 0.15 -1.26 -5.15 113.70 116.29 1r3b s SER 24 Ca -0.04 -0.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.49 1r3b s SER 24 Cb -0.04 -0.22 0.01 0.00 -1.71 0.00 0.00 66.02 64.06 1r3b s SER 24 CO -0.12 -0.03 0.12 -0.44 1.20 0.00 0.00 173.24 173.97 1r3b s SER 25 N 0.54 -0.11 0.00 5.45 0.01 -1.26 -5.10 113.70 113.23 1r3b s SER 25 Ca -0.06 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1r3b s SER 25 Cb -0.09 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1r3b s SER 25 CO -0.01 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1r3b n GLY 26 N 2.86 -1.41 2.61 3.44 0.00 -1.26 -5.14 105.19 106.30 1r3b n GLY 26 Ca -0.13 0.86 -0.25 0.00 0.00 0.00 0.00 46.02 46.49 1r3b n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3b s LEU 27 N 0.00 0.29 -0.39 0.99 1.43 -1.26 -5.11 118.68 114.63 1r3b s LEU 27 Ca 0.00 -1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 51.85 1r3b s LEU 27 Cb 0.00 -0.08 0.02 0.00 0.03 0.00 0.00 46.19 46.16 1r3b s LEU 27 CO 0.00 -0.42 0.26 -0.69 0.23 0.00 0.00 176.35 175.73 1r3b s VAL 28 N 2.18 5.03 -0.01 -1.59 1.01 -1.26 -5.06 120.40 120.71 1r3b s VAL 28 Ca 0.09 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1r3b s VAL 28 Cb -0.15 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1r3b s VAL 28 CO -0.35 -0.24 1.57 -2.16 0.00 0.00 0.00 175.10 173.91 1r3b s PRO 29 N 1.64 4.21 0.17 2.72 0.04 -1.26 -5.01 135.00 137.52 1r3b s PRO 29 Ca 0.04 2.14 0.07 0.00 0.04 0.00 0.00 61.00 63.30 1r3b s PRO 29 Cb -0.19 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 1r3b s PRO 29 CO 0.09 -0.74 -0.15 -0.98 0.04 0.00 0.00 177.00 175.26 1r3b s ARG 30 N 3.20 1.23 0.00 4.56 1.70 -1.26 -5.07 118.95 123.31 1r3b s ARG 30 Ca 0.70 -1.46 0.00 0.00 -0.47 0.00 0.00 55.73 54.50 1r3b s ARG 30 Cb -0.34 -1.07 0.00 0.00 -0.57 0.00 0.00 34.95 32.97 1r3b s ARG 30 CO 0.29 0.19 0.00 0.41 -1.08 0.00 0.00 175.30 175.11 1r3b n GLY 31 N -0.03 0.54 2.95 3.88 0.00 -1.26 -5.16 105.19 106.11 1r3b n GLY 31 Ca -0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 -0.18 1.61 1.04 -1.26 -5.05 113.70 109.86 1r3b s SER 32 Ca 0.00 0.28 -0.17 0.00 0.48 0.00 0.00 55.95 56.54 1r3b s SER 32 Cb 0.00 1.28 -0.06 0.00 0.10 0.00 0.00 66.02 67.33 1r3b s SER 32 CO 0.00 -0.30 -0.33 0.00 0.98 0.00 0.00 173.24 173.59 1r3b n ALA 33 N 5.37 0.85 -2.76 5.32 0.00 -1.26 -5.09 120.51 122.95 1r3b n ALA 33 Ca -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 53.44 52.59 1r3b n ALA 33 Cb 0.50 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1r3b n ALA 33 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1r3b n THR 34 N -4.46 -9.68 -3.69 0.00 -2.24 -1.26 -5.06 114.28 87.89 1r3b n THR 34 Ca -0.16 1.91 -0.13 0.00 -2.27 0.00 0.00 64.05 63.41 1r3b n THR 34 Cb 0.52 -5.59 -0.07 0.00 -2.10 0.00 0.00 70.33 63.09 1r3b n THR 34 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1r3b s LEU 35 N -0.75 0.52 0.00 3.22 1.43 -1.26 -5.13 118.68 116.71 1r3b s LEU 35 Ca -0.16 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1r3b s LEU 35 Cb 0.01 1.63 0.00 0.00 0.03 0.00 0.00 46.19 47.86 1r3b s LEU 35 CO 0.58 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 177.14 1r3b n GLY 36 N 0.59 -0.85 3.39 -3.19 0.00 -1.26 -5.18 105.19 98.69 1r3b n GLY 36 Ca -0.19 0.82 -0.13 0.00 0.00 0.00 0.00 46.02 46.51 1r3b n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3b s SER 37 N 0.00 -0.51 0.00 1.61 1.04 -1.26 -5.11 113.70 109.47 1r3b s SER 37 Ca 0.00 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1r3b s SER 37 Cb 0.00 1.01 0.00 0.00 0.10 0.00 0.00 66.02 67.13 1r3b s SER 37 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1r3b n GLY 38 N 2.82 0.72 3.74 7.32 0.00 -1.26 -5.17 105.19 113.36 1r3b n GLY 38 Ca -0.13 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1r3b n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r3b s ASN 39 N 0.00 5.36 -0.07 1.61 2.47 -1.26 -5.05 114.94 118.00 1r3b s ASN 39 Ca 0.00 -0.00 -0.11 0.00 0.42 0.00 0.00 52.86 53.17 1r3b s ASN 39 Cb 0.00 -1.43 -0.07 0.00 -1.45 0.00 0.00 41.25 38.30 1r3b s ASN 39 CO 0.00 0.23 0.45 0.25 -3.72 0.00 0.00 177.10 174.30 1r3b h LEU 40 N 3.80 -0.24 -1.87 3.21 7.12 -2.02 -2.52 115.31 122.80 1r3b h LEU 40 Ca -0.48 -0.09 0.02 0.00 0.13 0.00 0.00 57.88 57.46 1r3b h LEU 40 Cb 1.17 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.35 1r3b h LEU 40 CO 0.62 0.26 0.13 0.08 -0.13 0.00 0.00 178.44 179.40 1r3b h ARG 41 N -1.05 0.17 0.00 1.25 0.11 -1.98 -0.02 114.38 112.86 1r3b h ARG 41 Ca -0.03 -0.01 -0.12 0.00 0.10 0.00 0.00 59.98 59.92 1r3b h ARG 41 Cb 0.31 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.34 1r3b h ARG 41 CO 0.05 0.11 -0.57 0.37 0.10 0.00 0.00 179.97 180.03 1r3b h GLN 42 N 0.17 0.00 0.00 0.08 4.15 -1.84 -2.73 115.11 114.95 1r3b h GLN 42 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1r3b h GLN 42 Cb 0.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1r3b h GLN 42 CO -0.01 0.57 -0.32 0.00 -1.93 0.00 0.00 178.83 177.14 1r3b n ALA 43 N -2.43 2.63 0.00 3.38 0.00 -0.13 -3.79 120.51 120.17 1r3b n ALA 43 Ca -0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 1r3b n ALA 43 Cb 0.58 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.57 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 1.02 -3.58 0.00 2.07 -0.99 -3.47 116.25 111.31 1r3b h VAL 44 Ca 0.00 -2.82 -0.41 0.00 0.82 0.00 0.00 66.70 64.29 1r3b h VAL 44 Cb 0.73 2.54 -0.33 0.00 -1.52 0.00 0.00 31.29 32.71 1r3b h VAL 44 CO 0.00 0.64 -0.78 -0.32 0.02 0.00 0.00 177.57 177.13 1r3b s MET 45 N -2.62 0.86 -0.58 1.57 -2.45 -1.05 -4.92 119.30 110.11 1r3b s MET 45 Ca -0.05 -0.17 -0.34 0.00 -1.25 0.00 0.00 55.69 53.88 1r3b s MET 45 Cb 0.08 -0.83 -0.15 0.00 1.25 0.00 0.00 34.83 35.18 1r3b s MET 45 CO 0.82 -0.01 2.37 1.28 1.05 0.00 0.00 175.02 180.53 1r3b n LEU 46 N 3.74 1.41 -4.66 4.11 4.77 -1.26 -4.68 117.00 120.42 1r3b n LEU 46 Ca -0.23 0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1r3b n LEU 46 Cb 0.52 -1.16 -0.02 0.00 -2.33 0.00 0.00 43.42 40.43 1r3b n LEU 46 CO 0.24 -0.89 1.06 -2.16 -1.33 0.00 0.00 177.39 174.32 1r3b s PRO 47 N 7.34 4.24 0.33 3.23 0.04 -1.26 -4.70 135.00 144.21 1r3b s PRO 47 Ca 1.17 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.84 1r3b s PRO 47 Cb -0.96 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 29.84 1r3b s PRO 47 CO 0.48 -0.69 0.00 -1.91 0.04 0.00 0.00 177.00 174.91 1r3b n GLU 48 N 6.55 -4.44 -1.34 4.56 2.13 -1.26 -4.96 120.64 121.87 1r3b n GLU 48 Ca 0.14 3.21 0.16 0.00 0.66 0.00 0.00 57.16 61.33 1r3b n GLU 48 Cb 0.45 -3.54 -0.07 0.00 0.27 0.00 0.00 31.44 28.56 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r3b n GLY 49 N 0.34 -2.46 3.20 8.31 0.00 -1.26 -4.86 105.19 108.46 1r3b n GLY 49 Ca 0.00 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 1r3b n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r3b s GLU 50 N -3.54 3.09 -0.31 1.61 -1.05 -1.26 -4.90 118.70 112.34 1r3b s GLU 50 Ca 0.00 -0.81 0.00 0.00 -0.15 0.00 0.00 54.97 54.01 1r3b s GLU 50 Cb 0.00 -2.52 0.14 0.00 -0.44 0.00 0.00 34.13 31.31 1r3b s GLU 50 CO 0.00 -0.03 0.31 -0.51 0.95 0.00 0.00 175.26 175.99 1r3b s ASP 51 N 0.87 1.57 0.00 0.83 1.01 -1.26 -5.05 116.67 114.64 1r3b s ASP 51 Ca -0.05 -0.93 -0.15 0.00 0.71 0.00 0.00 52.55 52.13 1r3b s ASP 51 Cb -0.15 0.52 -0.08 0.00 1.01 0.00 0.00 42.92 44.21 1r3b s ASP 51 CO -0.02 -0.36 0.86 -0.07 0.21 0.00 0.00 175.17 175.79 1r3b h LEU 52 N 8.01 -0.47 -1.32 1.23 -0.00 -1.97 0.32 115.31 121.11 1r3b h LEU 52 Ca -0.09 0.02 0.34 0.00 -0.00 0.00 0.00 57.88 58.14 1r3b h LEU 52 Cb 1.07 0.12 -0.11 0.00 -0.00 0.00 0.00 40.66 41.74 1r3b h LEU 52 CO 0.31 -0.22 0.72 -0.55 -0.00 0.00 0.00 178.44 178.70 1r3b h ASN 53 N -0.78 0.38 -0.00 -0.43 -1.07 -1.97 0.54 115.58 112.25 1r3b h ASN 53 Ca -0.06 0.12 -0.10 0.00 0.07 0.00 0.00 56.30 56.33 1r3b h ASN 53 Cb 0.42 0.07 0.01 0.00 -2.07 0.00 0.00 38.32 36.75 1r3b h ASN 53 CO 0.09 -0.05 -0.40 -0.08 0.07 0.00 0.00 177.43 177.06 1r3b h GLU 54 N 0.27 0.28 0.00 4.14 4.81 -1.97 -2.57 114.58 119.54 1r3b h GLU 54 Ca 0.70 -0.30 0.01 0.00 -0.13 0.00 0.00 59.36 59.64 1r3b h GLU 54 Cb 1.92 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 1r3b h GLU 54 CO -0.39 1.00 -0.06 2.35 -0.73 0.00 0.00 179.01 181.18 1r3b h TRP 55 N -0.32 -0.15 -0.39 0.92 -0.00 0.38 0.52 115.95 116.91 1r3b h TRP 55 Ca -0.05 0.00 0.02 0.00 -0.00 0.00 0.00 58.89 58.87 1r3b h TRP 55 Cb 1.14 0.07 -0.03 0.00 -0.00 0.00 0.00 29.16 30.34 1r3b h TRP 55 CO 0.16 -0.10 0.21 0.82 -0.00 0.00 0.00 178.44 179.54 1r3b h ILE 56 N -0.11 1.01 -0.36 2.65 5.03 -0.29 0.28 117.51 125.72 1r3b h ILE 56 Ca 0.02 -0.15 -0.06 0.00 -0.12 0.00 0.00 64.86 64.56 1r3b h ILE 56 Cb 0.14 0.54 -0.02 0.00 -3.03 0.00 0.00 36.82 34.45 1r3b h ILE 56 CO -0.06 0.08 -0.03 0.00 -0.68 0.00 0.00 178.15 177.45 1r3b h ALA 57 N 1.19 1.28 -0.12 1.87 0.00 -1.13 -0.78 119.26 121.56 1r3b h ALA 57 Ca 0.16 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1r3b h ALA 57 Cb 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1r3b h ALA 57 CO -0.10 0.48 -0.16 0.28 0.00 0.00 0.00 179.25 179.75 1r3b h VAL 58 N 0.54 1.37 0.00 0.00 2.07 0.88 -3.13 116.25 117.98 1r3b h VAL 58 Ca 0.11 -1.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.16 1r3b h VAL 58 Cb 0.40 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1r3b h VAL 58 CO 0.02 0.40 -0.45 0.78 0.02 0.00 0.00 177.57 178.33 1r3b h ASN 59 N -0.08 0.00 0.45 0.57 -0.26 -0.35 -1.78 115.58 114.13 1r3b h ASN 59 Ca 0.01 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.73 1r3b h ASN 59 Cb 0.72 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.98 1r3b h ASN 59 CO 0.04 0.45 -0.22 0.74 -1.06 0.00 0.00 177.43 177.38 1r3b h THR 60 N 0.00 0.54 -0.10 2.81 2.02 -1.15 0.91 112.91 117.94 1r3b h THR 60 Ca -0.00 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 1r3b h THR 60 Cb 0.83 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1r3b h THR 60 CO 0.06 0.04 -0.27 0.58 0.37 0.00 0.00 175.52 176.30 1r3b h VAL 61 N -0.75 1.23 0.04 3.16 2.07 -1.56 -0.85 116.25 119.59 1r3b h VAL 61 Ca -0.06 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1r3b h VAL 61 Cb 0.53 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1r3b h VAL 61 CO 0.10 0.33 -0.02 0.44 0.02 0.00 0.00 177.57 178.44 1r3b h ASP 62 N 0.16 -0.04 0.24 0.57 5.19 -1.08 -2.07 116.42 119.38 1r3b h ASP 62 Ca 0.02 -0.41 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 1r3b h ASP 62 Cb 0.56 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.08 1r3b h ASP 62 CO 0.04 0.40 -0.14 -0.26 -3.12 0.00 0.00 179.24 176.15 1r3b h PHE 63 N -0.50 -0.37 -0.76 4.55 0.04 0.10 0.48 116.94 120.48 1r3b h PHE 63 Ca -0.01 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.90 1r3b h PHE 63 Cb 0.45 0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.69 1r3b h PHE 63 CO 0.07 -0.23 0.50 0.35 -0.60 0.00 0.00 178.31 178.41 1r3b h PHE 64 N -0.37 0.55 0.12 -0.55 3.04 -1.22 0.15 116.94 118.66 1r3b h PHE 64 Ca -0.02 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1r3b h PHE 64 Cb 0.31 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1r3b h PHE 64 CO -0.08 0.22 -0.06 -0.97 -2.02 0.00 0.00 178.31 175.40 1r3b h ASN 65 N 0.48 -0.13 -0.26 0.41 -0.73 -0.73 -0.78 115.58 113.83 1r3b h ASN 65 Ca 0.37 -0.43 0.05 0.00 1.87 0.00 0.00 56.30 58.16 1r3b h ASN 65 Cb 0.77 0.03 -0.05 0.00 0.27 0.00 0.00 38.32 39.34 1r3b h ASN 65 CO -0.13 0.44 -0.08 1.56 -0.37 0.00 0.00 177.43 178.86 1r3b h GLN 66 N -0.79 -0.02 -0.29 6.67 4.20 -0.41 0.73 115.11 125.20 1r3b h GLN 66 Ca -0.02 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1r3b h GLN 66 Cb 0.56 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1r3b h GLN 66 CO 0.03 -0.01 0.12 0.97 -0.67 0.00 0.00 178.83 179.26 1r3b h ILE 67 N -0.02 1.17 -0.25 2.54 -0.00 -1.08 -1.74 117.51 118.14 1r3b h ILE 67 Ca 0.13 -0.52 -0.04 0.00 -0.00 0.00 0.00 64.86 64.43 1r3b h ILE 67 Cb 0.21 0.98 -0.01 0.00 -0.00 0.00 0.00 36.82 38.00 1r3b h ILE 67 CO -0.28 0.18 -0.03 -1.13 -0.00 0.00 0.00 178.15 176.88 1r3b h ASN 68 N 0.32 0.35 -0.09 2.19 -0.73 -0.62 -1.75 115.58 115.25 1r3b h ASN 68 Ca 0.10 -0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.18 1r3b h ASN 68 Cb 0.17 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.66 1r3b h ASN 68 CO -0.01 0.44 -0.04 -0.03 -0.37 0.00 0.00 177.43 177.42 1r3b h MET 69 N 0.37 0.19 -0.78 6.67 4.05 0.83 -1.94 114.93 124.33 1r3b h MET 69 Ca 0.08 -0.08 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1r3b h MET 69 Cb 0.30 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.06 1r3b h MET 69 CO 0.01 0.54 0.28 -0.07 0.23 0.00 0.00 176.91 177.90 1r3b h LEU 70 N -0.17 1.09 -1.40 3.39 -0.00 -1.15 -2.24 115.31 114.84 1r3b h LEU 70 Ca 0.02 -0.19 -0.06 0.00 -0.00 0.00 0.00 57.88 57.66 1r3b h LEU 70 Cb 0.48 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1r3b h LEU 70 CO 0.01 0.99 -0.28 0.22 -0.00 0.00 0.00 178.44 179.38 1r3b h TYR 71 N 1.14 0.00 0.00 1.13 5.03 -1.31 -2.48 116.97 120.48 1r3b h TYR 71 Ca 0.25 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.53 1r3b h TYR 71 Cb 0.26 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.53 1r3b h TYR 71 CO 0.02 0.28 -0.15 0.78 -1.32 0.00 0.00 178.16 177.78 1r3b h GLY 72 N 1.23 0.00 1.39 1.82 0.00 -0.71 1.06 103.07 107.86 1r3b h GLY 72 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1r3b h GLY 72 CO 0.04 0.00 -0.65 -0.91 0.00 0.00 0.00 176.54 175.02 1r3b h THR 73 N 0.00 0.06 0.00 4.70 1.35 -1.39 -3.36 112.91 114.27 1r3b h THR 73 Ca -0.00 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 1r3b h THR 73 Cb 0.53 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1r3b h THR 73 CO 0.02 0.03 -0.82 0.00 -0.25 0.00 0.00 175.52 174.51 1r3b n ILE 74 N -2.86 0.00 -0.23 6.82 0.00 -0.98 -4.59 119.36 117.53 1r3b n ILE 74 Ca 0.01 -0.26 0.26 0.00 0.00 0.00 0.00 62.75 62.76 1r3b n ILE 74 Cb 0.56 0.70 0.65 0.00 0.00 0.00 0.00 39.64 41.55 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 0.56 0.00 9.51 1.03 0.10 0.68 112.91 124.80 1r3b h THR 75 Ca 0.00 -0.05 -0.02 0.00 -0.01 0.00 0.00 66.41 66.33 1r3b h THR 75 Cb 0.28 0.40 -0.00 0.00 -1.07 0.00 0.00 68.15 67.75 1r3b h THR 75 CO 0.00 0.03 -0.11 1.05 -0.01 0.00 0.00 175.52 176.48 1r3b h GLU 76 N 0.15 0.00 0.00 0.00 4.11 -1.81 -2.24 114.58 114.79 1r3b h GLU 76 Ca 0.47 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.63 1r3b h GLU 76 Cb 1.61 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.82 1r3b h GLU 76 CO -0.09 0.11 -1.55 0.74 0.07 0.00 0.00 179.01 178.29 1r3b h PHE 77 N 0.00 0.00 -1.97 2.06 -1.00 0.04 -3.45 116.94 112.61 1r3b h PHE 77 Ca -0.00 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 60.19 1r3b h PHE 77 Cb 0.29 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.86 1r3b h PHE 77 CO 0.00 0.99 1.33 0.00 -1.61 0.00 0.00 178.31 179.02 1r3b s THR 79 N 6.29 0.10 0.47 0.00 -1.32 -1.26 -4.81 115.64 115.11 1r3b s THR 79 Ca 0.97 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1r3b s THR 79 Cb -0.51 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1r3b s THR 79 CO 0.42 -0.47 0.00 -0.62 -2.21 0.00 0.00 174.62 171.74 1r3b n GLU 80 N 1.56 -2.95 0.46 7.08 1.02 -1.26 -4.54 120.64 122.01 1r3b n GLU 80 Ca -0.24 2.22 -0.19 0.00 -0.02 0.00 0.00 57.16 58.93 1r3b n GLU 80 Cb 0.55 -3.56 -0.09 0.00 -0.02 0.00 0.00 31.44 28.32 1r3b n GLU 80 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1r3b h SER 81 N -1.39 -0.98 -6.38 1.62 0.87 -1.97 -3.44 113.55 101.89 1r3b h SER 81 Ca -0.09 0.03 -0.34 0.00 -1.23 0.00 0.00 61.79 60.16 1r3b h SER 81 Cb 1.35 0.25 0.02 0.00 -0.44 0.00 0.00 62.40 63.58 1r3b h SER 81 CO 0.05 -0.69 -1.10 1.07 -0.53 0.00 0.00 176.83 175.63 1r3b n THR 82 N -5.58 -4.96 -1.47 2.23 5.66 -1.26 -4.65 114.28 104.24 1r3b n THR 82 Ca -0.15 0.19 0.18 0.00 -3.05 0.00 0.00 64.05 61.22 1r3b n THR 82 Cb 0.46 -4.08 -0.09 0.00 -1.55 0.00 0.00 70.33 65.07 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 -4.39 -7.36 -0.01 0.00 7.64 -1.26 -4.98 113.62 103.26 1r3b n SER 84 Ca -0.09 -0.26 -0.02 0.00 1.01 0.00 0.00 58.87 59.51 1r3b n SER 84 Cb 0.70 -5.03 -0.01 0.00 -1.01 0.00 0.00 64.21 58.86 1r3b n SER 84 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1r3b n VAL 85 N -2.15 0.10 -4.23 0.44 3.14 -1.26 -5.04 118.33 109.33 1r3b n VAL 85 Ca -0.03 -0.03 -0.20 0.00 -2.96 0.00 0.00 64.34 61.11 1r3b n VAL 85 Cb 0.54 -1.06 -0.12 0.00 -1.06 0.00 0.00 33.84 32.13 1r3b n VAL 85 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 1r3b s MET 86 N -2.03 0.93 0.43 1.45 -1.94 -1.26 -4.58 119.30 112.30 1r3b s MET 86 Ca -0.02 -1.00 0.00 0.00 -1.71 0.00 0.00 55.69 52.96 1r3b s MET 86 Cb 0.01 -1.02 -0.01 0.00 2.01 0.00 0.00 34.83 35.82 1r3b s MET 86 CO 0.04 0.23 0.65 -1.54 -0.01 0.00 0.00 175.02 174.39 1r3b s SER 87 N -1.72 5.92 -0.35 3.03 1.04 -1.26 -4.76 113.70 115.60 1r3b s SER 87 Ca 0.01 0.31 -0.09 0.00 0.48 0.00 0.00 55.95 56.66 1r3b s SER 87 Cb -0.10 -1.61 0.03 0.00 0.10 0.00 0.00 66.02 64.44 1r3b s SER 87 CO 0.03 -0.62 0.15 0.00 0.98 0.00 0.00 173.24 173.78 1r3b s ALA 88 N -2.51 3.17 0.00 5.32 0.00 -1.26 -4.28 121.76 122.19 1r3b s ALA 88 Ca 0.47 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1r3b s ALA 88 Cb -0.10 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1r3b s ALA 88 CO 0.37 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1r3b n GLY 89 N 4.91 -1.62 0.10 0.00 0.00 -1.26 -4.99 105.19 102.33 1r3b n GLY 89 Ca -0.12 0.63 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 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 0.21 0.00 1.61 0.13 -2.00 -3.48 132.00 128.47 1r3b h PRO 90 Ca 0.00 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1r3b h PRO 90 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1r3b h PRO 90 CO 0.00 0.65 0.00 0.54 -0.23 0.00 0.00 178.00 178.96 1r3b n ARG 91 N -4.67 0.00 -2.52 0.86 1.74 -1.26 -5.16 116.66 105.65 1r3b n ARG 91 Ca -0.07 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.96 1r3b n ARG 91 Cb 0.33 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.75 1r3b n ARG 91 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1r3b n TYR 92 N -2.33 -0.08 -2.81 -1.55 4.01 -1.26 -4.74 117.16 108.39 1r3b n TYR 92 Ca 0.00 -0.61 -0.42 0.00 -0.16 0.00 0.00 57.90 56.70 1r3b n TYR 92 Cb 0.00 0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.03 1r3b n TYR 92 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1r3b s GLU 93 N -2.33 3.91 -0.13 -0.72 2.56 -1.26 -4.08 118.70 116.66 1r3b s GLU 93 Ca 0.07 0.67 -0.27 0.00 0.00 0.00 0.00 54.97 55.44 1r3b s GLU 93 Cb 0.00 -3.77 0.06 0.00 2.00 0.00 0.00 34.13 32.43 1r3b s GLU 93 CO 0.05 -0.87 0.65 0.71 -0.56 0.00 0.00 175.26 175.23 1r3b s TYR 94 N 3.38 -0.65 0.00 5.30 2.02 -1.26 -4.88 117.35 121.26 1r3b s TYR 94 Ca 0.38 1.32 0.00 0.00 -0.37 0.00 0.00 57.07 58.40 1r3b s TYR 94 Cb -0.13 0.32 0.00 0.00 -0.40 0.00 0.00 41.96 41.76 1r3b s TYR 94 CO 0.16 -0.49 0.00 0.72 -1.57 0.00 0.00 175.55 174.37 1r3b n HIS 95 N 1.65 0.00 -4.35 2.71 8.25 -1.26 -5.12 115.22 117.11 1r3b n HIS 95 Ca -0.17 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.03 1r3b n HIS 95 Cb 0.56 0.39 -0.10 0.00 1.12 0.00 0.00 29.99 31.97 1r3b n HIS 95 CO 0.00 0.00 0.00 1.67 0.64 0.00 0.00 176.34 178.65 1r3b s TRP 96 N -1.79 2.52 -0.05 4.41 -2.14 -1.26 -4.96 118.94 115.67 1r3b s TRP 96 Ca 0.00 -0.27 -0.04 0.00 2.66 0.00 0.00 56.10 58.45 1r3b s TRP 96 Cb 0.00 -1.19 0.02 0.00 -3.10 0.00 0.00 33.47 29.19 1r3b s TRP 96 CO 0.00 0.56 0.08 0.00 -2.66 0.00 0.00 176.95 174.93 1r3b n ALA 97 N -0.17 -2.50 0.00 2.67 0.00 -1.26 -5.02 120.51 114.23 1r3b n ALA 97 Ca -0.10 1.11 0.00 0.00 0.00 0.00 0.00 53.44 54.46 1r3b n ALA 97 Cb 0.57 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1r3b n ALA 97 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1r3b n ASP 98 N 1.83 0.00 -0.11 0.00 5.75 -1.26 -4.88 116.55 117.88 1r3b n ASP 98 Ca -0.14 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.45 1r3b n ASP 98 Cb 0.21 0.21 -0.09 0.00 -1.03 0.00 0.00 41.12 40.42 1r3b n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r3b n GLY 99 N -1.33 -0.33 0.11 6.12 0.00 -1.26 -4.67 105.19 103.83 1r3b n GLY 99 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1r3b n GLY 99 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1r3b h THR 100 N -0.42 1.06 -3.54 2.61 2.02 -2.01 -3.51 112.91 109.12 1r3b h THR 100 Ca -0.52 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 63.90 1r3b h THR 100 Cb 1.60 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.68 1r3b h THR 100 CO -0.22 0.77 -0.87 0.59 0.37 0.00 0.00 175.52 176.17 1r3b n ASN 101 N -3.37 -8.27 0.00 4.18 4.13 -1.26 -5.02 115.26 105.65 1r3b n ASN 101 Ca -0.17 1.19 0.00 0.00 1.68 0.00 0.00 54.58 57.27 1r3b n ASN 101 Cb 1.04 -4.54 0.00 0.00 -1.54 0.00 0.00 39.78 34.74 1r3b n ASN 101 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1r3b n ILE 102 N -0.88 0.00 -3.89 2.41 -5.35 -1.26 -5.00 119.36 105.39 1r3b n ILE 102 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.25 1r3b n ILE 102 Cb 0.00 -0.41 -0.05 0.00 -1.74 0.00 0.00 39.64 37.44 1r3b n ILE 102 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1r3b s LYS 103 N -1.60 2.37 0.43 6.28 1.02 -1.26 -5.11 119.74 121.88 1r3b s LYS 103 Ca 0.00 -1.68 -0.23 0.00 0.02 0.00 0.00 55.97 54.08 1r3b s LYS 103 Cb 0.00 -2.17 -0.08 0.00 -0.52 0.00 0.00 37.83 35.06 1r3b s LYS 103 CO 0.00 -0.12 1.09 0.15 -0.92 0.00 0.00 175.35 175.55 1r3b s LYS 104 N -3.99 3.96 0.07 1.68 1.02 -1.26 -4.99 119.74 116.23 1r3b s LYS 104 Ca 0.43 1.58 -0.31 0.00 0.02 0.00 0.00 55.97 57.70 1r3b s LYS 104 Cb 0.00 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.82 1r3b s LYS 104 CO 0.25 -0.33 1.30 -1.25 -0.92 0.00 0.00 175.35 174.40 1r3b s PRO 105 N -2.68 4.36 0.16 -1.68 0.04 -1.26 -5.02 135.00 128.92 1r3b s PRO 105 Ca 0.61 1.91 -0.13 0.00 0.04 0.00 0.00 61.00 63.44 1r3b s PRO 105 Cb -0.23 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 30.97 1r3b s PRO 105 CO 0.29 -0.38 0.37 0.96 0.04 0.00 0.00 177.00 178.28 1r3b s ILE 106 N 1.32 0.06 0.08 0.56 -4.36 -1.26 -5.13 121.20 112.47 1r3b s ILE 106 Ca 0.62 -1.03 -0.31 0.00 -0.26 0.00 0.00 60.65 59.67 1r3b s ILE 106 Cb -0.32 -1.58 -0.08 0.00 1.25 0.00 0.00 42.46 41.72 1r3b s ILE 106 CO 0.29 -0.29 1.52 -0.54 0.24 0.00 0.00 174.94 176.16 1r3b s LYS 107 N -3.90 4.25 -0.29 0.37 1.02 -1.26 -4.99 119.74 114.94 1r3b s LYS 107 Ca 0.11 2.19 -0.10 0.00 0.02 0.00 0.00 55.97 58.19 1r3b s LYS 107 Cb 0.02 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1r3b s LYS 107 CO -0.04 -0.60 0.15 0.00 -0.92 0.00 0.00 175.35 173.93 1r3b n SER 109 N 5.00 1.01 0.36 0.00 7.64 -1.26 -4.88 113.62 121.48 1r3b n SER 109 Ca -0.14 -1.38 -0.14 0.00 1.01 0.00 0.00 58.87 58.21 1r3b n SER 109 Cb 0.51 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.60 -1.11 -0.06 -0.43 0.00 -1.94 0.21 119.26 116.53 1r3b h ALA 110 Ca -0.07 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1r3b h ALA 110 Cb 0.28 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1r3b h ALA 110 CO 0.11 -1.05 0.09 -1.00 0.00 0.00 0.00 179.25 177.40 1r3b h PRO 111 N -1.03 0.00 0.11 0.00 0.13 -1.87 -2.21 132.00 127.13 1r3b h PRO 111 Ca -0.09 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.85 1r3b h PRO 111 Cb 0.71 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.85 1r3b h PRO 111 CO 0.15 0.00 -0.85 0.87 -0.23 0.00 0.00 178.00 177.94 1r3b h LYS 112 N 0.00 0.23 -0.67 0.86 1.57 -1.92 -3.25 116.57 113.38 1r3b h LYS 112 Ca 0.03 -0.39 0.05 0.00 -1.87 0.00 0.00 60.65 58.48 1r3b h LYS 112 Cb 0.21 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1r3b h LYS 112 CO -0.00 1.19 0.44 -0.92 -0.57 0.00 0.00 179.45 179.59 1r3b h TYR 113 N -0.48 0.71 0.55 -1.35 5.03 -0.01 -1.02 116.97 120.41 1r3b h TYR 113 Ca -0.17 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.13 1r3b h TYR 113 Cb 1.56 -0.24 0.01 0.00 1.55 0.00 0.00 36.73 39.61 1r3b h TYR 113 CO 0.19 0.39 -0.26 0.82 -1.32 0.00 0.00 178.16 177.98 1r3b h ILE 114 N 0.72 0.46 -0.90 1.81 2.04 -1.52 0.20 117.51 120.32 1r3b h ILE 114 Ca 0.28 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.21 1r3b h ILE 114 Cb 0.21 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 1r3b h ILE 114 CO -0.09 0.00 0.59 -0.78 0.00 0.00 0.00 178.15 177.87 1r3b h ASP 115 N -0.74 0.88 -0.43 1.72 1.82 -1.48 -0.81 116.42 117.38 1r3b h ASP 115 Ca -0.08 0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.48 1r3b h ASP 115 Cb 0.57 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.38 1r3b h ASP 115 CO 0.12 0.55 -0.06 1.88 -1.61 0.00 0.00 179.24 180.13 1r3b h TYR 116 N 0.99 0.94 -0.24 0.28 0.05 -0.82 0.77 116.97 118.95 1r3b h TYR 116 Ca 0.40 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 59.01 1r3b h TYR 116 Cb 0.25 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1r3b h TYR 116 CO -0.00 0.89 0.12 1.25 -1.05 0.00 0.00 178.16 179.36 1r3b h LEU 117 N 0.79 0.31 -0.10 3.88 5.85 0.81 -0.80 115.31 126.05 1r3b h LEU 117 Ca 0.14 -0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.56 1r3b h LEU 117 Cb 0.55 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1r3b h LEU 117 CO 0.03 0.34 -0.88 0.24 -0.34 0.00 0.00 178.44 177.83 1r3b h MET 118 N 0.26 0.00 0.64 1.25 2.86 -1.23 -3.26 114.93 115.45 1r3b h MET 118 Ca 0.08 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1r3b h MET 118 Cb 0.10 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.77 1r3b h MET 118 CO -0.01 0.88 -0.31 1.15 1.06 0.00 0.00 176.91 179.68 1r3b h THR 119 N 0.00 0.29 -0.98 2.22 2.02 0.78 -0.86 112.91 116.38 1r3b h THR 119 Ca -0.01 -0.19 0.22 0.00 0.77 0.00 0.00 66.41 67.19 1r3b h THR 119 Cb 1.63 0.35 -0.09 0.00 -1.74 0.00 0.00 68.15 68.30 1r3b h THR 119 CO 0.11 0.02 0.62 -0.25 0.37 0.00 0.00 175.52 176.40 1r3b h TRP 120 N -1.01 0.79 0.37 3.16 7.01 -1.27 0.37 115.95 125.37 1r3b h TRP 120 Ca -0.09 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.92 1r3b h TRP 120 Cb 0.70 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.53 1r3b h TRP 120 CO -0.01 0.16 -0.18 0.28 -2.79 0.00 0.00 178.44 175.90 1r3b h VAL 121 N 0.55 0.53 -0.08 2.65 2.07 -1.56 -3.00 116.25 117.41 1r3b h VAL 121 Ca 0.55 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1r3b h VAL 121 Cb 1.16 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1r3b h VAL 121 CO -0.29 0.10 0.20 -0.61 0.02 0.00 0.00 177.57 176.99 1r3b h GLN 122 N -0.89 0.00 -0.37 1.57 4.15 -0.19 -2.03 115.11 117.34 1r3b h GLN 122 Ca -0.05 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.44 1r3b h GLN 122 Cb 0.54 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.17 1r3b h GLN 122 CO 0.08 0.00 -0.01 0.22 -1.93 0.00 0.00 178.83 177.20 1r3b h ASP 123 N 0.00 -0.17 -0.15 -0.69 1.82 -0.81 0.60 116.42 117.02 1r3b h ASP 123 Ca 0.04 0.09 -0.07 0.00 -0.39 0.00 0.00 57.03 56.69 1r3b h ASP 123 Cb 0.44 0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.61 1r3b h ASP 123 CO -0.00 -0.05 -0.19 1.56 -1.61 0.00 0.00 179.24 178.95 1r3b h GLN 124 N 0.09 0.40 0.00 0.28 7.50 -1.49 0.58 115.11 122.47 1r3b h GLN 124 Ca 0.18 -0.22 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1r3b h GLN 124 Cb 0.26 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.80 1r3b h GLN 124 CO -0.31 0.80 0.13 -0.07 -1.50 0.00 0.00 178.83 177.87 1r3b h LEU 125 N 0.03 0.00 -2.33 1.46 4.07 -1.28 0.34 115.31 117.59 1r3b h LEU 125 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1r3b h LEU 125 Cb 0.74 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1r3b h LEU 125 CO 0.05 0.00 0.00 -0.67 -1.08 0.00 0.00 178.44 176.74 1r3b n ASP 126 N -2.82 1.84 -3.95 -0.43 2.03 0.20 -4.88 116.55 108.54 1r3b n ASP 126 Ca -0.02 -1.69 -0.30 0.00 0.52 0.00 0.00 54.79 53.30 1r3b n ASP 126 Cb 0.18 -0.03 -0.14 0.00 -0.72 0.00 0.00 41.12 40.41 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 -0.72 4.31 -0.55 1.67 1.11 0.20 -5.00 116.67 117.69 1r3b s ASP 127 Ca 0.04 -2.97 -0.27 0.00 0.18 0.00 0.00 52.55 49.53 1r3b s ASP 127 Cb 0.02 -1.62 -0.27 0.00 1.07 0.00 0.00 42.92 42.12 1r3b s ASP 127 CO 0.03 -0.24 1.82 1.21 1.18 0.00 0.00 175.17 179.18 1r3b n GLU 128 N 3.17 0.52 0.00 8.23 2.13 -1.26 -2.91 120.64 130.52 1r3b n GLU 128 Ca 0.05 -1.51 0.00 0.00 0.66 0.00 0.00 57.16 56.36 1r3b n GLU 128 Cb 0.33 -3.07 0.00 0.00 0.27 0.00 0.00 31.44 28.97 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 7.38 0.00 0.77 6.31 -2.24 -1.26 -4.87 114.28 120.38 1r3b n THR 129 Ca 0.46 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.36 1r3b n THR 129 Cb 0.43 -0.10 0.50 0.00 -2.10 0.00 0.00 70.33 69.07 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 -2.35 0.16 -3.73 3.22 -0.00 -1.15 -4.10 117.00 109.06 1r3b n LEU 130 Ca 0.00 0.52 -0.29 0.00 -0.00 0.00 0.00 56.01 56.24 1r3b n LEU 130 Cb 0.00 -0.48 -0.09 0.00 -0.00 0.00 0.00 43.42 42.85 1r3b n LEU 130 CO 0.00 -0.13 0.10 0.49 -0.00 0.00 0.00 177.39 177.85 1r3b n PHE 131 N -1.66 3.50 0.01 1.47 3.01 -1.26 -4.90 117.46 117.63 1r3b n PHE 131 Ca 0.06 -4.16 -0.18 0.00 1.01 0.00 0.00 57.45 54.17 1r3b n PHE 131 Cb 0.30 -0.68 -0.10 0.00 -0.01 0.00 0.00 39.48 38.98 1r3b n PHE 131 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1r3b h PRO 132 N 4.95 0.54 -3.03 -1.08 0.13 -1.96 -3.48 132.00 128.08 1r3b h PRO 132 Ca 0.17 -0.56 -0.41 0.00 -0.87 0.00 0.00 66.00 64.33 1r3b h PRO 132 Cb 0.71 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1r3b h PRO 132 CO 0.81 1.18 -0.53 0.43 -0.23 0.00 0.00 178.00 179.66 1r3b n SER 133 N -4.08 -5.89 -4.14 1.44 7.64 -1.26 -4.97 113.62 102.36 1r3b n SER 133 Ca -0.10 -0.01 -0.09 0.00 1.01 0.00 0.00 58.87 59.67 1r3b n SER 133 Cb 0.74 -4.91 -0.10 0.00 -1.01 0.00 0.00 64.21 58.93 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 -5.05 0.86 -0.14 1.43 1.02 -1.26 -5.08 119.74 111.53 1r3b s LYS 134 Ca 0.00 -1.39 -0.29 0.00 0.02 0.00 0.00 55.97 54.30 1r3b s LYS 134 Cb 0.00 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 1r3b s LYS 134 CO 0.00 -0.22 1.66 0.42 -0.92 0.00 0.00 175.35 176.29 1r3b s ILE 135 N -4.01 3.61 0.00 2.17 1.01 -1.26 -3.92 121.20 118.81 1r3b s ILE 135 Ca 0.20 0.71 0.00 0.00 0.00 0.00 0.00 60.65 61.57 1r3b s ILE 135 Cb 0.08 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1r3b s ILE 135 CO -0.01 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.37 1r3b n GLY 136 N 4.46 1.97 3.94 6.18 0.00 -1.26 -5.15 105.19 115.33 1r3b n GLY 136 Ca 0.19 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 5.19 -1.09 1.61 -7.23 -1.25 -5.01 120.40 112.61 1r3b s VAL 137 Ca 0.00 -0.52 -0.22 0.00 -1.81 0.00 0.00 61.98 59.43 1r3b s VAL 137 Cb 0.00 -3.80 -0.01 0.00 0.56 0.00 0.00 36.38 33.13 1r3b s VAL 137 CO 0.00 -0.31 1.78 -2.16 -0.31 0.00 0.00 175.10 174.10 1r3b s PRO 138 N -3.74 3.09 0.04 4.82 0.04 -1.26 -4.81 135.00 133.17 1r3b s PRO 138 Ca 0.38 -1.08 -0.26 0.00 0.04 0.00 0.00 61.00 60.08 1r3b s PRO 138 Cb -0.10 -5.28 -0.17 0.00 0.04 0.00 0.00 34.50 28.98 1r3b s PRO 138 CO 0.31 -3.03 1.44 0.74 0.04 0.00 0.00 177.00 176.50 1r3b h PHE 139 N 9.73 -0.29 -0.34 0.56 0.04 -1.95 -1.55 116.94 123.14 1r3b h PHE 139 Ca 0.23 -0.01 -0.23 0.00 2.80 0.00 0.00 57.97 60.76 1r3b h PHE 139 Cb 0.96 0.10 -0.09 0.00 2.20 0.00 0.00 35.95 39.11 1r3b h PHE 139 CO 1.28 -0.02 0.26 -0.35 -0.60 0.00 0.00 178.31 178.87 1r3b n PRO 140 N -5.13 1.60 0.00 1.51 -0.04 -1.26 -2.48 135.00 129.20 1r3b n PRO 140 Ca -0.09 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 1r3b n PRO 140 Cb 0.21 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.82 0.00 0.05 0.54 4.01 -1.19 -4.88 118.16 117.50 1r3b n LYS 141 Ca 0.22 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.90 1r3b n LYS 141 Cb 0.56 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 35.00 1r3b n LYS 141 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 1r3b h ASN 142 N 0.00 -0.12 0.10 4.39 -0.73 -1.62 -2.31 115.58 115.29 1r3b h ASN 142 Ca 0.00 -0.35 -0.01 0.00 1.87 0.00 0.00 56.30 57.80 1r3b h ASN 142 Cb 0.00 0.03 -0.00 0.00 0.27 0.00 0.00 38.32 38.62 1r3b h ASN 142 CO 0.00 0.31 -0.06 0.15 -0.37 0.00 0.00 177.43 177.46 1r3b h PHE 143 N -0.59 0.00 -0.21 0.67 3.57 -1.40 -0.83 116.94 118.15 1r3b h PHE 143 Ca -0.01 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.31 1r3b h PHE 143 Cb 0.47 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1r3b h PHE 143 CO 0.06 0.06 -0.57 1.98 -2.23 0.00 0.00 178.31 177.62 1r3b h MET 144 N 0.00 0.75 -0.02 1.11 4.05 -1.38 0.83 114.93 120.27 1r3b h MET 144 Ca -0.00 -0.53 -0.17 0.00 -0.28 0.00 0.00 59.70 58.72 1r3b h MET 144 Cb 0.13 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1r3b h MET 144 CO 0.01 1.15 -0.73 1.03 0.23 0.00 0.00 176.91 178.60 1r3b h SER 145 N 0.48 0.19 0.13 1.39 0.87 -0.82 -1.27 113.55 114.52 1r3b h SER 145 Ca -0.01 -0.13 -0.29 0.00 -1.23 0.00 0.00 61.79 60.13 1r3b h SER 145 Cb 1.19 -0.06 0.03 0.00 -0.44 0.00 0.00 62.40 63.12 1r3b h SER 145 CO 0.12 0.86 -1.20 1.62 -0.53 0.00 0.00 176.83 177.70 1r3b h VAL 146 N 0.10 1.31 -0.14 2.23 3.04 -1.17 -2.70 116.25 118.92 1r3b h VAL 146 Ca -0.02 -2.47 -0.15 0.00 -1.01 0.00 0.00 66.70 63.05 1r3b h VAL 146 Cb 1.29 2.78 -0.01 0.00 -2.01 0.00 0.00 31.29 33.34 1r3b h VAL 146 CO 0.11 0.74 -0.54 0.00 -1.01 0.00 0.00 177.57 176.87 1r3b h ALA 147 N 0.25 0.81 -0.01 3.17 0.00 -0.86 -3.15 119.26 119.47 1r3b h ALA 147 Ca -0.19 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 1r3b h ALA 147 Cb 1.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1r3b h ALA 147 CO 0.23 0.69 -0.80 1.57 0.00 0.00 0.00 179.25 180.94 1r3b h LYS 148 N 0.31 0.18 0.00 0.00 5.09 -1.31 -3.12 116.57 117.72 1r3b h LYS 148 Ca 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 60.65 60.55 1r3b h LYS 148 Cb 1.05 0.05 -0.00 0.00 0.10 0.00 0.00 32.23 33.42 1r3b h LYS 148 CO 0.09 0.89 -0.09 0.00 -2.09 0.00 0.00 179.45 178.25 1r3b h THR 149 N 0.11 0.67 0.08 0.07 1.03 -1.44 -2.67 112.91 110.76 1r3b h THR 149 Ca -0.03 -0.39 -0.00 0.00 -0.01 0.00 0.00 66.41 65.98 1r3b h THR 149 Cb 1.39 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 69.71 1r3b h THR 149 CO 0.12 0.09 -0.04 0.40 -0.01 0.00 0.00 175.52 176.08 1r3b h ILE 150 N 0.00 1.13 -0.81 0.00 2.04 -1.56 -2.12 117.51 116.18 1r3b h ILE 150 Ca -0.00 -1.42 0.15 0.00 1.00 0.00 0.00 64.86 64.59 1r3b h ILE 150 Cb 0.23 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 1r3b h ILE 150 CO 0.01 0.32 0.54 -0.07 0.00 0.00 0.00 178.15 178.94 1r3b h LEU 151 N -0.83 0.47 -0.04 1.44 3.38 -1.55 0.37 115.31 118.54 1r3b h LEU 151 Ca -0.01 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1r3b h LEU 151 Cb 0.60 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1r3b h LEU 151 CO 0.02 0.24 -0.33 0.11 0.09 0.00 0.00 178.44 178.56 1r3b h LYS 152 N 0.50 0.30 -0.21 1.13 6.56 -1.53 -2.62 116.57 120.70 1r3b h LYS 152 Ca 0.40 -0.27 -0.02 0.00 -1.06 0.00 0.00 60.65 59.70 1r3b h LYS 152 Cb 0.85 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.56 1r3b h LYS 152 CO -0.15 0.93 0.04 0.00 -2.06 0.00 0.00 179.45 178.22 1r3b h ARG 153 N -0.24 0.34 -0.25 3.15 2.47 -0.60 0.55 114.38 119.80 1r3b h ARG 153 Ca -0.03 -0.09 0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1r3b h ARG 153 Cb 1.01 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.26 1r3b h ARG 153 CO 0.07 0.47 0.08 -0.07 0.56 0.00 0.00 179.97 181.08 1r3b h LEU 154 N 0.15 0.07 -1.12 3.04 3.38 -0.40 -1.96 115.31 118.46 1r3b h LEU 154 Ca 0.06 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1r3b h LEU 154 Cb 0.29 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1r3b h LEU 154 CO 0.00 0.07 -0.39 0.15 0.09 0.00 0.00 178.44 178.36 1r3b h PHE 155 N 0.19 0.09 0.13 1.13 3.04 -1.41 -2.86 116.94 117.24 1r3b h PHE 155 Ca 0.11 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.05 1r3b h PHE 155 Cb 0.09 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.56 1r3b h PHE 155 CO -0.14 0.47 -0.19 0.00 -2.02 0.00 0.00 178.31 176.44 1r3b h ARG 156 N 0.07 -0.36 -0.48 1.11 3.08 -0.12 -1.45 114.38 116.24 1r3b h ARG 156 Ca 0.01 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1r3b h ARG 156 Cb 0.73 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 1r3b h ARG 156 CO 0.05 -0.24 0.03 -0.24 -1.07 0.00 0.00 179.97 178.51 1r3b h VAL 157 N -0.37 1.23 -0.03 2.04 3.04 -1.45 -3.05 116.25 117.65 1r3b h VAL 157 Ca 0.02 -0.93 0.03 0.00 -1.01 0.00 0.00 66.70 64.81 1r3b h VAL 157 Cb 0.38 0.83 -0.04 0.00 -2.01 0.00 0.00 31.29 30.46 1r3b h VAL 157 CO -0.09 0.33 -0.16 0.22 -1.01 0.00 0.00 177.57 176.86 1r3b h TYR 158 N 0.73 -0.41 -0.68 3.17 3.20 -1.22 -0.99 116.97 120.77 1r3b h TYR 158 Ca 0.15 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.15 1r3b h TYR 158 Cb 0.39 0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.77 1r3b h TYR 158 CO 0.02 -0.23 0.25 0.00 -1.64 0.00 0.00 178.16 176.56 1r3b h ALA 159 N 0.72 0.90 0.18 1.82 0.00 -1.17 0.72 119.26 122.44 1r3b h ALA 159 Ca 0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1r3b h ALA 159 Cb 0.33 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1r3b h ALA 159 CO -0.18 -0.21 -0.09 1.12 0.00 0.00 0.00 179.25 179.89 1r3b h HIS 160 N 0.41 -0.23 -0.78 0.00 2.07 -1.48 -2.75 115.15 112.39 1r3b h HIS 160 Ca 0.36 -0.01 0.06 0.00 -2.85 0.00 0.00 60.37 57.93 1r3b h HIS 160 Cb 0.50 0.08 -0.05 0.00 2.57 0.00 0.00 27.41 30.51 1r3b h HIS 160 CO -0.18 0.19 0.51 -0.84 -3.07 0.00 0.00 177.93 174.54 1r3b h ILE 161 N -0.78 1.06 0.35 6.12 -0.00 -0.98 0.32 117.51 123.59 1r3b h ILE 161 Ca -0.03 -0.30 -0.00 0.00 -0.00 0.00 0.00 64.86 64.53 1r3b h ILE 161 Cb 0.52 0.11 -0.02 0.00 -0.00 0.00 0.00 36.82 37.42 1r3b h ILE 161 CO 0.04 0.16 -0.36 0.22 -0.00 0.00 0.00 178.15 178.21 1r3b h TYR 162 N 0.87 -0.96 0.00 0.16 5.03 0.46 0.57 116.97 123.10 1r3b h TYR 162 Ca 0.33 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.60 1r3b h TYR 162 Cb 0.19 0.38 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 1r3b h TYR 162 CO -0.00 -0.50 -0.24 0.45 -1.32 0.00 0.00 178.16 176.55 1r3b h HIS 163 N -0.73 0.00 0.04 -3.82 3.86 -1.15 -3.28 115.15 110.07 1r3b h HIS 163 Ca -0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1r3b h HIS 163 Cb 0.66 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1r3b h HIS 163 CO -0.21 0.24 -0.02 1.96 0.86 0.00 0.00 177.93 180.76 1r3b h GLN 164 N 0.00 -0.06 -2.74 2.45 7.50 0.20 -3.39 115.11 119.08 1r3b h GLN 164 Ca -0.00 0.00 -0.80 0.00 0.50 0.00 0.00 58.65 58.36 1r3b h GLN 164 Cb 0.81 0.01 -0.24 0.00 0.05 0.00 0.00 27.48 28.11 1r3b h GLN 164 CO 0.03 -0.04 1.22 0.72 -1.50 0.00 0.00 178.83 179.26 1r3b n HIS 165 N -3.94 2.53 0.09 2.96 8.25 0.20 -4.76 115.22 120.54 1r3b n HIS 165 Ca -0.01 -2.62 -0.13 0.00 -0.26 0.00 0.00 57.72 54.71 1r3b n HIS 165 Cb 0.02 -1.39 -0.08 0.00 1.12 0.00 0.00 29.99 29.66 1r3b n HIS 165 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1r3b h PHE 166 N 4.98 -0.22 -0.79 4.41 3.04 -1.76 -2.84 116.94 123.76 1r3b h PHE 166 Ca 0.39 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.37 1r3b h PHE 166 Cb 0.48 0.07 -0.05 0.00 2.56 0.00 0.00 35.95 39.02 1r3b h PHE 166 CO 1.22 0.14 0.50 0.22 -2.02 0.00 0.00 178.31 178.38 1r3b h ASP 167 N -0.63 0.82 -0.95 0.41 1.82 -1.92 -1.86 116.42 114.13 1r3b h ASP 167 Ca -0.02 0.00 0.10 0.00 -0.39 0.00 0.00 57.03 56.72 1r3b h ASP 167 Cb 0.46 -0.18 -0.07 0.00 0.68 0.00 0.00 39.33 40.22 1r3b h ASP 167 CO 0.04 0.56 0.61 0.00 -1.61 0.00 0.00 179.24 178.84 1r3b h ALA 168 N 1.34 1.57 -0.41 -0.78 0.00 -1.93 0.31 119.26 119.37 1r3b h ALA 168 Ca 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 1r3b h ALA 168 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1r3b h ALA 168 CO -0.12 0.23 -0.17 0.28 0.00 0.00 0.00 179.25 179.47 1r3b h VAL 169 N 0.96 1.26 -0.11 0.00 2.07 -1.09 -2.43 116.25 116.92 1r3b h VAL 169 Ca 0.44 -1.25 -0.17 0.00 0.82 0.00 0.00 66.70 66.55 1r3b h VAL 169 Cb 0.41 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1r3b h VAL 169 CO -0.20 0.42 -0.64 0.24 0.02 0.00 0.00 177.57 177.40 1r3b h MET 170 N 0.68 0.40 -0.00 1.57 2.07 -0.69 -3.05 114.93 115.91 1r3b h MET 170 Ca 0.10 -0.29 -0.06 0.00 -2.07 0.00 0.00 59.70 57.39 1r3b h MET 170 Cb 0.66 0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.43 1r3b h MET 170 CO 0.05 0.91 -0.27 0.37 1.07 0.00 0.00 176.91 179.04 1r3b h GLN 171 N 0.29 0.00 -1.87 1.72 -0.00 -0.20 -2.94 115.11 112.11 1r3b h GLN 171 Ca -0.01 -0.00 -0.41 0.00 -0.00 0.00 0.00 58.65 58.22 1r3b h GLN 171 Cb 1.19 -0.00 -0.15 0.00 0.00 0.00 0.00 27.48 28.52 1r3b h GLN 171 CO 0.11 0.28 0.31 1.47 0.00 0.00 0.00 178.83 180.99 1r3b n LEU 172 N -4.21 6.32 -1.86 -2.39 -0.00 -0.94 -4.83 117.00 109.10 1r3b n LEU 172 Ca -0.02 -3.74 -0.02 0.00 -0.00 0.00 0.00 56.01 52.23 1r3b n LEU 172 Cb 0.32 -1.21 -0.01 0.00 -0.00 0.00 0.00 43.42 42.52 1r3b n LEU 172 CO 0.38 1.58 -0.21 0.00 -0.00 0.00 0.00 177.39 179.14 1r3b n GLN 173 N 0.92 -1.41 -0.67 1.47 1.13 -1.15 -4.95 117.38 112.72 1r3b n GLN 173 Ca 0.42 1.41 0.09 0.00 -1.94 0.00 0.00 57.00 56.99 1r3b n GLN 173 Cb 0.60 -2.33 -0.02 0.00 0.11 0.00 0.00 30.24 28.60 1r3b n GLN 173 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1r3b n GLU 174 N 0.48 -1.36 -0.63 -1.09 1.02 -1.12 -4.61 120.64 113.33 1r3b n GLU 174 Ca -0.11 0.89 0.06 0.00 -0.02 0.00 0.00 57.16 57.98 1r3b n GLU 174 Cb 0.17 -1.65 0.14 0.00 -0.02 0.00 0.00 31.44 30.07 1r3b n GLU 174 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1r3b n GLU 175 N -2.33 1.05 0.01 3.49 0.00 -1.26 -3.54 120.64 118.05 1r3b n GLU 175 Ca 0.00 -2.66 -0.13 0.00 0.00 0.00 0.00 57.16 54.38 1r3b n GLU 175 Cb 0.31 -1.17 -0.14 0.00 0.00 0.00 0.00 31.44 30.44 1r3b n GLU 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1r3b h ALA 176 N 0.66 0.57 0.11 4.31 0.00 -1.89 -3.33 119.26 119.68 1r3b h ALA 176 Ca -0.04 -1.33 0.02 0.00 0.00 0.00 0.00 54.91 53.56 1r3b h ALA 176 Cb 1.21 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 1r3b h ALA 176 CO 0.02 1.41 -0.38 0.45 0.00 0.00 0.00 179.25 180.75 1r3b h HIS 177 N 0.03 -1.06 -0.50 0.00 3.86 -1.85 0.15 115.15 115.78 1r3b h HIS 177 Ca -0.28 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.03 1r3b h HIS 177 Cb 2.00 0.45 -0.06 0.00 1.06 0.00 0.00 27.41 30.86 1r3b h HIS 177 CO 0.03 -0.48 0.16 1.25 0.86 0.00 0.00 177.93 179.74 1r3b h LEU 178 N -0.61 0.14 -2.11 2.43 5.85 -1.93 0.71 115.31 119.79 1r3b h LEU 178 Ca 0.03 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1r3b h LEU 178 Cb 0.64 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1r3b h LEU 178 CO -0.23 0.10 -0.04 -1.13 -0.34 0.00 0.00 178.44 176.80 1r3b h ASN 179 N 0.32 0.00 0.34 1.25 -1.24 -1.54 -2.71 115.58 112.01 1r3b h ASN 179 Ca 0.24 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.25 1r3b h ASN 179 Cb 0.28 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 1r3b h ASN 179 CO -0.27 0.04 -0.25 0.74 -1.29 0.00 0.00 177.43 176.40 1r3b h THR 180 N 0.00 0.46 -0.77 -3.57 2.02 0.17 -1.64 112.91 109.59 1r3b h THR 180 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 1r3b h THR 180 Cb 0.09 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1r3b h THR 180 CO 0.01 0.00 0.51 -1.28 0.37 0.00 0.00 175.52 175.12 1r3b h SER 181 N -0.59 0.79 -0.37 4.18 0.87 -1.38 -0.65 113.55 116.39 1r3b h SER 181 Ca -0.03 -0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1r3b h SER 181 Cb 0.51 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1r3b h SER 181 CO -0.00 0.53 0.17 0.15 -0.53 0.00 0.00 176.83 177.15 1r3b h PHE 182 N 0.91 0.32 -0.18 2.24 3.57 -1.26 0.27 116.94 122.80 1r3b h PHE 182 Ca 0.32 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 1r3b h PHE 182 Cb 0.12 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1r3b h PHE 182 CO -0.00 0.16 -0.06 -0.22 -2.23 0.00 0.00 178.31 175.96 1r3b h LYS 183 N 0.36 0.37 0.00 1.11 3.64 -0.61 -2.61 116.57 118.83 1r3b h LYS 183 Ca 0.16 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1r3b h LYS 183 Cb 0.08 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1r3b h LYS 183 CO -0.12 0.65 -0.06 1.25 -2.27 0.00 0.00 179.45 178.89 1r3b h HIS 184 N 0.07 0.00 0.00 1.91 2.76 -0.86 0.94 115.15 119.97 1r3b h HIS 184 Ca 0.04 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.06 1r3b h HIS 184 Cb 0.52 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 1r3b h HIS 184 CO 0.06 0.06 -0.74 0.74 -1.30 0.00 0.00 177.93 176.75 1r3b h PHE 185 N 0.00 0.00 0.00 5.26 0.04 -0.23 -3.16 116.94 118.85 1r3b h PHE 185 Ca -0.00 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 1r3b h PHE 185 Cb 0.13 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.23 1r3b h PHE 185 CO 0.00 0.74 -1.91 -0.89 -0.60 0.00 0.00 178.31 175.65 1r3b n ILE 186 N -3.55 1.52 -0.16 -0.55 2.08 -0.50 -4.13 119.36 114.07 1r3b n ILE 186 Ca -0.00 -0.20 0.29 0.00 0.56 0.00 0.00 62.75 63.40 1r3b n ILE 186 Cb 0.74 -1.99 0.70 0.00 -0.75 0.00 0.00 39.64 38.34 1r3b n ILE 186 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1r3b h PHE 187 N -1.00 0.00 0.02 1.39 -1.00 0.71 0.15 116.94 117.21 1r3b h PHE 187 Ca -0.50 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.28 1r3b h PHE 187 Cb 1.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.97 1r3b h PHE 187 CO -0.06 0.00 -0.01 0.35 -1.61 0.00 0.00 178.31 176.98 1r3b h PHE 188 N 0.00 -0.03 -0.63 -0.55 3.04 -1.73 -2.55 116.94 114.49 1r3b h PHE 188 Ca 0.42 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.37 1r3b h PHE 188 Cb 1.94 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 40.43 1r3b h PHE 188 CO 0.00 0.44 0.36 -0.39 -2.02 0.00 0.00 178.31 176.70 1r3b h VAL 189 N -0.50 1.18 0.00 1.41 -1.51 -0.90 -0.59 116.25 115.34 1r3b h VAL 189 Ca -0.00 -0.44 -0.06 0.00 -1.23 0.00 0.00 66.70 64.96 1r3b h VAL 189 Cb 0.48 0.32 -0.01 0.00 -2.13 0.00 0.00 31.29 29.95 1r3b h VAL 189 CO 0.01 0.20 -0.30 -0.61 -1.23 0.00 0.00 177.57 175.63 1r3b h GLN 190 N 0.87 0.00 0.00 5.19 -0.00 -1.25 3.74 115.11 123.66 1r3b h GLN 190 Ca 0.23 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.72 1r3b h GLN 190 Cb -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.45 1r3b h GLN 190 CO -0.04 0.30 -1.07 1.49 0.00 0.00 0.00 178.83 179.52 1r3b h GLU 191 N 0.00 0.00 0.00 1.69 4.57 -0.85 -3.38 114.58 116.62 1r3b h GLU 191 Ca -0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1r3b h GLU 191 Cb 0.55 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.02 1r3b h GLU 191 CO 0.04 0.46 -0.60 1.19 -1.18 0.00 0.00 179.01 178.93 1r3b n PHE 192 N -3.07 0.00 0.01 0.92 3.01 -0.33 -4.97 117.46 113.03 1r3b n PHE 192 Ca -0.05 -0.51 0.00 0.00 1.01 0.00 0.00 57.45 57.91 1r3b n PHE 192 Cb 0.83 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 40.18 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 -0.20 -0.20 0.00 4.37 2.85 1.08 -4.92 115.26 118.22 1r3b n ASN 193 Ca 0.07 0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 1r3b n ASN 193 Cb 0.83 0.63 0.00 0.00 1.24 0.00 0.00 39.78 42.48 1r3b n ASN 193 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1r3b n LEU 194 N -2.55 0.25 -4.80 1.20 4.32 0.72 -4.90 117.00 111.24 1r3b n LEU 194 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.67 1r3b n LEU 194 Cb 0.00 -0.60 0.05 0.00 -1.62 0.00 0.00 43.42 41.25 1r3b n LEU 194 CO 0.00 -0.17 0.71 -0.51 -1.22 0.00 0.00 177.39 176.20 1r3b s ILE 195 N -2.71 3.72 0.00 -0.08 1.10 -1.26 -4.97 121.20 117.00 1r3b s ILE 195 Ca 0.00 0.64 0.00 0.00 -0.51 0.00 0.00 60.65 60.78 1r3b s ILE 195 Cb 0.00 -3.25 0.00 0.00 0.15 0.00 0.00 42.46 39.36 1r3b s ILE 195 CO 0.00 -0.65 0.00 -0.90 -2.11 0.00 0.00 174.94 171.28 1r3b n ASP 196 N -2.89 0.00 -0.32 4.50 5.75 -1.26 -4.83 116.55 117.49 1r3b n ASP 196 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 1r3b n ASP 196 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1r3b n ASP 196 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1r3b n ARG 197 N -0.99 0.00 0.24 0.11 5.12 -1.26 -0.82 116.66 119.06 1r3b n ARG 197 Ca 0.00 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.05 1r3b n ARG 197 Cb 0.00 0.00 0.50 0.00 -1.16 0.00 0.00 32.46 31.80 1r3b n ARG 197 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1r3b h ARG 198 N 0.00 0.00 0.41 5.56 2.47 -2.00 -2.58 114.38 118.24 1r3b h ARG 198 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1r3b h ARG 198 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1r3b h ARG 198 CO 0.00 0.13 -0.20 0.93 0.56 0.00 0.00 179.97 181.39 1r3b h GLU 199 N 0.00 -0.53 -0.63 0.04 5.08 -2.00 -2.88 114.58 113.66 1r3b h GLU 199 Ca -0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1r3b h GLU 199 Cb 0.70 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1r3b h GLU 199 CO 0.02 -0.28 0.00 1.28 -1.00 0.00 0.00 179.01 179.02 1r3b n LEU 200 N -5.27 3.28 0.25 1.33 4.77 0.00 -4.41 117.00 116.94 1r3b n LEU 200 Ca -0.11 -1.65 -0.10 0.00 -0.03 0.00 0.00 56.01 54.11 1r3b n LEU 200 Cb 0.27 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1r3b n LEU 200 CO 0.34 0.52 0.30 0.00 -1.33 0.00 0.00 177.39 177.23 1r3b h ALA 201 N 3.45 -0.74 -0.33 -1.18 0.00 -1.23 -3.41 119.26 115.82 1r3b h ALA 201 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1r3b h ALA 201 Cb 1.08 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1r3b h ALA 201 CO 0.18 -0.69 0.06 -1.25 0.00 0.00 0.00 179.25 177.55 1r3b s PRO 202 N -3.82 1.57 0.00 0.00 0.04 -1.26 -2.95 135.00 128.59 1r3b s PRO 202 Ca -0.10 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1r3b s PRO 202 Cb 0.01 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 29.72 1r3b s PRO 202 CO 0.30 -4.58 0.00 1.47 0.04 0.00 0.00 177.00 174.22 1r3b n LEU 203 N 18.65 0.00 0.23 -3.56 -0.00 -1.26 -4.95 117.00 126.11 1r3b n LEU 203 Ca 0.46 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.56 1r3b n LEU 203 Cb 0.44 0.00 0.51 0.00 -0.00 0.00 0.00 43.42 44.37 1r3b n LEU 203 CO 0.55 0.00 0.83 -0.61 -0.00 0.00 0.00 177.39 178.16 1r3b h GLN 204 N 0.00 0.00 0.02 1.47 -0.00 -1.79 -2.51 115.11 112.29 1r3b h GLN 204 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.49 1r3b h GLN 204 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.49 1r3b h GLN 204 CO 0.00 0.23 -0.64 1.49 0.00 0.00 0.00 178.83 179.92 1r3b h GLU 205 N 0.00 0.40 -0.25 1.69 4.81 -1.93 -2.97 114.58 116.33 1r3b h GLU 205 Ca -0.00 -0.45 -0.13 0.00 -0.13 0.00 0.00 59.36 58.64 1r3b h GLU 205 Cb 0.64 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1r3b h GLU 205 CO 0.03 1.12 -0.39 1.37 -0.73 0.00 0.00 179.01 180.42 1r3b h LEU 206 N -0.13 0.61 -0.17 1.64 8.10 -1.91 -1.84 115.31 121.61 1r3b h LEU 206 Ca -0.08 -0.27 -0.03 0.00 0.11 0.00 0.00 57.88 57.60 1r3b h LEU 206 Cb 1.36 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 41.40 1r3b h LEU 206 CO 0.12 0.94 -0.03 -0.29 -4.11 0.00 0.00 178.44 175.07 1r3b h ILE 207 N 0.48 1.28 -0.39 0.15 -0.00 -1.55 -2.13 117.51 115.35 1r3b h ILE 207 Ca 0.04 -0.97 -0.12 0.00 -0.00 0.00 0.00 64.86 63.82 1r3b h ILE 207 Cb 0.89 1.58 -0.01 0.00 -0.00 0.00 0.00 36.82 39.27 1r3b h ILE 207 CO 0.08 0.29 -0.24 1.05 -0.00 0.00 0.00 178.15 179.33 1r3b h GLU 208 N 0.03 0.78 -0.44 2.19 -0.00 -1.54 -2.95 114.58 112.65 1r3b h GLU 208 Ca 0.04 -0.32 -0.06 0.00 -0.00 0.00 0.00 59.36 59.02 1r3b h GLU 208 Cb 0.45 -0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 29.15 1r3b h GLU 208 CO 0.01 0.94 0.02 -0.22 -0.00 0.00 0.00 179.01 179.77 1r3b h LYS 209 N 0.68 0.71 -0.61 1.06 3.64 -1.31 -2.83 116.57 117.91 1r3b h LYS 209 Ca 0.09 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1r3b h LYS 209 Cb 0.75 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1r3b h LYS 209 CO 0.06 0.71 0.36 1.25 -2.27 0.00 0.00 179.45 179.56 1r3b h LEU 210 N 0.67 0.58 -6.19 5.20 5.85 -1.21 -3.41 115.31 116.81 1r3b h LEU 210 Ca 0.14 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1r3b h LEU 210 Cb 0.38 -0.11 -0.25 0.00 0.37 0.00 0.00 40.66 41.05 1r3b h LEU 210 CO 0.01 0.40 -0.43 -0.83 -0.34 0.00 0.00 178.44 177.24 1r3b s GLY 211 N -2.87 -0.84 -0.30 3.75 0.00 -1.08 -5.13 107.32 100.85 1r3b s GLY 211 Ca -0.13 0.87 -0.18 0.00 0.00 0.00 0.00 44.72 45.28 1r3b s GLY 211 CO 0.75 3.24 1.22 -0.45 0.00 0.00 0.00 173.10 177.86 1r3b s SER 212 N 2.69 -0.17 -0.62 1.64 0.15 -1.11 -4.76 113.70 111.52 1r3b s SER 212 Ca 0.12 0.24 0.03 0.00 0.70 0.00 0.00 55.95 57.04 1r3b s SER 212 Cb -0.13 1.17 0.15 0.00 -1.71 0.00 0.00 66.02 65.51 1r3b s SER 212 CO -0.25 -0.03 0.39 -1.59 1.20 0.00 0.00 173.24 172.96 1r3b s LYS 213 N 1.91 2.31 -0.30 5.44 0.00 -1.26 -4.94 119.74 122.89 1r3b s LYS 213 Ca -0.02 -2.86 0.02 0.00 0.00 0.00 0.00 55.97 53.11 1r3b s LYS 213 Cb -0.02 -3.47 0.16 0.00 0.00 0.00 0.00 37.83 34.50 1r3b s LYS 213 CO -0.15 -1.18 0.39 0.34 0.00 0.00 0.00 175.35 174.75 1r3b s ASP 214 N -0.43 0.67 0.00 0.03 -1.08 -1.26 -5.30 116.67 109.30 1r3b s ASP 214 Ca 0.20 -0.62 0.28 0.00 -0.52 0.00 0.00 52.55 51.88 1r3b s ASP 214 Cb -0.18 0.95 1.64 0.00 -1.46 0.00 0.00 42.92 43.87 1r3b s ASP 214 CO -0.06 -0.34 1.99 -1.14 0.52 0.00 0.00 175.17 176.14