#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b46 s ASP 2 N 0.00 4.88 -0.15 0.00 1.01 -1.26 -4.82 116.67 116.33 1b46 s ASP 2 Ca 0.00 -2.61 -0.29 0.00 0.71 0.00 0.00 52.55 50.35 1b46 s ASP 2 Cb 0.00 -1.75 -0.00 0.00 1.01 0.00 0.00 42.92 42.18 1b46 s ASP 2 CO 0.00 -0.36 1.04 -0.69 0.21 0.00 0.00 175.17 175.36 1b46 s VAL 3 N 0.28 4.70 0.66 -1.27 1.01 -1.26 -5.00 120.40 119.52 1b46 s VAL 3 Ca 0.14 2.00 -0.18 0.00 0.00 0.00 0.00 61.98 63.94 1b46 s VAL 3 Cb -0.22 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.87 1b46 s VAL 3 CO -0.03 -0.07 1.27 -2.84 0.00 0.00 0.00 175.10 173.42 1b46 s PRO 4 N 2.51 2.52 0.27 2.72 0.02 -1.26 -4.93 135.00 136.85 1b46 s PRO 4 Ca 0.47 1.97 -0.30 0.00 0.02 0.00 0.00 61.00 63.16 1b46 s PRO 4 Cb -0.18 -1.85 -0.13 0.00 0.02 0.00 0.00 34.50 32.37 1b46 s PRO 4 CO 0.14 -1.60 1.48 0.00 -0.33 0.00 0.00 177.00 176.69 1b46 n ALA 5 N -2.02 1.74 0.00 -1.55 0.00 -1.26 -2.45 120.51 114.96 1b46 n ALA 5 Ca 0.15 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1b46 n ALA 5 Cb 0.49 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1b46 n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b46 n GLY 6 N 2.05 2.73 3.76 0.00 0.00 -1.26 -5.02 105.19 107.44 1b46 n GLY 6 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1b46 n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b46 s VAL 7 N -2.04 3.48 -0.09 1.61 -7.23 -1.03 -4.99 120.40 110.11 1b46 s VAL 7 Ca 0.00 1.45 -0.19 0.00 -1.81 0.00 0.00 61.98 61.43 1b46 s VAL 7 Cb 0.00 -3.92 -0.04 0.00 0.56 0.00 0.00 36.38 32.97 1b46 s VAL 7 CO 0.00 0.33 0.51 -1.10 -0.31 0.00 0.00 175.10 174.53 1b46 s GLN 8 N -1.27 4.32 0.18 4.82 -0.21 -1.26 -4.99 119.66 121.25 1b46 s GLN 8 Ca 0.46 0.53 -0.16 0.00 0.02 0.00 0.00 55.36 56.21 1b46 s GLN 8 Cb -0.32 -3.41 -0.07 0.00 1.00 0.00 0.00 33.01 30.20 1b46 s GLN 8 CO 0.41 0.21 0.62 -0.51 -2.12 0.00 0.00 175.29 173.89 1b46 s LEU 9 N 0.44 4.32 0.72 2.90 1.43 -1.26 -0.96 118.68 126.27 1b46 s LEU 9 Ca 0.28 1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 54.43 1b46 s LEU 9 Cb -0.16 -3.43 0.03 0.00 0.03 0.00 0.00 46.19 42.66 1b46 s LEU 9 CO 0.12 0.06 1.20 0.00 0.23 0.00 0.00 176.35 177.96 1b46 s ALA 10 N -1.52 2.15 0.17 4.21 0.00 -0.04 -4.33 121.76 122.39 1b46 s ALA 10 Ca 0.41 0.88 -0.08 0.00 0.00 0.00 0.00 51.96 53.16 1b46 s ALA 10 Cb -0.15 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.53 1b46 s ALA 10 CO 0.20 -1.83 1.52 -0.44 0.00 0.00 0.00 175.76 175.21 1b46 h ASP 11 N -0.23 0.92 -3.82 0.00 5.19 -1.95 -3.42 116.42 113.11 1b46 h ASP 11 Ca -0.48 -0.40 -0.64 0.00 -0.62 0.00 0.00 57.03 54.89 1b46 h ASP 11 Cb 1.29 -0.26 -0.17 0.00 0.18 0.00 0.00 39.33 40.38 1b46 h ASP 11 CO 0.50 1.18 -0.52 -0.75 -3.12 0.00 0.00 179.24 176.53 1b46 s LYS 12 N -4.42 3.97 -0.99 3.56 2.20 -1.26 -5.02 119.74 117.78 1b46 s LYS 12 Ca -0.10 -0.31 -0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1b46 s LYS 12 Cb 0.12 -3.62 0.27 0.00 -1.51 0.00 0.00 37.83 33.09 1b46 s LYS 12 CO 0.87 -0.12 1.11 1.04 -0.36 0.00 0.00 175.35 177.89 1b46 n GLN 13 N 4.87 3.51 -4.27 4.03 1.13 -1.26 -4.92 117.38 120.48 1b46 n GLN 13 Ca -0.14 -4.53 -0.20 0.00 -1.94 0.00 0.00 57.00 50.19 1b46 n GLN 13 Cb 0.52 -2.47 -0.11 0.00 0.11 0.00 0.00 30.24 28.29 1b46 n GLN 13 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1b46 s THR 14 N -1.99 1.50 0.01 5.09 -4.23 -1.26 -0.75 115.64 114.02 1b46 s THR 14 Ca 0.31 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1b46 s THR 14 Cb -0.01 -1.61 -0.01 0.00 1.34 0.00 0.00 72.50 72.21 1b46 s THR 14 CO -0.02 -0.35 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.46 1b46 s LEU 15 N -2.44 2.12 -0.14 4.79 2.96 -0.63 -4.96 118.68 120.38 1b46 s LEU 15 Ca 0.10 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1b46 s LEU 15 Cb -0.06 -0.04 0.02 0.00 0.50 0.00 0.00 46.19 46.62 1b46 s LEU 15 CO 0.04 -0.12 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.12 1b46 s VAL 16 N -0.71 1.55 -0.04 1.68 1.01 -1.26 -0.67 120.40 121.96 1b46 s VAL 16 Ca -0.06 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1b46 s VAL 16 Cb -0.05 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1b46 s VAL 16 CO -0.00 0.45 -0.21 -0.13 0.00 0.00 0.00 175.10 175.21 1b46 s ARG 17 N 1.45 2.33 0.29 2.72 0.52 0.63 -0.83 118.95 126.06 1b46 s ARG 17 Ca 0.04 -0.84 -0.19 0.00 -0.52 0.00 0.00 55.73 54.22 1b46 s ARG 17 Cb -0.13 -2.19 -0.09 0.00 0.52 0.00 0.00 34.95 33.06 1b46 s ARG 17 CO -0.10 0.56 0.78 1.21 0.02 0.00 0.00 175.30 177.77 1b46 s ASN 18 N -0.59 6.98 -0.08 0.23 2.47 -0.42 -1.56 114.94 121.98 1b46 s ASN 18 Ca 0.09 1.45 0.11 0.00 0.42 0.00 0.00 52.86 54.93 1b46 s ASN 18 Cb -0.11 -2.43 0.17 0.00 -1.45 0.00 0.00 41.25 37.43 1b46 s ASN 18 CO 0.00 -0.10 1.06 -3.20 -3.72 0.00 0.00 177.10 171.14 1b46 n ASN 19 N 0.19 1.65 0.00 -4.21 5.15 0.48 -3.52 115.26 115.01 1b46 n ASN 19 Ca 0.01 -2.59 0.00 0.00 -0.60 0.00 0.00 54.58 51.40 1b46 n ASN 19 Cb 0.52 -0.30 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 1b46 n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1b46 n GLY 20 N -0.91 2.00 3.70 8.20 0.00 -1.25 -4.53 105.19 112.41 1b46 n GLY 20 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 1b46 n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b46 s SER 21 N -0.12 -0.04 0.18 1.61 1.04 -1.25 -3.38 113.70 111.74 1b46 s SER 21 Ca 0.00 -0.15 -0.30 0.00 0.48 0.00 0.00 55.95 55.98 1b46 s SER 21 Cb 0.00 0.16 -0.08 0.00 0.10 0.00 0.00 66.02 66.19 1b46 s SER 21 CO 0.00 -0.29 1.24 -0.70 0.98 0.00 0.00 173.24 174.47 1b46 s GLU 22 N -2.30 4.45 0.74 4.02 2.56 -1.26 -4.45 118.70 122.46 1b46 s GLU 22 Ca 0.18 1.94 -0.14 0.00 0.00 0.00 0.00 54.97 56.95 1b46 s GLU 22 Cb 0.04 -3.23 0.05 0.00 2.00 0.00 0.00 34.13 32.99 1b46 s GLU 22 CO -0.03 -0.16 1.18 0.14 -0.56 0.00 0.00 175.26 175.82 1b46 s VAL 23 N 0.08 2.48 0.21 3.70 -7.23 -1.26 -4.58 120.40 113.80 1b46 s VAL 23 Ca 0.55 0.22 -0.03 0.00 -1.81 0.00 0.00 61.98 60.90 1b46 s VAL 23 Cb -0.34 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 33.90 1b46 s VAL 23 CO 0.37 -0.14 1.60 1.56 -0.31 0.00 0.00 175.10 178.18 1b46 h GLN 24 N -0.48 0.69 -1.76 4.82 4.20 -1.95 -3.48 115.11 117.15 1b46 h GLN 24 Ca -0.47 -0.31 0.31 0.00 0.06 0.00 0.00 58.65 58.24 1b46 h GLN 24 Cb 1.28 -0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.95 1b46 h GLN 24 CO 0.49 0.91 0.82 0.45 -0.67 0.00 0.00 178.83 180.83 1b46 s SER 25 N -6.81 -0.04 0.00 1.46 0.15 -1.26 -5.01 113.70 102.19 1b46 s SER 25 Ca -0.09 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.44 1b46 s SER 25 Cb 0.13 0.20 0.07 0.00 -1.71 0.00 0.00 66.02 64.70 1b46 s SER 25 CO 0.83 -0.37 0.76 0.18 1.20 0.00 0.00 173.24 175.84 1b46 n LEU 26 N -0.63 1.69 -4.65 3.45 4.77 -1.26 -4.88 117.00 115.50 1b46 n LEU 26 Ca -0.05 -1.02 -0.43 0.00 -0.03 0.00 0.00 56.01 54.49 1b46 n LEU 26 Cb 0.61 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.67 1b46 n LEU 26 CO 0.14 0.34 0.84 -0.62 -1.33 0.00 0.00 177.39 176.76 1b46 s ASP 27 N -0.68 6.95 0.58 -1.43 -1.08 -1.26 -4.93 116.67 114.82 1b46 s ASP 27 Ca 0.10 1.14 0.29 0.00 -0.52 0.00 0.00 52.55 53.55 1b46 s ASP 27 Cb 0.07 -2.51 1.50 0.00 -1.46 0.00 0.00 42.92 40.53 1b46 s ASP 27 CO 0.10 -0.69 1.94 -0.65 0.52 0.00 0.00 175.17 176.39 1b46 h PRO 28 N 7.75 0.00 -0.01 4.34 0.11 -1.92 0.84 132.00 143.10 1b46 h PRO 28 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1b46 h PRO 28 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1b46 h PRO 28 CO 0.96 0.00 -0.17 0.72 -0.21 0.00 0.00 178.00 179.30 1b46 n HIS 29 N -3.81 0.00 0.35 0.65 8.25 -1.26 -4.03 115.22 115.36 1b46 n HIS 29 Ca 0.08 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.58 1b46 n HIS 29 Cb 0.61 -0.15 0.01 0.00 1.12 0.00 0.00 29.99 31.58 1b46 n HIS 29 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1b46 n LYS 30 N -0.79 1.40 -3.99 -0.41 4.76 0.28 -4.14 118.16 115.27 1b46 n LYS 30 Ca 0.14 -0.72 -0.21 0.00 -2.87 0.00 0.00 58.31 54.65 1b46 n LYS 30 Cb 0.31 -1.07 -0.03 0.00 -1.84 0.00 0.00 35.03 32.40 1b46 n LYS 30 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1b46 s ILE 31 N -0.98 4.93 0.00 -0.18 -4.36 -1.17 -4.79 121.20 114.65 1b46 s ILE 31 Ca 0.08 -1.12 0.00 0.00 -0.26 0.00 0.00 60.65 59.35 1b46 s ILE 31 Cb 0.07 -3.69 0.00 0.00 1.25 0.00 0.00 42.46 40.08 1b46 s ILE 31 CO 0.16 -0.32 0.00 -1.84 0.24 0.00 0.00 174.94 173.18 1b46 n GLU 32 N -1.35 0.65 -1.86 0.37 0.28 -1.26 -4.58 120.64 112.88 1b46 n GLU 32 Ca -0.08 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.63 1b46 n GLU 32 Cb 0.57 -0.47 0.14 0.00 1.43 0.00 0.00 31.44 33.11 1b46 n GLU 32 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1b46 s GLY 33 N -0.88 1.67 0.10 -1.84 0.00 -1.26 -4.88 107.32 100.23 1b46 s GLY 33 Ca 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 44.72 43.66 1b46 s GLY 33 CO 0.00 -0.26 1.62 -2.08 0.00 0.00 0.00 173.10 172.38 1b46 h VAL 34 N -1.38 1.20 -0.53 1.40 2.07 -1.98 -0.65 116.25 116.38 1b46 h VAL 34 Ca -0.46 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.44 1b46 h VAL 34 Cb 1.29 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1b46 h VAL 34 CO 0.53 0.21 0.34 -0.65 0.02 0.00 0.00 177.57 178.02 1b46 h PRO 35 N 0.28 0.67 -0.41 1.57 0.11 -1.95 0.18 132.00 132.46 1b46 h PRO 35 Ca 0.09 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1b46 h PRO 35 Cb 0.24 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 1b46 h PRO 35 CO -0.00 0.44 0.27 0.93 -0.21 0.00 0.00 178.00 179.43 1b46 h GLU 36 N 0.69 0.54 -0.13 1.05 3.07 -1.84 -2.84 114.58 115.12 1b46 h GLU 36 Ca 0.20 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.93 1b46 h GLU 36 Cb -0.05 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 1b46 h GLU 36 CO -0.06 0.36 -0.33 0.77 -1.40 0.00 0.00 179.01 178.35 1b46 h SER 37 N 0.55 0.27 -0.67 1.42 0.02 -0.59 -0.56 113.55 113.98 1b46 h SER 37 Ca 0.15 -0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1b46 h SER 37 Cb -0.06 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.36 1b46 h SER 37 CO -0.03 0.59 0.39 0.78 -1.14 0.00 0.00 176.83 177.42 1b46 h ASN 38 N 0.23 0.61 0.08 3.07 2.35 -0.73 -1.32 115.58 119.87 1b46 h ASN 38 Ca 0.03 0.02 -0.28 0.00 -0.55 0.00 0.00 56.30 55.52 1b46 h ASN 38 Cb 0.70 -0.11 0.02 0.00 0.05 0.00 0.00 38.32 38.99 1b46 h ASN 38 CO 0.05 0.40 -1.14 0.58 -1.65 0.00 0.00 177.43 175.68 1b46 h VAL 39 N 0.74 1.29 -0.89 2.81 2.07 -1.43 -3.31 116.25 117.52 1b46 h VAL 39 Ca 0.29 -2.36 0.05 0.00 0.82 0.00 0.00 66.70 65.50 1b46 h VAL 39 Cb 0.13 2.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.38 1b46 h VAL 39 CO -0.15 0.72 0.58 -1.28 0.02 0.00 0.00 177.57 177.46 1b46 h SER 40 N 0.33 0.93 0.34 0.57 0.87 -0.76 -1.77 113.55 114.06 1b46 h SER 40 Ca -0.16 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 1b46 h SER 40 Cb 1.80 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 63.55 1b46 h SER 40 CO 0.22 0.62 -0.15 0.03 -0.53 0.00 0.00 176.83 177.02 1b46 h ARG 41 N 1.06 0.00 0.00 2.24 3.08 -1.33 -0.49 114.38 118.94 1b46 h ARG 41 Ca 0.37 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.26 1b46 h ARG 41 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1b46 h ARG 41 CO -0.13 0.15 -0.75 -0.44 -1.07 0.00 0.00 179.97 177.73 1b46 h ASP 42 N 0.00 0.00 0.08 7.04 3.32 -1.46 -3.39 116.42 122.01 1b46 h ASP 42 Ca -0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 1b46 h ASP 42 Cb 0.36 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 1b46 h ASP 42 CO 0.02 0.75 -2.27 0.18 -1.72 0.00 0.00 179.24 176.20 1b46 n LEU 43 N -3.37 2.13 -4.14 1.55 4.77 -0.75 -1.28 117.00 115.91 1b46 n LEU 43 Ca 0.00 0.03 -0.29 0.00 -0.03 0.00 0.00 56.01 55.73 1b46 n LEU 43 Cb 0.81 -0.59 -0.17 0.00 -2.33 0.00 0.00 43.42 41.14 1b46 n LEU 43 CO 0.44 0.78 -0.52 -0.36 -1.33 0.00 0.00 177.39 176.40 1b46 s PHE 44 N -2.53 2.04 -0.14 -1.77 0.08 -0.27 -0.16 117.98 115.23 1b46 s PHE 44 Ca -0.24 -0.79 0.01 0.00 0.12 0.00 0.00 56.93 56.03 1b46 s PHE 44 Cb 0.08 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 1b46 s PHE 44 CO 0.71 -0.34 -0.17 -2.00 -0.10 0.00 0.00 175.22 173.32 1b46 s GLU 45 N 0.43 3.17 0.00 0.44 2.12 -1.26 -4.55 118.70 119.05 1b46 s GLU 45 Ca -0.16 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.39 1b46 s GLU 45 Cb -0.16 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.67 1b46 s GLU 45 CO 0.06 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 1b46 n GLY 46 N 3.97 -0.38 0.15 -1.50 0.00 -1.26 -4.34 105.19 101.82 1b46 n GLY 46 Ca -0.19 -1.73 -0.08 0.00 0.00 0.00 0.00 46.02 44.01 1b46 n GLY 46 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b46 h LEU 47 N 0.00 0.32 -9.36 0.99 3.38 -1.81 0.43 115.31 109.26 1b46 h LEU 47 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1b46 h LEU 47 Cb 0.00 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 40.55 1b46 h LEU 47 CO 0.00 0.23 -0.67 -0.76 0.09 0.00 0.00 178.44 177.33 1b46 s LEU 48 N -10.20 2.66 0.12 1.67 1.02 -1.26 -1.07 118.68 111.62 1b46 s LEU 48 Ca -0.13 -1.21 -0.01 0.00 0.02 0.00 0.00 54.13 52.80 1b46 s LEU 48 Cb 0.10 -0.87 -0.04 0.00 0.02 0.00 0.00 46.19 45.40 1b46 s LEU 48 CO 0.71 -0.27 0.02 0.27 0.02 0.00 0.00 176.35 177.10 1b46 s ILE 49 N -2.75 0.22 0.29 -0.59 -4.36 0.34 -4.11 121.20 110.25 1b46 s ILE 49 Ca 0.32 -1.90 -0.21 0.00 -0.26 0.00 0.00 60.65 58.61 1b46 s ILE 49 Cb 0.04 -1.92 -0.09 0.00 1.25 0.00 0.00 42.46 41.73 1b46 s ILE 49 CO 0.15 -0.61 0.81 -0.44 0.24 0.00 0.00 174.94 175.10 1b46 s SER 50 N -3.03 7.06 0.93 4.36 0.01 -1.26 0.06 113.70 121.83 1b46 s SER 50 Ca 0.20 1.53 -0.01 0.00 1.31 0.00 0.00 55.95 58.98 1b46 s SER 50 Cb 0.07 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.85 1b46 s SER 50 CO -0.01 -0.08 0.05 -0.90 0.41 0.00 0.00 173.24 172.70 1b46 n ASP 51 N 0.32 0.01 0.18 2.44 5.68 -0.04 -4.82 116.55 120.31 1b46 n ASP 51 Ca 0.01 -1.02 0.13 0.00 -0.50 0.00 0.00 54.79 53.41 1b46 n ASP 51 Cb 0.52 -0.04 0.60 0.00 -1.14 0.00 0.00 41.12 41.06 1b46 n ASP 51 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1b46 h VAL 52 N -0.95 0.00 -0.17 2.12 -1.51 -1.94 -0.95 116.25 112.85 1b46 h VAL 52 Ca -0.02 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 1b46 h VAL 52 Cb 0.04 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1b46 h VAL 52 CO 0.01 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 175.73 1b46 n GLU 53 N -2.44 1.94 -0.25 5.19 1.02 -1.26 -4.46 120.64 120.37 1b46 n GLU 53 Ca 0.01 -1.84 0.00 0.00 -0.02 0.00 0.00 57.16 55.30 1b46 n GLU 53 Cb 0.18 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1b46 n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b46 n GLY 54 N 1.12 0.65 3.73 0.62 0.00 -0.36 -3.53 105.19 107.42 1b46 n GLY 54 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1b46 n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b46 s HIS 55 N -2.52 3.39 0.17 1.61 3.76 -1.26 -4.64 115.29 115.80 1b46 s HIS 55 Ca 0.00 1.34 -0.33 0.00 -0.15 0.00 0.00 55.06 55.92 1b46 s HIS 55 Cb 0.00 -3.47 -0.13 0.00 1.11 0.00 0.00 32.58 30.09 1b46 s HIS 55 CO 0.00 -1.40 1.66 -2.30 -0.85 0.00 0.00 174.74 171.85 1b46 n PRO 56 N 2.88 2.45 -4.09 8.40 -0.02 -1.26 -0.86 135.00 142.49 1b46 n PRO 56 Ca 0.06 0.88 -0.10 0.00 -2.02 0.00 0.00 63.50 62.32 1b46 n PRO 56 Cb 0.44 -2.69 -0.08 0.00 -0.02 0.00 0.00 33.50 31.15 1b46 n PRO 56 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1b46 s SER 57 N 1.20 0.05 0.21 2.55 0.01 0.11 -4.86 113.70 112.97 1b46 s SER 57 Ca 0.78 -1.14 -0.32 0.00 1.31 0.00 0.00 55.95 56.57 1b46 s SER 57 Cb -0.60 0.46 -0.13 0.00 0.21 0.00 0.00 66.02 65.96 1b46 s SER 57 CO 0.36 -0.95 1.58 -2.65 0.41 0.00 0.00 173.24 171.99 1b46 n PRO 58 N -0.29 2.35 0.00 12.44 -0.02 -1.26 -0.51 135.00 147.70 1b46 n PRO 58 Ca -0.01 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1b46 n PRO 58 Cb 0.64 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1b46 n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b46 n GLY 59 N 3.12 1.35 0.21 -1.23 0.00 -0.25 -4.35 105.19 104.05 1b46 n GLY 59 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 1b46 n GLY 59 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1b46 h VAL 60 N 0.00 1.32 -3.20 1.61 2.07 -0.48 -3.41 116.25 114.16 1b46 h VAL 60 Ca 0.00 -1.65 -0.57 0.00 0.82 0.00 0.00 66.70 65.31 1b46 h VAL 60 Cb 0.00 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1b46 h VAL 60 CO 0.00 0.51 0.64 0.00 0.02 0.00 0.00 177.57 178.74 1b46 s ALA 61 N -4.12 3.52 -0.04 1.67 0.00 -0.23 -1.45 121.76 121.10 1b46 s ALA 61 Ca -0.06 0.27 0.13 0.00 0.00 0.00 0.00 51.96 52.29 1b46 s ALA 61 Cb 0.12 -3.46 -0.16 0.00 0.00 0.00 0.00 23.12 19.63 1b46 s ALA 61 CO 0.81 -0.78 0.98 1.05 0.00 0.00 0.00 175.76 177.83 1b46 h GLU 62 N 7.25 0.00 -3.29 0.00 4.11 -1.31 -3.40 114.58 117.94 1b46 h GLU 62 Ca -0.26 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.09 1b46 h GLU 62 Cb 1.11 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.21 1b46 h GLU 62 CO 0.90 0.57 -0.16 -1.59 0.07 0.00 0.00 179.01 178.80 1b46 s LYS 63 N -2.77 0.93 0.06 1.06 0.00 -1.21 -4.89 119.74 112.92 1b46 s LYS 63 Ca -0.01 -0.57 -0.19 0.00 0.00 0.00 0.00 55.97 55.20 1b46 s LYS 63 Cb 0.09 0.41 0.04 0.00 0.00 0.00 0.00 37.83 38.36 1b46 s LYS 63 CO 0.81 -0.33 0.43 1.67 0.00 0.00 0.00 175.35 177.93 1b46 s TRP 64 N -3.05 -0.29 0.25 1.78 -2.14 -1.26 -0.59 118.94 113.65 1b46 s TRP 64 Ca -0.02 0.23 0.02 0.00 2.66 0.00 0.00 56.10 58.99 1b46 s TRP 64 Cb 0.01 0.25 -0.05 0.00 -3.10 0.00 0.00 33.47 30.57 1b46 s TRP 64 CO -0.06 -0.60 0.07 -1.21 -2.66 0.00 0.00 176.95 172.49 1b46 s GLU 65 N -2.64 1.39 0.05 3.25 8.01 -0.25 -4.97 118.70 123.54 1b46 s GLU 65 Ca -0.04 -1.74 0.01 0.00 0.01 0.00 0.00 54.97 53.21 1b46 s GLU 65 Cb -0.00 -0.35 -0.03 0.00 -4.31 0.00 0.00 34.13 29.43 1b46 s GLU 65 CO -0.03 -0.25 -0.05 0.54 0.01 0.00 0.00 175.26 175.47 1b46 s ASN 66 N -3.31 0.71 -0.25 -0.19 2.20 -1.26 -1.00 114.94 111.83 1b46 s ASN 66 Ca 0.35 -0.72 0.03 0.00 -0.94 0.00 0.00 52.86 51.57 1b46 s ASN 66 Cb 0.07 0.09 0.06 0.00 -2.00 0.00 0.00 41.25 39.48 1b46 s ASN 66 CO 0.12 -0.36 -0.11 -0.75 -2.94 0.00 0.00 177.10 173.06 1b46 s LYS 67 N -2.49 2.24 -1.85 3.55 2.20 0.50 -4.65 119.74 119.23 1b46 s LYS 67 Ca -0.03 -1.29 0.00 0.00 -0.36 0.00 0.00 55.97 54.28 1b46 s LYS 67 Cb -0.03 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1b46 s LYS 67 CO -0.03 -0.55 0.00 -0.25 -0.36 0.00 0.00 175.35 174.16 1b46 n ASP 68 N 4.46 -5.52 -1.35 1.43 8.00 -1.26 -1.27 116.55 121.03 1b46 n ASP 68 Ca -0.14 0.19 -0.17 0.00 0.71 0.00 0.00 54.79 55.37 1b46 n ASP 68 Cb 0.43 -4.71 -0.07 0.00 -0.02 0.00 0.00 41.12 36.75 1b46 n ASP 68 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1b46 n PHE 69 N -3.34 -0.04 -0.01 1.24 3.72 -1.26 -4.62 117.46 113.15 1b46 n PHE 69 Ca -0.22 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.17 1b46 n PHE 69 Cb 0.67 -3.17 -0.01 0.00 -0.94 0.00 0.00 39.48 36.03 1b46 n PHE 69 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1b46 n LYS 70 N -1.84 3.36 -4.07 -1.08 5.02 -0.40 -1.71 118.16 117.44 1b46 n LYS 70 Ca -0.17 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.80 1b46 n LYS 70 Cb 0.63 -1.03 -0.16 0.00 -0.02 0.00 0.00 35.03 34.45 1b46 n LYS 70 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1b46 s VAL 71 N -2.03 2.00 -0.18 -0.18 1.01 -0.90 0.11 120.40 120.23 1b46 s VAL 71 Ca -0.01 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 1b46 s VAL 71 Cb 0.00 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1b46 s VAL 71 CO 0.05 0.25 -0.04 0.26 0.00 0.00 0.00 175.10 175.61 1b46 s TRP 72 N 1.25 2.98 -0.21 5.22 0.52 -0.16 -0.37 118.94 128.16 1b46 s TRP 72 Ca -0.02 -0.56 -0.01 0.00 0.02 0.00 0.00 56.10 55.54 1b46 s TRP 72 Cb -0.16 -2.01 0.02 0.00 -1.15 0.00 0.00 33.47 30.16 1b46 s TRP 72 CO -0.09 -0.25 -0.12 0.99 0.02 0.00 0.00 176.95 177.50 1b46 s THR 73 N 0.82 2.63 -0.20 2.01 2.01 -0.17 -0.94 115.64 121.81 1b46 s THR 73 Ca -0.01 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.04 1b46 s THR 73 Cb -0.15 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1b46 s THR 73 CO 0.02 0.40 0.07 -0.36 -0.69 0.00 0.00 174.62 174.05 1b46 s PHE 74 N 1.34 3.20 -0.49 4.92 0.08 0.28 -1.09 117.98 126.22 1b46 s PHE 74 Ca 0.03 -0.05 -0.18 0.00 0.12 0.00 0.00 56.93 56.85 1b46 s PHE 74 Cb -0.15 -2.13 0.06 0.00 -0.57 0.00 0.00 43.02 40.24 1b46 s PHE 74 CO -0.08 0.01 0.54 -1.01 -0.10 0.00 0.00 175.22 174.58 1b46 s HIS 75 N 0.74 3.12 0.19 0.36 3.76 0.25 -1.39 115.29 122.33 1b46 s HIS 75 Ca 0.03 -0.67 -0.30 0.00 -0.15 0.00 0.00 55.06 53.98 1b46 s HIS 75 Cb -0.13 -3.39 -0.08 0.00 1.11 0.00 0.00 32.58 30.09 1b46 s HIS 75 CO 0.02 -0.94 0.93 -0.51 -0.85 0.00 0.00 174.74 173.39 1b46 s LEU 76 N 2.26 4.60 0.30 0.89 1.43 0.45 -1.03 118.68 127.58 1b46 s LEU 76 Ca 0.11 1.87 -0.30 0.00 -1.03 0.00 0.00 54.13 54.78 1b46 s LEU 76 Cb -0.21 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.33 1b46 s LEU 76 CO 0.10 0.10 1.53 0.00 0.23 0.00 0.00 176.35 178.31 1b46 s ARG 77 N -0.81 4.16 0.51 1.70 1.70 -0.53 -4.82 118.95 120.84 1b46 s ARG 77 Ca 0.42 2.51 0.19 0.00 -0.47 0.00 0.00 55.73 58.38 1b46 s ARG 77 Cb -0.25 -3.03 1.29 0.00 -0.57 0.00 0.00 34.95 32.39 1b46 s ARG 77 CO 0.31 -0.56 2.10 0.93 -1.08 0.00 0.00 175.30 177.00 1b46 h GLU 78 N 4.53 0.00 -0.65 3.89 4.39 -1.94 -2.61 114.58 122.19 1b46 h GLU 78 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1b46 h GLU 78 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1b46 h GLU 78 CO 0.76 0.09 0.00 0.27 -1.16 0.00 0.00 179.01 178.97 1b46 n ASN 79 N -4.22 4.26 -4.70 1.42 6.94 -1.26 -4.92 115.26 112.78 1b46 n ASN 79 Ca -0.03 -2.53 -0.42 0.00 -0.02 0.00 0.00 54.58 51.58 1b46 n ASN 79 Cb 0.17 -0.58 -0.03 0.00 -2.36 0.00 0.00 39.78 36.98 1b46 n ASN 79 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1b46 s ALA 80 N -2.06 3.48 0.05 -2.53 0.00 -0.99 -4.41 121.76 115.30 1b46 s ALA 80 Ca 0.41 0.87 -0.00 0.00 0.00 0.00 0.00 51.96 53.24 1b46 s ALA 80 Cb 0.29 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1b46 s ALA 80 CO 0.16 -0.62 -0.04 0.15 0.00 0.00 0.00 175.76 175.42 1b46 s LYS 81 N 1.53 0.59 0.65 0.00 1.02 -1.26 -0.90 119.74 121.37 1b46 s LYS 81 Ca 0.60 -1.13 -0.09 0.00 0.02 0.00 0.00 55.97 55.38 1b46 s LYS 81 Cb -0.30 0.14 0.01 0.00 -0.52 0.00 0.00 37.83 37.15 1b46 s LYS 81 CO 0.28 -0.09 1.01 -1.58 -0.92 0.00 0.00 175.35 174.05 1b46 s TRP 82 N -3.45 3.32 -0.84 3.18 0.52 1.00 -4.59 118.94 118.07 1b46 s TRP 82 Ca 0.04 0.90 0.12 0.00 0.02 0.00 0.00 56.10 57.17 1b46 s TRP 82 Cb 0.04 -2.91 0.53 0.00 -1.15 0.00 0.00 33.47 29.98 1b46 s TRP 82 CO -0.08 -1.00 1.37 -1.13 0.02 0.00 0.00 176.95 176.13 1b46 n SER 83 N -2.82 0.16 -0.74 2.95 3.41 0.18 -1.08 113.62 115.68 1b46 n SER 83 Ca 0.06 0.55 0.10 0.00 -0.26 0.00 0.00 58.87 59.32 1b46 n SER 83 Cb 0.57 -0.58 0.30 0.00 -0.26 0.00 0.00 64.21 64.24 1b46 n SER 83 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1b46 n ASP 84 N -1.69 2.20 0.00 4.04 5.68 -1.26 -4.82 116.55 120.70 1b46 n ASP 84 Ca 0.02 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 1b46 n ASP 84 Cb 0.11 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 1b46 n ASP 84 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b46 n GLY 85 N 1.23 1.67 3.82 6.12 0.00 -0.24 -5.05 105.19 112.74 1b46 n GLY 85 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1b46 n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b46 s THR 86 N -2.54 4.41 0.48 2.61 -4.23 -1.26 -4.76 115.64 110.35 1b46 s THR 86 Ca 0.00 1.46 -0.22 0.00 -1.18 0.00 0.00 61.69 61.75 1b46 s THR 86 Cb 0.00 -3.60 -0.07 0.00 1.34 0.00 0.00 72.50 70.17 1b46 s THR 86 CO 0.00 -0.32 1.18 -2.84 -0.54 0.00 0.00 174.62 172.10 1b46 s PRO 87 N -3.18 3.62 -0.16 3.99 0.02 -1.26 -0.00 135.00 138.03 1b46 s PRO 87 Ca 0.62 1.78 -0.21 0.00 0.02 0.00 0.00 61.00 63.20 1b46 s PRO 87 Cb -0.09 -2.31 -0.03 0.00 0.02 0.00 0.00 34.50 32.09 1b46 s PRO 87 CO 0.13 -0.67 0.65 0.08 -0.33 0.00 0.00 177.00 176.86 1b46 s VAL 88 N -1.57 5.03 0.39 3.83 1.01 -0.08 -4.66 120.40 124.36 1b46 s VAL 88 Ca 0.66 1.26 0.05 0.00 0.00 0.00 0.00 61.98 63.95 1b46 s VAL 88 Cb -0.29 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1b46 s VAL 88 CO 0.34 0.16 0.04 0.42 0.00 0.00 0.00 175.10 176.06 1b46 s THR 89 N 1.53 1.48 0.47 3.92 -4.23 -1.26 -4.78 115.64 112.77 1b46 s THR 89 Ca 0.31 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.04 1b46 s THR 89 Cb -0.16 -2.76 0.26 0.00 1.34 0.00 0.00 72.50 71.18 1b46 s THR 89 CO 0.12 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.28 1b46 h ALA 90 N 1.83 1.56 -0.40 3.99 0.00 -1.13 -1.61 119.26 123.51 1b46 h ALA 90 Ca -0.42 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1b46 h ALA 90 Cb 1.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1b46 h ALA 90 CO 0.74 0.14 0.07 0.45 0.00 0.00 0.00 179.25 180.65 1b46 h HIS 91 N 0.00 0.61 -0.84 0.00 3.86 -1.84 -0.37 115.15 116.57 1b46 h HIS 91 Ca -0.00 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 1b46 h HIS 91 Cb 0.24 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 1b46 h HIS 91 CO 0.00 0.55 0.44 -0.44 0.86 0.00 0.00 177.93 179.33 1b46 h ASP 92 N 0.58 1.07 -0.08 2.45 3.32 -1.67 -1.82 116.42 120.27 1b46 h ASP 92 Ca 0.13 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 1b46 h ASP 92 Cb 0.27 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1b46 h ASP 92 CO 0.00 0.88 -0.43 -0.26 -1.72 0.00 0.00 179.24 177.71 1b46 h PHE 93 N 1.18 0.74 -0.15 4.55 -1.00 -1.38 -0.39 116.94 120.48 1b46 h PHE 93 Ca 0.29 -0.22 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 1b46 h PHE 93 Cb 0.07 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 1b46 h PHE 93 CO 0.01 0.94 0.07 0.28 -1.61 0.00 0.00 178.31 178.00 1b46 h VAL 94 N 0.50 1.13 -0.29 -0.55 2.07 -0.58 -1.22 116.25 117.31 1b46 h VAL 94 Ca 0.04 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1b46 h VAL 94 Cb 0.95 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1b46 h VAL 94 CO 0.09 0.13 0.18 0.22 0.02 0.00 0.00 177.57 178.20 1b46 h TYR 95 N 0.11 0.38 -0.26 1.57 3.20 -1.32 -1.79 116.97 118.87 1b46 h TYR 95 Ca 0.05 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1b46 h TYR 95 Cb 0.14 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1b46 h TYR 95 CO -0.02 0.27 0.08 0.77 -1.64 0.00 0.00 178.16 177.62 1b46 h SER 96 N 0.38 0.37 -0.10 -2.11 0.02 -0.94 0.13 113.55 111.30 1b46 h SER 96 Ca 0.10 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 1b46 h SER 96 Cb -0.00 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1b46 h SER 96 CO -0.02 0.47 -0.19 -0.50 -1.14 0.00 0.00 176.83 175.44 1b46 h TRP 97 N 0.25 0.55 -0.53 3.45 4.06 -1.21 -0.57 115.95 121.96 1b46 h TRP 97 Ca 0.08 -0.10 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 1b46 h TRP 97 Cb 0.23 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 1b46 h TRP 97 CO 0.00 0.67 0.27 1.96 -3.56 0.00 0.00 178.44 177.78 1b46 h GLN 98 N 0.45 0.75 -0.57 0.49 4.20 -0.97 -1.62 115.11 117.84 1b46 h GLN 98 Ca 0.07 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1b46 h GLN 98 Cb 0.60 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1b46 h GLN 98 CO 0.04 0.60 0.16 -0.09 -0.67 0.00 0.00 178.83 178.87 1b46 h ARG 99 N 0.71 0.87 -0.61 1.46 2.43 -0.19 -1.06 114.38 117.99 1b46 h ARG 99 Ca 0.18 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1b46 h ARG 99 Cb 0.08 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1b46 h ARG 99 CO -0.03 0.77 0.31 1.25 -1.51 0.00 0.00 179.97 180.77 1b46 h LEU 100 N 0.84 0.78 -0.89 3.80 5.85 -0.85 -2.87 115.31 121.97 1b46 h LEU 100 Ca 0.19 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1b46 h LEU 100 Cb 0.28 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1b46 h LEU 100 CO -0.00 0.67 -0.51 0.00 -0.34 0.00 0.00 178.44 178.25 1b46 h ALA 101 N 1.14 1.04 -2.37 1.25 0.00 -0.83 -3.41 119.26 116.09 1b46 h ALA 101 Ca 0.21 -0.47 -0.53 0.00 0.00 0.00 0.00 54.91 54.12 1b46 h ALA 101 Cb 0.08 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1b46 h ALA 101 CO -0.03 0.64 1.13 0.34 0.00 0.00 0.00 179.25 181.33 1b46 s ASP 102 N -6.74 6.53 0.51 0.00 -1.08 -0.44 -4.34 116.67 111.11 1b46 s ASP 102 Ca -0.01 2.54 0.23 0.00 -0.52 0.00 0.00 52.55 54.79 1b46 s ASP 102 Cb 0.12 -2.54 1.33 0.00 -1.46 0.00 0.00 42.92 40.37 1b46 s ASP 102 CO 0.73 -0.98 1.99 1.55 0.52 0.00 0.00 175.17 178.98 1b46 h PRO 103 N 9.59 0.07 0.00 4.34 0.13 -1.85 -0.39 132.00 143.89 1b46 h PRO 103 Ca -0.45 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1b46 h PRO 103 Cb 1.21 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1b46 h PRO 103 CO 0.94 0.05 -0.12 -0.91 -0.23 0.00 0.00 178.00 177.74 1b46 h ASN 104 N 0.08 0.00 0.88 1.44 2.35 -1.93 -0.36 115.58 118.04 1b46 h ASN 104 Ca 0.27 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.93 1b46 h ASN 104 Cb 0.96 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 1b46 h ASN 104 CO -0.02 0.12 -0.43 0.74 -1.65 0.00 0.00 177.43 176.18 1b46 h THR 105 N 0.00 0.97 -6.21 2.81 2.02 -1.31 -3.47 112.91 107.71 1b46 h THR 105 Ca -0.00 -1.70 -0.46 0.00 0.77 0.00 0.00 66.41 65.02 1b46 h THR 105 Cb 0.33 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1b46 h THR 105 CO 0.02 0.42 -0.76 0.00 0.37 0.00 0.00 175.52 175.57 1b46 n ALA 106 N -2.30 -1.38 -1.77 6.16 0.00 -0.15 -4.92 120.51 116.16 1b46 n ALA 106 Ca -0.00 0.18 -0.39 0.00 0.00 0.00 0.00 53.44 53.23 1b46 n ALA 106 Cb 0.55 -4.34 -0.02 0.00 0.00 0.00 0.00 19.45 15.64 1b46 n ALA 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1b46 s SER 107 N -3.44 6.64 0.33 0.00 0.15 -1.26 -4.89 113.70 111.24 1b46 s SER 107 Ca 0.58 2.46 0.26 0.00 0.70 0.00 0.00 55.95 59.94 1b46 s SER 107 Cb -0.28 -2.63 1.12 0.00 -1.71 0.00 0.00 66.02 62.52 1b46 s SER 107 CO 0.81 -0.61 1.78 1.55 1.20 0.00 0.00 173.24 177.98 1b46 h PRO 108 N 2.95 0.00 -0.42 5.44 0.13 -1.85 -2.24 132.00 136.01 1b46 h PRO 108 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 1b46 h PRO 108 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 1b46 h PRO 108 CO 0.64 0.00 0.06 0.66 -0.23 0.00 0.00 178.00 179.12 1b46 n TYR 109 N -2.43 1.45 -0.35 1.56 4.01 -1.26 -3.89 117.16 116.24 1b46 n TYR 109 Ca 0.01 -1.07 0.06 0.00 -0.16 0.00 0.00 57.90 56.75 1b46 n TYR 109 Cb 0.22 -0.46 0.22 0.00 -0.31 0.00 0.00 39.34 39.01 1b46 n TYR 109 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b46 h ALA 110 N 2.09 1.44 0.00 -0.72 0.00 -1.63 -0.35 119.26 120.09 1b46 h ALA 110 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1b46 h ALA 110 Cb 1.76 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1b46 h ALA 110 CO 0.41 0.24 0.00 0.43 0.00 0.00 0.00 179.25 180.32 1b46 n SER 111 N -4.62 0.00 0.20 0.00 7.64 -1.26 -2.50 113.62 113.07 1b46 n SER 111 Ca 0.18 0.20 0.06 0.00 1.01 0.00 0.00 58.87 60.32 1b46 n SER 111 Cb 0.32 -0.30 0.56 0.00 -1.01 0.00 0.00 64.21 63.78 1b46 n SER 111 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1b46 h TYR 112 N 0.00 0.11 0.00 1.43 3.20 -1.41 0.11 116.97 120.42 1b46 h TYR 112 Ca 0.00 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1b46 h TYR 112 Cb 0.07 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1b46 h TYR 112 CO 0.00 0.12 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.19 1b46 h LEU 113 N 0.12 0.00 -0.07 2.82 3.38 -1.68 -1.83 115.31 118.04 1b46 h LEU 113 Ca 0.03 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.75 1b46 h LEU 113 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1b46 h LEU 113 CO 0.00 0.38 -1.04 1.56 0.09 0.00 0.00 178.44 179.43 1b46 h GLN 114 N 0.00 0.45 -0.62 1.13 4.20 -1.04 -1.45 115.11 117.78 1b46 h GLN 114 Ca -0.00 -0.53 -0.01 0.00 0.06 0.00 0.00 58.65 58.17 1b46 h GLN 114 Cb 1.10 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 29.01 1b46 h GLN 114 CO 0.05 1.18 0.36 1.88 -0.67 0.00 0.00 178.83 181.63 1b46 h TYR 115 N 0.23 0.81 -0.00 2.96 0.05 -0.72 -0.02 116.97 120.28 1b46 h TYR 115 Ca -0.11 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1b46 h TYR 115 Cb 1.69 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 39.17 1b46 h TYR 115 CO 0.07 0.55 -0.30 0.41 -1.05 0.00 0.00 178.16 177.84 1b46 n GLY 116 N -1.30 -1.12 3.38 3.88 0.00 -0.72 -4.97 105.19 104.33 1b46 n GLY 116 Ca 0.06 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1b46 n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1b46 n HIS 117 N -1.24 -2.55 -1.76 1.61 8.25 -0.02 -4.86 115.22 114.64 1b46 n HIS 117 Ca 0.09 0.85 -0.41 0.00 -0.26 0.00 0.00 57.72 57.98 1b46 n HIS 117 Cb 0.33 -4.80 -0.01 0.00 1.12 0.00 0.00 29.99 26.62 1b46 n HIS 117 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1b46 s ILE 118 N -3.27 2.01 0.31 1.59 1.09 -0.85 -0.62 121.20 121.47 1b46 s ILE 118 Ca 0.49 0.01 -0.28 0.00 -1.10 0.00 0.00 60.65 59.77 1b46 s ILE 118 Cb -0.22 -3.01 -0.13 0.00 -1.06 0.00 0.00 42.46 38.04 1b46 s ILE 118 CO 0.61 0.00 1.10 0.00 -0.10 0.00 0.00 174.94 176.55 1b46 n ALA 119 N 1.87 0.31 -0.95 9.38 0.00 0.05 -2.72 120.51 128.45 1b46 n ALA 119 Ca 0.07 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1b46 n ALA 119 Cb 0.37 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1b46 n ALA 119 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1b46 n ASN 120 N 1.04 -4.07 -0.29 0.00 3.02 -1.26 -1.43 115.26 112.27 1b46 n ASN 120 Ca 0.08 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.57 1b46 n ASN 120 Cb 0.34 -2.24 0.06 0.00 -0.61 0.00 0.00 39.78 37.33 1b46 n ASN 120 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1b46 h ILE 121 N 0.00 1.26 -0.29 2.41 6.09 -1.88 -2.51 117.51 122.59 1b46 h ILE 121 Ca 0.00 -0.79 0.03 0.00 -1.37 0.00 0.00 64.86 62.73 1b46 h ILE 121 Cb 0.52 0.30 -0.03 0.00 0.47 0.00 0.00 36.82 38.08 1b46 h ILE 121 CO 0.00 0.32 0.11 0.44 -3.07 0.00 0.00 178.15 175.96 1b46 h ASP 122 N 1.14 0.14 -0.23 2.19 3.32 -1.91 -0.17 116.42 120.90 1b46 h ASP 122 Ca 0.27 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 1b46 h ASP 122 Cb 0.19 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1b46 h ASP 122 CO -0.03 0.12 -0.02 0.44 -1.72 0.00 0.00 179.24 178.03 1b46 h ASP 123 N 0.25 0.51 -0.20 6.45 3.32 -1.91 -1.40 116.42 123.44 1b46 h ASP 123 Ca 0.13 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1b46 h ASP 123 Cb 0.08 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1b46 h ASP 123 CO -0.12 0.60 -0.14 0.40 -1.72 0.00 0.00 179.24 178.25 1b46 h ILE 124 N 0.52 1.32 -0.85 0.35 2.04 -0.99 0.24 117.51 120.13 1b46 h ILE 124 Ca 0.11 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 64.75 1b46 h ILE 124 Cb 0.37 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 1b46 h ILE 124 CO 0.01 0.38 0.54 0.40 0.00 0.00 0.00 178.15 179.49 1b46 h ILE 125 N 0.13 1.11 0.00 -0.67 2.04 -0.80 -2.05 117.51 117.27 1b46 h ILE 125 Ca 0.04 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1b46 h ILE 125 Cb 0.66 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1b46 h ILE 125 CO 0.04 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.38 1b46 n ALA 126 N -2.34 2.54 -0.89 1.87 0.00 -0.55 -4.72 120.51 116.42 1b46 n ALA 126 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1b46 n ALA 126 Cb 0.11 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1b46 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b46 n GLY 127 N 0.97 0.54 0.12 0.00 0.00 -0.77 -4.93 105.19 101.13 1b46 n GLY 127 Ca 0.19 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1b46 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b46 h LYS 128 N 1.17 0.00 -4.77 1.61 1.57 -0.79 -3.46 116.57 111.91 1b46 h LYS 128 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1b46 h LYS 128 Cb 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.06 1b46 h LYS 128 CO 0.00 0.40 -0.76 0.15 -0.57 0.00 0.00 179.45 178.67 1b46 s LYS 129 N -2.96 0.66 0.63 3.15 1.02 -1.02 -4.97 119.74 116.25 1b46 s LYS 129 Ca 0.01 -0.58 -0.17 0.00 0.02 0.00 0.00 55.97 55.26 1b46 s LYS 129 Cb 0.08 -0.58 -0.02 0.00 -0.52 0.00 0.00 37.83 36.80 1b46 s LYS 129 CO 0.77 0.14 1.13 -1.25 -0.92 0.00 0.00 175.35 175.22 1b46 s PRO 130 N -0.95 2.91 0.59 -1.68 0.04 -1.26 -4.11 135.00 130.54 1b46 s PRO 130 Ca -0.02 1.52 0.30 0.00 0.04 0.00 0.00 61.00 62.84 1b46 s PRO 130 Cb -0.07 -1.95 1.84 0.00 0.04 0.00 0.00 34.50 34.35 1b46 s PRO 130 CO 0.00 -1.18 2.25 0.00 0.04 0.00 0.00 177.00 178.11 1b46 h ALA 131 N 0.40 1.47 0.00 8.56 0.00 -1.90 -1.15 119.26 126.64 1b46 h ALA 131 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1b46 h ALA 131 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1b46 h ALA 131 CO 0.55 0.01 0.00 0.25 0.00 0.00 0.00 179.25 180.06 1b46 n THR 132 N -3.78 1.51 1.62 0.00 -2.24 -1.26 -1.47 114.28 108.66 1b46 n THR 132 Ca -0.03 0.44 0.15 0.00 -2.27 0.00 0.00 64.05 62.33 1b46 n THR 132 Cb 0.09 -1.36 0.65 0.00 -2.10 0.00 0.00 70.33 67.62 1b46 n THR 132 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1b46 n ASP 133 N -1.64 0.90 -4.69 3.42 9.92 -0.44 -4.92 116.55 119.10 1b46 n ASP 133 Ca 0.01 -1.21 -0.39 0.00 -0.53 0.00 0.00 54.79 52.68 1b46 n ASP 133 Cb 0.07 -0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.59 1b46 n ASP 133 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1b46 n LEU 134 N -0.36 4.55 -3.04 0.64 7.94 -0.54 -4.73 117.00 121.46 1b46 n LEU 134 Ca 0.20 0.96 -0.31 0.00 -1.11 0.00 0.00 56.01 55.75 1b46 n LEU 134 Cb 0.27 -1.49 -0.05 0.00 0.53 0.00 0.00 43.42 42.68 1b46 n LEU 134 CO 0.18 -1.01 2.88 0.61 -1.11 0.00 0.00 177.39 178.94 1b46 n GLY 135 N 0.95 3.79 3.15 -3.96 0.00 -0.52 -4.80 105.19 103.81 1b46 n GLY 135 Ca 0.11 -1.32 -0.17 0.00 0.00 0.00 0.00 46.02 44.63 1b46 n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b46 s VAL 136 N 2.17 1.01 -0.04 1.61 -7.23 -1.26 -0.67 120.40 115.99 1b46 s VAL 136 Ca 0.64 -1.28 -0.31 0.00 -1.81 0.00 0.00 61.98 59.22 1b46 s VAL 136 Cb 0.19 -1.01 0.07 0.00 0.56 0.00 0.00 36.38 36.19 1b46 s VAL 136 CO -0.04 -0.26 0.68 -1.59 -0.31 0.00 0.00 175.10 173.58 1b46 s LYS 137 N -1.75 1.06 -0.31 4.82 -2.85 -0.57 -5.02 119.74 115.12 1b46 s LYS 137 Ca -0.03 0.22 -0.17 0.00 -1.00 0.00 0.00 55.97 54.99 1b46 s LYS 137 Cb -0.10 0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 36.16 1b46 s LYS 137 CO 0.02 -0.34 0.47 0.00 0.10 0.00 0.00 175.35 175.60 1b46 s ALA 138 N -1.33 3.52 -0.16 0.59 0.00 -1.26 -1.14 121.76 121.98 1b46 s ALA 138 Ca -0.10 -0.92 0.18 0.00 0.00 0.00 0.00 51.96 51.12 1b46 s ALA 138 Cb -0.00 -2.90 0.26 0.00 0.00 0.00 0.00 23.12 20.47 1b46 s ALA 138 CO 0.09 -0.99 1.54 -0.07 0.00 0.00 0.00 175.76 176.32 1b46 h LEU 139 N 8.89 0.00 0.00 0.00 3.38 -1.13 -3.47 115.31 122.98 1b46 h LEU 139 Ca -0.29 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1b46 h LEU 139 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1b46 h LEU 139 CO 0.72 0.37 0.16 -0.90 0.09 0.00 0.00 178.44 178.88 1b46 n ASP 140 N -3.23 -0.87 0.27 -0.43 5.68 -1.24 -4.98 116.55 111.75 1b46 n ASP 140 Ca 0.02 -1.56 0.14 0.00 -0.50 0.00 0.00 54.79 52.90 1b46 n ASP 140 Cb 0.65 1.43 0.73 0.00 -1.14 0.00 0.00 41.12 42.79 1b46 n ASP 140 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1b46 h ASP 141 N 0.82 0.00 -0.17 -1.12 3.32 -1.99 -2.94 116.42 114.34 1b46 h ASP 141 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1b46 h ASP 141 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1b46 h ASP 141 CO 0.17 0.11 0.00 1.41 -1.72 0.00 0.00 179.24 179.20 1b46 n HIS 142 N -3.45 0.52 -3.72 4.55 8.25 -1.26 -0.70 115.22 119.41 1b46 n HIS 142 Ca -0.01 -0.85 -0.25 0.00 -0.26 0.00 0.00 57.72 56.35 1b46 n HIS 142 Cb 0.26 -0.21 -0.17 0.00 1.12 0.00 0.00 29.99 30.99 1b46 n HIS 142 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1b46 s THR 143 N -2.50 0.30 -0.19 1.59 2.01 -1.11 -0.41 115.64 115.33 1b46 s THR 143 Ca 0.34 -0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.16 1b46 s THR 143 Cb 0.27 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 1b46 s THR 143 CO 0.07 -0.01 -0.07 0.12 -0.69 0.00 0.00 174.62 174.04 1b46 s PHE 144 N 1.98 2.92 -0.14 4.92 5.36 -0.48 -0.43 117.98 132.11 1b46 s PHE 144 Ca 0.02 -0.80 0.01 0.00 -0.96 0.00 0.00 56.93 55.20 1b46 s PHE 144 Cb -0.15 -2.01 -0.00 0.00 -0.34 0.00 0.00 43.02 40.52 1b46 s PHE 144 CO -0.07 -0.40 -0.16 -2.00 -1.46 0.00 0.00 175.22 171.13 1b46 s GLU 145 N 1.04 3.22 -0.11 10.12 2.12 -0.29 -0.55 118.70 134.24 1b46 s GLU 145 Ca 0.00 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1b46 s GLU 145 Cb -0.15 -2.58 -0.02 0.00 0.26 0.00 0.00 34.13 31.65 1b46 s GLU 145 CO -0.00 0.08 -0.12 0.08 -0.54 0.00 0.00 175.26 174.75 1b46 s VAL 146 N 0.65 3.17 -0.18 3.70 1.01 -0.11 -1.51 120.40 127.12 1b46 s VAL 146 Ca -0.08 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1b46 s VAL 146 Cb -0.16 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1b46 s VAL 146 CO 0.02 0.54 -0.12 -0.89 0.00 0.00 0.00 175.10 174.65 1b46 s THR 147 N 0.08 2.81 0.35 3.92 2.01 0.16 -0.98 115.64 123.98 1b46 s THR 147 Ca -0.05 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.28 1b46 s THR 147 Cb -0.14 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 1b46 s THR 147 CO 0.04 0.49 0.52 -0.76 -0.69 0.00 0.00 174.62 174.22 1b46 s LEU 148 N 1.15 3.97 0.00 4.42 1.43 0.12 -0.77 118.68 129.00 1b46 s LEU 148 Ca 0.01 0.13 0.28 0.00 -1.03 0.00 0.00 54.13 53.52 1b46 s LEU 148 Cb -0.14 -3.00 1.04 0.00 0.03 0.00 0.00 46.19 44.12 1b46 s LEU 148 CO -0.04 -0.40 1.74 -1.54 0.23 0.00 0.00 176.35 176.35 1b46 n SER 149 N -1.74 0.69 -3.55 2.29 3.41 0.21 -4.69 113.62 110.23 1b46 n SER 149 Ca -0.03 -0.69 -0.08 0.00 -0.26 0.00 0.00 58.87 57.82 1b46 n SER 149 Cb 0.57 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1b46 n SER 149 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1b46 s GLU 150 N -2.49 0.97 0.14 4.33 -1.05 -1.26 -5.08 118.70 114.25 1b46 s GLU 150 Ca 0.27 -0.41 -0.31 0.00 -0.15 0.00 0.00 54.97 54.37 1b46 s GLU 150 Cb 0.20 0.41 -0.09 0.00 -0.44 0.00 0.00 34.13 34.20 1b46 s GLU 150 CO 0.49 -0.43 1.56 -2.14 0.95 0.00 0.00 175.26 175.69 1b46 s PRO 151 N -3.24 4.23 -0.40 -4.83 0.02 -1.26 -4.66 135.00 124.86 1b46 s PRO 151 Ca 0.06 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.41 1b46 s PRO 151 Cb -0.01 -3.24 0.13 0.00 0.02 0.00 0.00 34.50 31.40 1b46 s PRO 151 CO -0.07 -0.61 0.22 0.08 -0.33 0.00 0.00 177.00 176.30 1b46 s VAL 152 N 1.39 0.98 0.46 3.83 1.01 -0.70 -4.94 120.40 122.44 1b46 s VAL 152 Ca 0.70 -2.22 0.21 0.00 0.00 0.00 0.00 61.98 60.67 1b46 s VAL 152 Cb -0.42 -1.70 0.25 0.00 0.00 0.00 0.00 36.38 34.51 1b46 s VAL 152 CO 0.31 -0.91 2.07 -0.65 0.00 0.00 0.00 175.10 175.92 1b46 h PRO 153 N 6.91 0.00 -0.56 2.72 0.11 -1.94 -1.62 132.00 137.62 1b46 h PRO 153 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1b46 h PRO 153 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1b46 h PRO 153 CO 0.41 0.12 0.00 2.48 -0.21 0.00 0.00 178.00 180.81 1b46 n TYR 154 N -4.05 0.82 -0.19 0.65 0.18 -1.26 -4.63 117.16 108.68 1b46 n TYR 154 Ca -0.02 -0.38 0.00 0.00 1.88 0.00 0.00 57.90 59.38 1b46 n TYR 154 Cb 0.21 -0.06 0.09 0.00 -0.38 0.00 0.00 39.34 39.20 1b46 n TYR 154 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 1b46 h PHE 155 N 3.09 -0.01 -0.42 -3.48 3.57 -1.67 -0.56 116.94 117.45 1b46 h PHE 155 Ca 0.00 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1b46 h PHE 155 Cb 0.83 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1b46 h PHE 155 CO 0.42 -0.14 0.29 0.10 -2.23 0.00 0.00 178.31 176.75 1b46 h TYR 156 N 0.13 0.25 -0.11 0.41 -0.00 -1.84 -0.80 116.97 115.02 1b46 h TYR 156 Ca 0.31 0.01 0.03 0.00 -0.00 0.00 0.00 58.73 59.07 1b46 h TYR 156 Cb 0.49 -0.08 -0.00 0.00 -0.00 0.00 0.00 36.73 37.13 1b46 h TYR 156 CO -0.34 0.13 0.08 0.87 -0.00 0.00 0.00 178.16 178.90 1b46 h LYS 157 N 0.25 0.00 0.00 0.10 1.57 -1.45 -2.37 116.57 114.67 1b46 h LYS 157 Ca 0.19 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1b46 h LYS 157 Cb 0.44 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1b46 h LYS 157 CO -0.04 0.00 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.56 1b46 h LEU 158 N 0.00 0.00 0.00 2.94 4.07 -1.23 -3.32 115.31 117.77 1b46 h LEU 158 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1b46 h LEU 158 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1b46 h LEU 158 CO -0.00 0.21 0.00 0.18 -1.08 0.00 0.00 178.44 177.75 1b46 n LEU 159 N -3.96 0.00 -0.00 1.67 4.77 -0.89 -2.55 117.00 116.03 1b46 n LEU 159 Ca -0.02 0.27 0.14 0.00 -0.03 0.00 0.00 56.01 56.38 1b46 n LEU 159 Cb 0.30 -0.27 0.67 0.00 -2.33 0.00 0.00 43.42 41.78 1b46 n LEU 159 CO 0.34 -0.14 0.97 1.33 -1.33 0.00 0.00 177.39 178.56 1b46 n VAL 160 N -1.27 0.00 -2.54 4.08 0.24 -1.25 -4.08 118.33 113.51 1b46 n VAL 160 Ca 0.07 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.99 1b46 n VAL 160 Cb 0.11 -0.46 -0.04 0.00 -1.47 0.00 0.00 33.84 31.98 1b46 n VAL 160 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1b46 s HIS 161 N -2.80 3.39 0.37 6.34 5.04 -1.06 -4.90 115.29 121.67 1b46 s HIS 161 Ca 0.21 1.67 0.10 0.00 -1.54 0.00 0.00 55.06 55.50 1b46 s HIS 161 Cb 0.20 -3.16 0.86 0.00 0.04 0.00 0.00 32.58 30.52 1b46 s HIS 161 CO 0.50 -0.54 1.90 -1.35 -2.34 0.00 0.00 174.74 172.92 1b46 h PRO 162 N 2.91 0.62 0.00 2.88 0.11 -1.92 -2.80 132.00 133.80 1b46 h PRO 162 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1b46 h PRO 162 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1b46 h PRO 162 CO 0.64 0.41 -0.02 0.66 -0.21 0.00 0.00 178.00 179.47 1b46 h SER 163 N 0.64 0.00 -0.54 -2.05 4.64 -1.92 -1.11 113.55 113.20 1b46 h SER 163 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1b46 h SER 163 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1b46 h SER 163 CO -0.16 0.02 0.00 1.33 -0.87 0.00 0.00 176.83 177.15 1b46 n VAL 164 N -3.98 1.56 -2.54 0.95 0.24 -1.06 -4.79 118.33 108.71 1b46 n VAL 164 Ca -0.03 -0.99 -0.32 0.00 -2.04 0.00 0.00 64.34 60.97 1b46 n VAL 164 Cb 0.11 0.04 -0.04 0.00 -1.47 0.00 0.00 33.84 32.48 1b46 n VAL 164 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1b46 s SER 165 N -0.82 6.61 0.51 -1.34 0.01 -0.42 -4.60 113.70 113.65 1b46 s SER 165 Ca 0.43 1.46 -0.19 0.00 1.31 0.00 0.00 55.95 58.96 1b46 s SER 165 Cb 0.28 -2.46 -0.07 0.00 0.21 0.00 0.00 66.02 63.98 1b46 s SER 165 CO 0.20 -0.53 1.03 -2.16 0.41 0.00 0.00 173.24 172.19 1b46 s PRO 166 N -3.97 3.74 0.04 12.44 0.04 -1.26 -4.87 135.00 141.15 1b46 s PRO 166 Ca 0.57 1.23 0.04 0.00 0.04 0.00 0.00 61.00 62.89 1b46 s PRO 166 Cb -0.10 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1b46 s PRO 166 CO 0.31 -0.47 -0.13 0.14 0.04 0.00 0.00 177.00 176.89 1b46 s VAL 167 N -2.22 1.02 -0.64 -0.36 -7.23 -1.26 -4.82 120.40 104.88 1b46 s VAL 167 Ca 0.64 -0.99 -0.28 0.00 -1.81 0.00 0.00 61.98 59.55 1b46 s VAL 167 Cb -0.14 -0.94 0.03 0.00 0.56 0.00 0.00 36.38 35.88 1b46 s VAL 167 CO 0.25 -0.04 1.28 -2.16 -0.31 0.00 0.00 175.10 174.12 1b46 s PRO 168 N -1.16 3.33 0.21 4.82 0.04 -1.26 -4.77 135.00 136.21 1b46 s PRO 168 Ca 0.00 0.09 -0.11 0.00 0.04 0.00 0.00 61.00 61.01 1b46 s PRO 168 Cb -0.08 -4.11 0.28 0.00 0.04 0.00 0.00 34.50 30.63 1b46 s PRO 168 CO 0.01 -1.94 1.65 -0.22 0.04 0.00 0.00 177.00 176.55 1b46 h LYS 169 N 10.09 0.08 -0.99 4.56 3.64 -1.99 -1.48 116.57 130.47 1b46 h LYS 169 Ca -0.26 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1b46 h LYS 169 Cb 1.06 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 1b46 h LYS 169 CO 1.23 0.05 0.65 0.66 -2.27 0.00 0.00 179.45 179.77 1b46 h SER 170 N 0.08 1.15 -0.34 4.20 4.64 -1.99 0.14 113.55 121.42 1b46 h SER 170 Ca 0.32 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.48 1b46 h SER 170 Cb 0.51 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1b46 h SER 170 CO -0.55 0.84 -0.25 0.00 -0.87 0.00 0.00 176.83 175.99 1b46 h ALA 171 N 1.37 0.49 0.01 5.18 0.00 -1.75 -2.00 119.26 122.56 1b46 h ALA 171 Ca 0.36 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1b46 h ALA 171 Cb -0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1b46 h ALA 171 CO -0.08 0.48 -0.06 0.28 0.00 0.00 0.00 179.25 179.88 1b46 h VAL 172 N 0.55 0.85 -0.48 0.00 2.07 -0.46 -0.66 116.25 118.12 1b46 h VAL 172 Ca 0.07 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 1b46 h VAL 172 Cb 0.82 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1b46 h VAL 172 CO 0.07 0.00 -0.08 -0.33 0.02 0.00 0.00 177.57 177.25 1b46 h GLU 173 N -0.11 0.85 0.06 1.57 5.08 -0.77 -0.53 114.58 120.73 1b46 h GLU 173 Ca 0.02 -0.28 -0.24 0.00 -1.00 0.00 0.00 59.36 57.87 1b46 h GLU 173 Cb 0.13 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1b46 h GLU 173 CO -0.06 0.90 -1.06 -0.22 -1.00 0.00 0.00 179.01 177.57 1b46 h LYS 174 N 0.77 0.30 -0.00 2.33 3.64 -1.26 -3.38 116.57 118.98 1b46 h LYS 174 Ca 0.13 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1b46 h LYS 174 Cb 0.57 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1b46 h LYS 174 CO 0.03 1.13 -0.48 1.19 -2.27 0.00 0.00 179.45 179.05 1b46 n PHE 175 N -3.63 0.00 -2.24 1.91 3.72 -0.26 -5.07 117.46 111.89 1b46 n PHE 175 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1b46 n PHE 175 Cb 0.92 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 1b46 n PHE 175 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b46 n GLY 176 N 1.22 3.24 0.31 1.37 0.00 -0.21 -1.79 105.19 109.34 1b46 n GLY 176 Ca 0.02 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 45.98 1b46 n GLY 176 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1b46 h ASP 177 N 4.47 0.00 -0.62 1.61 2.03 -1.96 -0.96 116.42 121.00 1b46 h ASP 177 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1b46 h ASP 177 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1b46 h ASP 177 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 1b46 n LYS 178 N -2.79 3.92 0.25 4.15 5.02 -0.74 -4.39 118.16 123.59 1b46 n LYS 178 Ca -0.02 -2.85 0.12 0.00 -2.02 0.00 0.00 58.31 53.55 1b46 n LYS 178 Cb 0.31 -1.97 0.67 0.00 -0.02 0.00 0.00 35.03 34.02 1b46 n LYS 178 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1b46 h TRP 179 N 3.97 0.00 -0.01 2.13 5.08 -1.29 -2.10 115.95 123.74 1b46 h TRP 179 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1b46 h TRP 179 Cb 1.54 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.70 1b46 h TRP 179 CO 0.83 0.14 -0.01 0.25 -1.28 0.00 0.00 178.44 178.37 1b46 n THR 180 N -3.57 0.00 -1.92 0.12 -2.24 -1.26 -1.72 114.28 103.68 1b46 n THR 180 Ca -0.01 -0.14 -0.36 0.00 -2.27 0.00 0.00 64.05 61.27 1b46 n THR 180 Cb 0.28 0.07 0.04 0.00 -2.10 0.00 0.00 70.33 68.62 1b46 n THR 180 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1b46 s GLN 181 N -2.02 2.85 0.28 -0.78 -1.52 -0.79 -4.60 119.66 113.07 1b46 s GLN 181 Ca 0.42 1.81 0.01 0.00 -1.95 0.00 0.00 55.36 55.65 1b46 s GLN 181 Cb 0.21 -1.92 0.63 0.00 -0.22 0.00 0.00 33.01 31.72 1b46 s GLN 181 CO 0.36 -1.30 1.73 -1.35 -0.25 0.00 0.00 175.29 174.47 1b46 h PRO 182 N 0.69 0.48 0.00 2.91 0.11 -1.89 0.71 132.00 135.01 1b46 h PRO 182 Ca -0.50 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1b46 h PRO 182 Cb 1.30 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1b46 h PRO 182 CO 0.54 0.32 -0.05 0.00 -0.21 0.00 0.00 178.00 178.60 1b46 h ALA 183 N 1.64 1.03 0.00 -0.75 0.00 -1.92 -3.33 119.26 115.93 1b46 h ALA 183 Ca 0.51 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.21 1b46 h ALA 183 Cb 0.86 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1b46 h ALA 183 CO -0.45 0.06 -1.69 0.09 0.00 0.00 0.00 179.25 177.26 1b46 n ASN 184 N -3.19 2.41 -4.77 0.00 3.02 -0.42 -5.04 115.26 107.27 1b46 n ASN 184 Ca -0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.16 1b46 n ASN 184 Cb 0.29 0.86 -0.00 0.00 -0.61 0.00 0.00 39.78 40.32 1b46 n ASN 184 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1b46 s ILE 185 N -2.33 2.75 -0.11 2.41 2.07 0.11 -4.90 121.20 121.21 1b46 s ILE 185 Ca -0.05 0.62 0.02 0.00 -1.41 0.00 0.00 60.65 59.83 1b46 s ILE 185 Cb 0.04 -3.34 0.01 0.00 0.13 0.00 0.00 42.46 39.30 1b46 s ILE 185 CO 0.44 0.05 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.65 1b46 s VAL 186 N -1.37 1.62 0.16 4.00 1.01 -1.26 -4.98 120.40 119.58 1b46 s VAL 186 Ca 0.61 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1b46 s VAL 186 Cb -0.35 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1b46 s VAL 186 CO 0.43 0.46 -0.17 0.42 0.00 0.00 0.00 175.10 176.25 1b46 s THR 187 N 0.83 1.70 0.00 3.92 -4.23 -1.26 -4.67 115.64 111.92 1b46 s THR 187 Ca -0.09 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1b46 s THR 187 Cb -0.16 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 71.88 1b46 s THR 187 CO 0.01 -0.38 0.87 -0.46 -0.54 0.00 0.00 174.62 174.11 1b46 n ASN 188 N 0.25 1.70 -1.96 3.99 6.94 -0.76 0.48 115.26 125.90 1b46 n ASN 188 Ca -0.13 -1.74 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 1b46 n ASN 188 Cb 0.58 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 1b46 n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1b46 n GLY 189 N -0.37 0.16 0.27 4.83 0.00 0.78 -4.43 105.19 106.42 1b46 n GLY 189 Ca 0.00 -1.85 0.14 0.00 0.00 0.00 0.00 46.02 44.32 1b46 n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b46 h ALA 190 N -1.08 1.13 -1.91 4.61 0.00 -1.79 -3.42 119.26 116.79 1b46 h ALA 190 Ca 0.00 -0.09 -0.61 0.00 0.00 0.00 0.00 54.91 54.21 1b46 h ALA 190 Cb 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.65 1b46 h ALA 190 CO 0.00 0.13 -0.65 0.71 0.00 0.00 0.00 179.25 179.43 1b46 s TYR 191 N -3.96 2.47 0.23 0.00 1.51 -0.41 -0.21 117.35 116.98 1b46 s TYR 191 Ca -0.02 -0.49 0.09 0.00 -1.01 0.00 0.00 57.07 55.65 1b46 s TYR 191 Cb 0.12 -1.45 -0.05 0.00 -0.11 0.00 0.00 41.96 40.47 1b46 s TYR 191 CO 0.56 0.53 -0.17 0.15 -1.11 0.00 0.00 175.55 175.52 1b46 s LYS 192 N -3.66 1.45 -0.12 -0.62 1.02 0.10 -4.51 119.74 113.40 1b46 s LYS 192 Ca 0.34 -1.64 -0.22 0.00 0.02 0.00 0.00 55.97 54.47 1b46 s LYS 192 Cb 0.02 -1.38 -0.03 0.00 -0.52 0.00 0.00 37.83 35.92 1b46 s LYS 192 CO 0.18 0.25 0.67 -1.17 -0.92 0.00 0.00 175.35 174.35 1b46 s LEU 193 N -3.32 4.25 -0.27 3.17 2.96 -1.26 -1.20 118.68 123.01 1b46 s LEU 193 Ca 0.24 1.05 -0.13 0.00 -0.22 0.00 0.00 54.13 55.07 1b46 s LEU 193 Cb -0.03 -3.00 -0.13 0.00 0.50 0.00 0.00 46.19 43.53 1b46 s LEU 193 CO 0.10 -0.17 -0.29 1.17 -1.32 0.00 0.00 176.35 175.84 1b46 n LYS 194 N 4.24 0.59 -3.89 1.98 4.81 0.41 -4.82 118.16 121.49 1b46 n LYS 194 Ca -0.01 0.28 -0.11 0.00 -0.87 0.00 0.00 58.31 57.60 1b46 n LYS 194 Cb 0.51 -1.52 -0.12 0.00 0.02 0.00 0.00 35.03 33.92 1b46 n LYS 194 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1b46 s ASN 195 N -7.37 0.04 -0.30 3.14 0.01 -0.93 -4.88 114.94 104.66 1b46 s ASN 195 Ca -0.38 -0.12 -0.01 0.00 -0.71 0.00 0.00 52.86 51.65 1b46 s ASN 195 Cb 0.14 0.14 0.13 0.00 0.41 0.00 0.00 41.25 42.06 1b46 s ASN 195 CO 0.51 -0.17 0.25 0.86 -1.51 0.00 0.00 177.10 177.04 1b46 s TRP 196 N -0.68 -0.15 -0.42 2.20 -0.00 -1.26 -0.47 118.94 118.16 1b46 s TRP 196 Ca -0.08 -0.52 -0.09 0.00 -0.00 0.00 0.00 56.10 55.41 1b46 s TRP 196 Cb -0.05 -0.61 0.08 0.00 -0.00 0.00 0.00 33.47 32.89 1b46 s TRP 196 CO 0.00 -0.89 0.25 0.08 -0.00 0.00 0.00 176.95 176.39 1b46 s VAL 197 N 2.13 4.15 0.20 5.86 1.01 0.11 -5.02 120.40 128.84 1b46 s VAL 197 Ca 0.10 -1.45 -0.33 0.00 0.00 0.00 0.00 61.98 60.31 1b46 s VAL 197 Cb -0.15 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.54 1b46 s VAL 197 CO -0.30 -0.52 1.56 0.52 0.00 0.00 0.00 175.10 176.36 1b46 n VAL 198 N 4.89 0.32 -1.54 2.92 0.31 -1.26 -1.22 118.33 122.75 1b46 n VAL 198 Ca -0.10 -0.08 -0.16 0.00 -0.01 0.00 0.00 64.34 64.00 1b46 n VAL 198 Cb 0.43 -1.62 -0.06 0.00 -0.91 0.00 0.00 33.84 31.67 1b46 n VAL 198 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1b46 n ASN 199 N 3.08 -4.91 0.10 4.52 5.03 -1.26 -4.78 115.26 117.04 1b46 n ASN 199 Ca 0.15 0.36 0.00 0.00 0.87 0.00 0.00 54.58 55.96 1b46 n ASN 199 Cb 0.31 -3.83 0.00 0.00 -1.02 0.00 0.00 39.78 35.24 1b46 n ASN 199 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1b46 n GLU 200 N -2.54 0.00 -3.54 3.52 1.02 -0.36 -4.93 120.64 113.82 1b46 n GLU 200 Ca -0.16 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.90 1b46 n GLU 200 Cb 0.53 -0.16 -0.03 0.00 -0.02 0.00 0.00 31.44 31.76 1b46 n GLU 200 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1b46 s ARG 201 N -1.86 0.65 -0.16 3.49 1.70 -0.55 -4.38 118.95 117.85 1b46 s ARG 201 Ca 0.00 -0.14 0.01 0.00 -0.47 0.00 0.00 55.73 55.14 1b46 s ARG 201 Cb 0.00 0.30 0.01 0.00 -0.57 0.00 0.00 34.95 34.69 1b46 s ARG 201 CO 0.00 -0.26 -0.20 0.42 -1.08 0.00 0.00 175.30 174.18 1b46 s ILE 202 N -2.41 2.22 -0.15 4.99 1.01 -0.41 -0.71 121.20 125.75 1b46 s ILE 202 Ca 0.04 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1b46 s ILE 202 Cb -0.01 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1b46 s ILE 202 CO -0.05 0.54 -0.20 -0.69 0.00 0.00 0.00 174.94 174.53 1b46 s VAL 203 N 0.97 2.21 0.05 2.92 1.01 0.37 -0.40 120.40 127.55 1b46 s VAL 203 Ca -0.03 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1b46 s VAL 203 Cb -0.15 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1b46 s VAL 203 CO -0.05 0.54 -0.01 -0.76 0.00 0.00 0.00 175.10 174.83 1b46 s LEU 204 N 0.84 3.45 0.11 3.92 1.43 0.08 -0.44 118.68 128.06 1b46 s LEU 204 Ca -0.06 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 1b46 s LEU 204 Cb -0.15 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1b46 s LEU 204 CO -0.02 0.22 -0.19 -1.83 0.23 0.00 0.00 176.35 174.77 1b46 s GLU 205 N -1.96 1.08 0.28 1.70 -1.05 -0.34 -1.48 118.70 116.91 1b46 s GLU 205 Ca 0.23 -1.17 -0.29 0.00 -0.15 0.00 0.00 54.97 53.59 1b46 s GLU 205 Cb -0.12 -1.22 -0.14 0.00 -0.44 0.00 0.00 34.13 32.21 1b46 s GLU 205 CO 0.14 0.27 1.05 -2.13 0.95 0.00 0.00 175.26 175.55 1b46 n ARG 206 N 0.95 1.38 -3.46 -4.83 0.63 -0.33 0.00 116.66 111.00 1b46 n ARG 206 Ca -0.18 0.49 -0.43 0.00 -0.92 0.00 0.00 57.85 56.80 1b46 n ARG 206 Cb 0.54 -1.89 -0.10 0.00 0.45 0.00 0.00 32.46 31.47 1b46 n ARG 206 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1b46 s ASN 207 N -0.45 6.08 0.37 6.15 2.47 0.71 -4.56 114.94 125.72 1b46 s ASN 207 Ca 0.60 -0.97 0.28 0.00 0.42 0.00 0.00 52.86 53.19 1b46 s ASN 207 Cb -0.71 -2.15 1.18 0.00 -1.45 0.00 0.00 41.25 38.12 1b46 s ASN 207 CO 0.59 -0.47 1.82 1.55 -3.72 0.00 0.00 177.10 176.87 1b46 h PRO 208 N 8.63 0.00 0.00 0.43 0.13 -1.92 -1.92 132.00 137.35 1b46 h PRO 208 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1b46 h PRO 208 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1b46 h PRO 208 CO 0.74 0.00 -0.30 1.04 -0.23 0.00 0.00 178.00 179.25 1b46 n GLN 209 N -2.55 0.04 -1.71 0.86 1.13 -1.26 -4.86 117.38 109.03 1b46 n GLN 209 Ca 0.01 0.02 -0.43 0.00 -1.94 0.00 0.00 57.00 54.66 1b46 n GLN 209 Cb 0.24 -1.54 -0.03 0.00 0.11 0.00 0.00 30.24 29.02 1b46 n GLN 209 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1b46 n TYR 210 N -1.60 2.60 -0.33 1.08 9.36 -0.72 -4.34 117.16 123.21 1b46 n TYR 210 Ca 0.06 0.21 0.12 0.00 3.32 0.00 0.00 57.90 61.61 1b46 n TYR 210 Cb 0.35 -2.59 0.33 0.00 -0.63 0.00 0.00 39.34 36.80 1b46 n TYR 210 CO 0.00 0.00 0.00 0.11 0.22 0.00 0.00 176.86 177.19 1b46 h TRP 211 N 5.58 1.00 -0.78 2.98 5.08 -1.85 -0.59 115.95 127.37 1b46 h TRP 211 Ca -0.45 0.03 -0.26 0.00 1.08 0.00 0.00 58.89 59.29 1b46 h TRP 211 Cb 1.23 -0.31 -0.16 0.00 -3.00 0.00 0.00 29.16 26.93 1b46 h TRP 211 CO 0.61 0.30 0.33 -3.47 -1.28 0.00 0.00 178.44 174.93 1b46 n ASP 212 N -4.66 4.73 -0.08 0.11 2.03 -1.26 -4.68 116.55 112.73 1b46 n ASP 212 Ca 0.21 -3.27 0.23 0.00 0.52 0.00 0.00 54.79 52.48 1b46 n ASP 212 Cb 0.50 -0.76 0.68 0.00 -0.72 0.00 0.00 41.12 40.82 1b46 n ASP 212 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1b46 h ASN 213 N 2.47 0.04 0.10 1.67 -1.24 -1.41 -1.88 115.58 115.33 1b46 h ASN 213 Ca 0.32 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.32 1b46 h ASN 213 Cb 2.43 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 41.47 1b46 h ASN 213 CO 0.80 0.02 -0.06 0.00 -1.29 0.00 0.00 177.43 176.90 1b46 h ALA 214 N 1.66 1.67 -0.00 1.57 0.00 -1.84 -2.04 119.26 120.28 1b46 h ALA 214 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1b46 h ALA 214 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1b46 h ALA 214 CO -0.02 0.08 -0.63 1.63 0.00 0.00 0.00 179.25 180.31 1b46 n LYS 215 N -4.14 0.03 -2.27 0.00 5.02 -0.71 -4.91 118.16 111.18 1b46 n LYS 215 Ca -0.03 -0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.83 1b46 n LYS 215 Cb 0.15 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 1b46 n LYS 215 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1b46 s THR 216 N -2.98 3.26 -0.12 -0.18 2.01 -0.77 0.06 115.64 116.92 1b46 s THR 216 Ca 0.11 1.09 -0.06 0.00 0.31 0.00 0.00 61.69 63.14 1b46 s THR 216 Cb 0.17 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 1b46 s THR 216 CO 0.74 0.19 -0.16 0.52 -0.69 0.00 0.00 174.62 175.22 1b46 n VAL 217 N 2.19 0.69 -2.10 3.82 0.31 -1.26 -4.91 118.33 117.07 1b46 n VAL 217 Ca 0.04 -0.15 -0.42 0.00 -0.01 0.00 0.00 64.34 63.80 1b46 n VAL 217 Cb 0.43 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.66 1b46 n VAL 217 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1b46 s ILE 218 N -2.23 3.21 -0.09 2.52 -1.09 -1.26 -4.84 121.20 117.42 1b46 s ILE 218 Ca -0.17 0.81 0.15 0.00 -2.23 0.00 0.00 60.65 59.21 1b46 s ILE 218 Cb 0.06 -3.52 -0.16 0.00 -1.58 0.00 0.00 42.46 37.26 1b46 s ILE 218 CO 0.21 0.04 0.81 0.78 -1.23 0.00 0.00 174.94 175.56 1b46 h ASN 219 N 7.16 0.00 -3.62 3.58 2.35 -1.32 -3.43 115.58 120.30 1b46 h ASN 219 Ca -0.42 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.16 1b46 h ASN 219 Cb 1.20 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 39.30 1b46 h ASN 219 CO 0.89 0.73 -0.45 -1.58 -1.65 0.00 0.00 177.43 175.36 1b46 s GLN 220 N -2.81 0.25 -0.03 0.81 0.74 -1.21 -1.18 119.66 116.23 1b46 s GLN 220 Ca -0.03 0.42 0.03 0.00 0.05 0.00 0.00 55.36 55.83 1b46 s GLN 220 Cb 0.08 0.03 -0.00 0.00 1.10 0.00 0.00 33.01 34.22 1b46 s GLN 220 CO 0.81 -0.09 -0.12 0.54 -0.55 0.00 0.00 175.29 175.89 1b46 s VAL 221 N 0.60 1.01 -0.09 1.34 0.11 -0.55 -1.60 120.40 121.22 1b46 s VAL 221 Ca -0.04 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1b46 s VAL 221 Cb -0.05 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 1b46 s VAL 221 CO -0.03 0.30 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.03 1b46 s THR 222 N 0.08 3.22 -0.18 5.04 2.01 0.15 -0.74 115.64 125.21 1b46 s THR 222 Ca -0.02 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 1b46 s THR 222 Cb -0.09 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 1b46 s THR 222 CO 0.01 0.56 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.14 1b46 s TYR 223 N -0.22 2.98 0.18 4.92 2.02 0.47 -0.27 117.35 127.42 1b46 s TYR 223 Ca 0.01 -0.58 0.05 0.00 -0.37 0.00 0.00 57.07 56.18 1b46 s TYR 223 Cb -0.13 -2.02 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 1b46 s TYR 223 CO 0.03 -0.27 0.21 -0.51 -1.57 0.00 0.00 175.55 173.44 1b46 s LEU 224 N 0.87 4.02 -0.50 -1.29 1.43 -0.60 -1.28 118.68 121.32 1b46 s LEU 224 Ca -0.01 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1b46 s LEU 224 Cb -0.15 -2.59 0.49 0.00 0.03 0.00 0.00 46.19 43.97 1b46 s LEU 224 CO 0.01 0.03 1.76 -0.81 0.23 0.00 0.00 176.35 177.57 1b46 n PRO 225 N -0.65 2.71 -2.69 1.29 -0.04 -1.26 -0.39 135.00 133.96 1b46 n PRO 225 Ca -0.08 -3.43 -0.43 0.00 -0.04 0.00 0.00 63.50 59.53 1b46 n PRO 225 Cb 0.55 -2.21 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 1b46 n PRO 225 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1b46 s ILE 226 N -4.33 4.53 -0.87 0.52 1.01 -1.26 -3.92 121.20 116.88 1b46 s ILE 226 Ca 0.58 1.57 0.24 0.00 0.00 0.00 0.00 60.65 63.04 1b46 s ILE 226 Cb 0.47 -4.39 -0.00 0.00 0.01 0.00 0.00 42.46 38.55 1b46 s ILE 226 CO 0.02 -0.50 1.34 -1.54 0.00 0.00 0.00 174.94 174.26 1b46 n SER 227 N 6.84 0.57 -4.61 3.58 3.41 -1.22 -3.77 113.62 118.42 1b46 n SER 227 Ca 0.10 -0.17 -0.43 0.00 -0.26 0.00 0.00 58.87 58.12 1b46 n SER 227 Cb 0.47 0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.70 1b46 n SER 227 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1b46 s SER 228 N -3.40 6.73 0.39 4.04 0.15 -1.26 -4.15 113.70 116.20 1b46 s SER 228 Ca 0.09 0.70 0.14 0.00 0.70 0.00 0.00 55.95 57.57 1b46 s SER 228 Cb 0.16 -2.47 0.80 0.00 -1.71 0.00 0.00 66.02 62.79 1b46 s SER 228 CO 0.72 -0.83 1.86 -0.33 1.20 0.00 0.00 173.24 175.86 1b46 h GLU 229 N 8.34 0.00 -0.36 5.44 3.07 -1.88 -0.11 114.58 129.07 1b46 h GLU 229 Ca -0.23 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.59 1b46 h GLU 229 Cb 1.08 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 1b46 h GLU 229 CO 0.98 0.33 0.07 0.28 -1.40 0.00 0.00 179.01 179.28 1b46 h VAL 230 N 0.00 1.23 -0.47 3.13 2.07 -1.94 -1.80 116.25 118.47 1b46 h VAL 230 Ca -0.00 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1b46 h VAL 230 Cb 0.61 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1b46 h VAL 230 CO 0.04 0.27 0.21 0.74 0.02 0.00 0.00 177.57 178.85 1b46 h THR 231 N 0.44 1.20 0.06 2.57 2.02 -1.89 0.32 112.91 117.62 1b46 h THR 231 Ca 0.11 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.73 1b46 h THR 231 Cb 0.33 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1b46 h THR 231 CO 0.00 0.22 -0.23 -0.78 0.37 0.00 0.00 175.52 175.11 1b46 h ASP 232 N 0.62 -0.65 -0.66 4.18 1.82 -0.86 0.57 116.42 121.43 1b46 h ASP 232 Ca 0.16 0.08 0.06 0.00 -0.39 0.00 0.00 57.03 56.95 1b46 h ASP 232 Cb 0.15 0.26 -0.06 0.00 0.68 0.00 0.00 39.33 40.37 1b46 h ASP 232 CO -0.02 -0.30 0.36 0.58 -1.61 0.00 0.00 179.24 178.25 1b46 h VAL 233 N -0.39 0.95 -0.57 2.25 2.07 -1.09 0.86 116.25 120.34 1b46 h VAL 233 Ca 0.04 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1b46 h VAL 233 Cb 0.44 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1b46 h VAL 233 CO -0.17 0.12 0.36 0.78 0.02 0.00 0.00 177.57 178.68 1b46 h ASN 234 N 0.66 0.59 1.09 0.57 2.35 -0.36 0.68 115.58 121.16 1b46 h ASN 234 Ca 0.30 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.98 1b46 h ASN 234 Cb 0.21 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1b46 h ASN 234 CO -0.19 0.42 -0.33 0.03 -1.65 0.00 0.00 177.43 175.70 1b46 h ARG 235 N 0.71 0.00 -0.02 0.81 3.08 -0.39 -1.28 114.38 117.30 1b46 h ARG 235 Ca 0.22 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1b46 h ARG 235 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1b46 h ARG 235 CO -0.08 0.33 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.22 1b46 h TYR 236 N 0.00 0.04 0.00 3.04 5.03 -0.41 -0.57 116.97 124.10 1b46 h TYR 236 Ca -0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1b46 h TYR 236 Cb 0.97 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.24 1b46 h TYR 236 CO 0.00 0.47 0.00 0.00 -1.32 0.00 0.00 178.16 177.31 1b46 h ARG 237 N -0.39 0.00 0.00 1.82 3.08 -0.55 -1.13 114.38 117.21 1b46 h ARG 237 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b46 h ARG 237 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1b46 h ARG 237 CO 0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 1b46 h SER 238 N 0.00 0.00 0.00 7.04 4.64 -1.33 -3.47 113.55 120.43 1b46 h SER 238 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b46 h SER 238 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1b46 h SER 238 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1b46 n GLY 239 N 0.91 2.03 0.24 -0.77 0.00 -0.43 -4.98 105.19 102.18 1b46 n GLY 239 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1b46 n GLY 239 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1b46 h GLU 240 N 1.83 0.79 -5.64 1.61 4.81 -1.52 -3.44 114.58 113.02 1b46 h GLU 240 Ca 0.00 -0.32 -0.65 0.00 -0.13 0.00 0.00 59.36 58.26 1b46 h GLU 240 Cb 0.00 -0.04 -0.15 0.00 0.63 0.00 0.00 28.75 29.19 1b46 h GLU 240 CO 0.00 0.94 -0.59 0.42 -0.73 0.00 0.00 179.01 179.05 1b46 s ILE 241 N -4.74 4.59 -0.07 2.32 1.01 -0.31 -4.76 121.20 119.23 1b46 s ILE 241 Ca -0.12 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.47 1b46 s ILE 241 Cb 0.10 -2.99 -0.24 0.00 0.01 0.00 0.00 42.46 39.34 1b46 s ILE 241 CO 0.82 0.55 0.54 0.47 0.00 0.00 0.00 174.94 177.33 1b46 n ASP 242 N 2.68 1.22 -3.81 3.58 8.00 -0.01 -4.41 116.55 123.80 1b46 n ASP 242 Ca -0.18 0.33 -0.21 0.00 0.71 0.00 0.00 54.79 55.44 1b46 n ASP 242 Cb 0.53 -0.26 -0.17 0.00 -0.02 0.00 0.00 41.12 41.20 1b46 n ASP 242 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1b46 s MET 243 N -2.58 0.63 0.93 -1.24 -1.94 -0.97 -1.72 119.30 112.42 1b46 s MET 243 Ca -0.10 0.04 -0.13 0.00 -1.71 0.00 0.00 55.69 53.79 1b46 s MET 243 Cb 0.07 -0.87 0.15 0.00 2.01 0.00 0.00 34.83 36.20 1b46 s MET 243 CO 0.81 -0.22 1.14 0.95 -0.01 0.00 0.00 175.02 177.69 1b46 s THR 244 N 1.54 1.98 0.73 2.05 -4.23 -0.56 -1.30 115.64 115.86 1b46 s THR 244 Ca -0.02 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.38 1b46 s THR 244 Cb -0.13 -2.75 0.03 0.00 1.34 0.00 0.00 72.50 71.00 1b46 s THR 244 CO -0.03 0.00 1.08 -0.47 -0.54 0.00 0.00 174.62 174.66 1b46 s TYR 245 N -3.29 2.81 -0.99 3.99 5.04 -1.23 -4.53 117.35 119.14 1b46 s TYR 245 Ca 0.65 1.50 -0.02 0.00 -2.44 0.00 0.00 57.07 56.76 1b46 s TYR 245 Cb -0.14 -2.98 0.30 0.00 0.35 0.00 0.00 41.96 39.49 1b46 s TYR 245 CO 0.53 -1.55 1.37 0.27 -1.34 0.00 0.00 175.55 174.84 1b46 n ASN 246 N -3.29 6.01 -3.66 4.32 0.23 -1.26 -4.65 115.26 112.96 1b46 n ASN 246 Ca 0.08 -3.45 -0.15 0.00 -0.53 0.00 0.00 54.58 50.54 1b46 n ASN 246 Cb 0.53 -1.15 -0.14 0.00 -2.08 0.00 0.00 39.78 36.95 1b46 n ASN 246 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1b46 s ASN 247 N -1.93 0.48 -0.04 0.53 -0.87 -1.25 -4.71 114.94 107.15 1b46 s ASN 247 Ca 0.33 0.51 0.03 0.00 -1.57 0.00 0.00 52.86 52.16 1b46 s ASN 247 Cb 0.08 0.55 -0.03 0.00 -0.02 0.00 0.00 41.25 41.84 1b46 s ASN 247 CO 0.07 -0.24 -0.10 -0.04 -2.57 0.00 0.00 177.10 174.22 1b46 s MET 248 N 2.37 2.58 0.37 -0.60 -1.94 -1.26 -4.84 119.30 115.98 1b46 s MET 248 Ca 0.02 -0.66 -0.26 0.00 -1.71 0.00 0.00 55.69 53.08 1b46 s MET 248 Cb -0.12 -2.48 -0.09 0.00 2.01 0.00 0.00 34.83 34.15 1b46 s MET 248 CO -0.08 0.63 1.14 -1.25 -0.01 0.00 0.00 175.02 175.45 1b46 s PRO 249 N -0.97 4.21 0.15 2.03 0.04 -1.26 -4.77 135.00 134.43 1b46 s PRO 249 Ca 0.13 1.78 -0.06 0.00 0.04 0.00 0.00 61.00 62.89 1b46 s PRO 249 Cb -0.11 -2.77 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 1b46 s PRO 249 CO 0.03 -0.17 1.41 0.82 0.04 0.00 0.00 177.00 179.12 1b46 h ILE 250 N 2.48 1.32 -0.81 0.56 2.04 -1.94 -2.13 117.51 119.04 1b46 h ILE 250 Ca -0.48 -1.98 0.08 0.00 1.00 0.00 0.00 64.86 63.48 1b46 h ILE 250 Cb 1.23 1.96 -0.05 0.00 -0.74 0.00 0.00 36.82 39.21 1b46 h ILE 250 CO 0.63 0.61 0.53 -0.33 0.00 0.00 0.00 178.15 179.59 1b46 h GLU 251 N 0.43 0.79 0.00 2.37 3.07 -1.97 -3.35 114.58 115.91 1b46 h GLU 251 Ca -0.03 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1b46 h GLU 251 Cb 1.28 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1b46 h GLU 251 CO 0.13 0.52 -1.10 1.28 -1.40 0.00 0.00 179.01 178.45 1b46 n LEU 252 N -4.50 0.00 -0.12 1.33 4.77 -1.22 -4.88 117.00 112.39 1b46 n LEU 252 Ca 0.13 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.00 1b46 n LEU 252 Cb 0.27 0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1b46 n LEU 252 CO 0.33 0.01 0.57 0.15 -1.33 0.00 0.00 177.39 177.11 1b46 h PHE 253 N 0.00 -1.30 -0.22 -1.77 3.57 -1.52 -1.75 116.94 113.94 1b46 h PHE 253 Ca -0.01 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1b46 h PHE 253 Cb 0.25 0.62 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 1b46 h PHE 253 CO 0.00 -0.45 -0.54 1.96 -2.23 0.00 0.00 178.31 177.04 1b46 h GLN 254 N -0.35 -0.50 -0.89 1.11 1.08 -1.85 -1.85 115.11 111.86 1b46 h GLN 254 Ca 0.13 0.03 0.09 0.00 -1.45 0.00 0.00 58.65 57.45 1b46 h GLN 254 Cb 0.59 0.11 -0.11 0.00 -0.05 0.00 0.00 27.48 28.02 1b46 h GLN 254 CO -0.56 -0.34 -0.49 1.63 -0.95 0.00 0.00 178.83 178.12 1b46 n LYS 255 N -5.42 -0.36 -0.26 1.46 4.76 -0.84 -1.94 118.16 115.56 1b46 n LYS 255 Ca -0.05 1.35 0.07 0.00 -2.87 0.00 0.00 58.31 56.80 1b46 n LYS 255 Cb 0.37 -1.99 0.21 0.00 -1.84 0.00 0.00 35.03 31.78 1b46 n LYS 255 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1b46 h LEU 256 N 0.00 0.21 -0.90 -0.35 3.38 -0.49 0.11 115.31 117.28 1b46 h LEU 256 Ca 0.17 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.31 1b46 h LEU 256 Cb 0.40 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1b46 h LEU 256 CO -0.85 0.05 0.58 0.50 0.09 0.00 0.00 178.44 178.81 1b46 h LYS 257 N 0.39 1.09 0.15 1.13 1.63 -1.17 0.65 116.57 120.44 1b46 h LYS 257 Ca 0.44 -0.07 -0.30 0.00 -0.85 0.00 0.00 60.65 59.87 1b46 h LYS 257 Cb 0.72 -0.25 0.03 0.00 -0.60 0.00 0.00 32.23 32.13 1b46 h LYS 257 CO -0.46 0.72 -1.30 0.87 -3.45 0.00 0.00 179.45 175.84 1b46 h LYS 258 N 1.12 0.53 0.05 1.90 1.79 -1.37 -3.18 116.57 117.41 1b46 h LYS 258 Ca 0.36 -0.77 -0.17 0.00 -2.18 0.00 0.00 60.65 57.89 1b46 h LYS 258 Cb 0.02 0.27 0.02 0.00 -1.58 0.00 0.00 32.23 30.95 1b46 h LYS 258 CO -0.12 1.35 -0.69 0.93 -1.08 0.00 0.00 179.45 179.84 1b46 h GLU 259 N 0.20 0.38 -2.06 3.15 5.08 -0.32 -3.40 114.58 117.61 1b46 h GLU 259 Ca -0.19 -0.48 -0.56 0.00 -1.00 0.00 0.00 59.36 57.13 1b46 h GLU 259 Cb 1.98 0.15 -0.40 0.00 0.50 0.00 0.00 28.75 30.98 1b46 h GLU 259 CO 0.24 1.16 -0.98 0.44 -1.00 0.00 0.00 179.01 178.87 1b46 n ILE 260 N -4.18 0.32 -0.36 3.13 -5.35 0.22 -4.99 119.36 108.16 1b46 n ILE 260 Ca -0.12 -4.48 0.02 0.00 -0.27 0.00 0.00 62.75 57.91 1b46 n ILE 260 Cb 0.73 -1.68 0.17 0.00 -1.74 0.00 0.00 39.64 37.12 1b46 n ILE 260 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1b46 h PRO 261 N 3.81 1.09 0.00 6.28 0.13 -1.64 -1.90 132.00 139.77 1b46 h PRO 261 Ca 0.11 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1b46 h PRO 261 Cb 0.82 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1b46 h PRO 261 CO 0.57 0.72 0.00 -0.91 -0.23 0.00 0.00 178.00 178.16 1b46 h ASN 262 N 1.12 0.00 0.43 1.44 -0.26 -1.93 -2.92 115.58 113.46 1b46 h ASN 262 Ca 0.42 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.16 1b46 h ASN 262 Cb 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 1b46 h ASN 262 CO -0.18 0.00 -0.68 -0.62 -1.06 0.00 0.00 177.43 174.90 1b46 n GLU 263 N -3.03 0.07 -3.04 0.81 1.02 -0.72 -4.79 120.64 110.95 1b46 n GLU 263 Ca 0.00 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1b46 n GLU 263 Cb 0.27 -1.53 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 1b46 n GLU 263 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1b46 s VAL 264 N -3.04 4.71 -0.14 2.62 1.01 -1.11 -1.07 120.40 123.37 1b46 s VAL 264 Ca 0.09 -0.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 1b46 s VAL 264 Cb 0.16 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1b46 s VAL 264 CO 0.75 -0.89 0.36 -0.13 0.00 0.00 0.00 175.10 175.19 1b46 s ARG 265 N 3.09 4.28 -0.17 2.72 1.81 -0.24 -4.98 118.95 125.46 1b46 s ARG 265 Ca 0.21 0.23 -0.03 0.00 -1.72 0.00 0.00 55.73 54.42 1b46 s ARG 265 Cb -0.16 -3.43 0.05 0.00 -0.45 0.00 0.00 34.95 30.96 1b46 s ARG 265 CO 0.15 0.21 0.04 0.08 -0.68 0.00 0.00 175.30 175.10 1b46 s VAL 266 N 0.51 0.41 0.25 3.52 1.01 -1.26 -1.87 120.40 122.98 1b46 s VAL 266 Ca 0.20 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1b46 s VAL 266 Cb -0.14 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 1b46 s VAL 266 CO 0.06 -0.13 0.04 -1.81 0.00 0.00 0.00 175.10 173.26 1b46 s ASP 267 N 1.92 1.60 0.55 3.32 1.01 -0.52 -4.94 116.67 119.61 1b46 s ASP 267 Ca 0.01 -1.30 -0.21 0.00 0.71 0.00 0.00 52.55 51.76 1b46 s ASP 267 Cb -0.16 0.07 -0.05 0.00 1.01 0.00 0.00 42.92 43.79 1b46 s ASP 267 CO -0.08 -0.61 1.29 -2.84 0.21 0.00 0.00 175.17 173.14 1b46 s PRO 268 N -3.94 3.14 -0.15 8.23 0.02 -1.26 -0.08 135.00 140.96 1b46 s PRO 268 Ca 0.32 2.07 -0.07 0.00 0.02 0.00 0.00 61.00 63.35 1b46 s PRO 268 Cb 0.07 -2.18 0.06 0.00 0.02 0.00 0.00 34.50 32.48 1b46 s PRO 268 CO 0.11 -1.14 0.33 -0.47 -0.33 0.00 0.00 177.00 175.51 1b46 s TYR 269 N -1.40 -0.54 -1.29 6.54 5.04 -1.26 -4.38 117.35 120.06 1b46 s TYR 269 Ca 0.73 1.14 -0.11 0.00 -2.44 0.00 0.00 57.07 56.39 1b46 s TYR 269 Cb -0.36 0.14 0.15 0.00 0.35 0.00 0.00 41.96 42.24 1b46 s TYR 269 CO 0.42 -0.35 1.84 1.28 -1.34 0.00 0.00 175.55 177.40 1b46 n LEU 270 N 4.80 6.37 -4.02 6.97 4.77 0.24 -4.50 117.00 131.63 1b46 n LEU 270 Ca -0.16 -4.53 -0.09 0.00 -0.03 0.00 0.00 56.01 51.21 1b46 n LEU 270 Cb 0.52 -1.53 -0.11 0.00 -2.33 0.00 0.00 43.42 39.97 1b46 n LEU 270 CO 0.06 1.19 -0.36 0.00 -1.33 0.00 0.00 177.39 176.95 1b46 s THR 272 N -2.21 1.14 -0.17 0.00 2.01 -0.37 -1.35 115.64 114.69 1b46 s THR 272 Ca -0.09 -0.51 -0.14 0.00 0.31 0.00 0.00 61.69 61.26 1b46 s THR 272 Cb -0.04 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1b46 s THR 272 CO -0.04 0.35 0.32 -0.47 -0.69 0.00 0.00 174.62 174.10 1b46 s TYR 273 N 0.41 3.43 0.22 4.92 6.14 -0.13 -1.67 117.35 130.67 1b46 s TYR 273 Ca -0.10 0.60 -0.13 0.00 0.64 0.00 0.00 57.07 58.08 1b46 s TYR 273 Cb -0.13 -2.40 0.00 0.00 0.42 0.00 0.00 41.96 39.85 1b46 s TYR 273 CO 0.03 0.15 0.44 1.52 0.64 0.00 0.00 175.55 178.33 1b46 s TYR 274 N 0.75 0.29 -0.30 4.97 1.13 -0.01 -0.33 117.35 123.84 1b46 s TYR 274 Ca 0.17 -0.64 -0.12 0.00 -1.41 0.00 0.00 57.07 55.07 1b46 s TYR 274 Cb -0.14 0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.86 1b46 s TYR 274 CO 0.05 -0.92 0.21 0.71 -2.51 0.00 0.00 175.55 173.09 1b46 s TYR 275 N -3.98 3.22 -0.20 -3.49 2.02 0.71 -0.73 117.35 114.90 1b46 s TYR 275 Ca 0.19 -0.03 -0.29 0.00 -0.37 0.00 0.00 57.07 56.57 1b46 s TYR 275 Cb 0.00 -2.42 0.00 0.00 -0.40 0.00 0.00 41.96 39.15 1b46 s TYR 275 CO 0.05 -0.25 1.09 -2.00 -1.57 0.00 0.00 175.55 172.87 1b46 s GLU 276 N 1.74 4.27 -0.07 -0.62 2.12 0.18 -1.28 118.70 125.04 1b46 s GLU 276 Ca 0.07 1.43 -0.13 0.00 0.36 0.00 0.00 54.97 56.70 1b46 s GLU 276 Cb -0.17 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.52 1b46 s GLU 276 CO 0.11 -0.61 0.33 0.42 -0.54 0.00 0.00 175.26 174.97 1b46 s ILE 277 N 3.12 5.20 -0.78 -3.70 1.01 -1.25 -0.38 121.20 124.43 1b46 s ILE 277 Ca 0.47 0.65 -0.26 0.00 0.00 0.00 0.00 60.65 61.51 1b46 s ILE 277 Cb -0.17 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.70 1b46 s ILE 277 CO 0.09 0.53 1.27 0.21 0.00 0.00 0.00 174.94 177.04 1b46 s ASN 278 N -0.60 6.22 0.51 3.58 3.84 -0.43 -4.60 114.94 123.46 1b46 s ASN 278 Ca 0.20 -0.67 0.34 0.00 0.21 0.00 0.00 52.86 52.94 1b46 s ASN 278 Cb -0.15 -2.55 1.59 0.00 -0.55 0.00 0.00 41.25 39.59 1b46 s ASN 278 CO 0.09 -1.74 2.02 0.78 -2.79 0.00 0.00 177.10 175.45 1b46 h ASN 279 N 9.93 0.00 0.18 -4.21 4.21 -1.17 -2.81 115.58 121.71 1b46 h ASN 279 Ca -0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.31 1b46 h ASN 279 Cb 1.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 1b46 h ASN 279 CO 1.29 0.00 -0.25 0.00 -1.29 0.00 0.00 177.43 177.18 1b46 n GLN 280 N -2.85 0.99 -3.59 0.81 6.02 -1.25 -3.73 117.38 113.78 1b46 n GLN 280 Ca -0.00 -0.62 -0.40 0.00 -0.01 0.00 0.00 57.00 55.97 1b46 n GLN 280 Cb 0.20 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.86 1b46 n GLN 280 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1b46 s LYS 281 N -2.44 3.16 0.56 -1.09 2.47 -1.06 -4.86 119.74 116.48 1b46 s LYS 281 Ca 0.25 -0.86 -0.21 0.00 -1.56 0.00 0.00 55.97 53.60 1b46 s LYS 281 Cb 0.19 -3.72 -0.04 0.00 -1.46 0.00 0.00 37.83 32.80 1b46 s LYS 281 CO 0.50 -0.56 1.31 0.00 0.16 0.00 0.00 175.35 176.77 1b46 s ALA 282 N 1.63 2.71 -1.21 3.13 0.00 -1.26 0.34 121.76 127.09 1b46 s ALA 282 Ca 0.04 1.24 0.09 0.00 0.00 0.00 0.00 51.96 53.33 1b46 s ALA 282 Cb -0.18 -3.54 0.39 0.00 0.00 0.00 0.00 23.12 19.79 1b46 s ALA 282 CO 0.08 -1.33 1.21 -0.35 0.00 0.00 0.00 175.76 175.36 1b46 n PRO 283 N -1.22 2.54 0.00 0.00 -0.04 -1.26 -4.87 135.00 130.15 1b46 n PRO 283 Ca 0.12 -1.53 0.14 0.00 -0.04 0.00 0.00 63.50 62.19 1b46 n PRO 283 Cb 0.46 -1.64 0.78 0.00 -0.04 0.00 0.00 33.50 33.06 1b46 n PRO 283 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1b46 n PHE 284 N 0.46 0.00 1.77 0.54 3.72 0.15 -2.37 117.46 121.72 1b46 n PHE 284 Ca 0.14 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.67 1b46 n PHE 284 Cb 0.56 -0.11 0.68 0.00 -0.94 0.00 0.00 39.48 39.68 1b46 n PHE 284 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1b46 n ASN 285 N -1.11 0.60 -4.59 4.37 6.94 -1.16 -4.60 115.26 115.71 1b46 n ASN 285 Ca 0.18 -1.31 -0.39 0.00 -0.02 0.00 0.00 54.58 53.04 1b46 n ASN 285 Cb 0.14 -0.01 -0.10 0.00 -2.36 0.00 0.00 39.78 37.45 1b46 n ASN 285 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1b46 s ASP 286 N -1.85 6.15 0.49 0.53 -1.08 -1.00 -4.98 116.67 114.94 1b46 s ASP 286 Ca 0.39 0.09 0.17 0.00 -0.52 0.00 0.00 52.55 52.68 1b46 s ASP 286 Cb 0.19 -2.17 1.21 0.00 -1.46 0.00 0.00 42.92 40.68 1b46 s ASP 286 CO 0.31 -0.16 2.07 1.62 0.52 0.00 0.00 175.17 179.54 1b46 h VAL 287 N 5.41 0.93 -0.78 1.11 3.04 -1.89 -0.43 116.25 123.64 1b46 h VAL 287 Ca -0.33 -0.05 -0.03 0.00 -1.01 0.00 0.00 66.70 65.28 1b46 h VAL 287 Cb 1.17 0.78 -0.04 0.00 -2.01 0.00 0.00 31.29 31.19 1b46 h VAL 287 CO 0.62 0.03 0.35 0.03 -1.01 0.00 0.00 177.57 177.58 1b46 h ARG 288 N 0.14 1.12 -0.23 4.17 3.08 -1.93 0.14 114.38 120.88 1b46 h ARG 288 Ca 0.13 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1b46 h ARG 288 Cb 0.34 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1b46 h ARG 288 CO -0.02 0.88 -0.22 0.28 -1.07 0.00 0.00 179.97 179.82 1b46 h VAL 289 N 1.11 1.32 -0.22 2.04 2.07 -1.38 -1.51 116.25 119.68 1b46 h VAL 289 Ca 0.26 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 1b46 h VAL 289 Cb 0.15 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1b46 h VAL 289 CO -0.03 0.43 0.12 0.03 0.02 0.00 0.00 177.57 178.14 1b46 h ARG 290 N 0.26 0.31 -0.76 1.57 3.08 -1.26 -2.00 114.38 115.57 1b46 h ARG 290 Ca 0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b46 h ARG 290 Cb 0.77 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.72 1b46 h ARG 290 CO 0.06 0.29 0.46 1.15 -1.07 0.00 0.00 179.97 180.86 1b46 h THR 291 N 0.25 1.21 -0.68 2.04 2.02 -0.74 -0.97 112.91 116.04 1b46 h THR 291 Ca 0.08 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.81 1b46 h THR 291 Cb 0.07 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 1b46 h THR 291 CO -0.01 0.22 0.43 0.00 0.37 0.00 0.00 175.52 176.54 1b46 h ALA 292 N 1.24 0.88 -0.49 6.16 0.00 -1.06 -0.51 119.26 125.49 1b46 h ALA 292 Ca 0.27 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1b46 h ALA 292 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1b46 h ALA 292 CO -0.05 0.23 -0.04 -0.07 0.00 0.00 0.00 179.25 179.31 1b46 h LEU 293 N 0.86 0.83 0.01 0.00 3.38 -0.83 -1.57 115.31 117.99 1b46 h LEU 293 Ca 0.27 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1b46 h LEU 293 Cb -0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1b46 h LEU 293 CO -0.09 0.91 -0.00 0.50 0.09 0.00 0.00 178.44 179.85 1b46 h LYS 294 N 0.78 -0.01 -0.17 1.13 3.64 -0.62 -2.97 116.57 118.36 1b46 h LYS 294 Ca 0.14 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 1b46 h LYS 294 Cb 0.53 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1b46 h LYS 294 CO 0.03 0.12 -0.58 -0.07 -2.27 0.00 0.00 179.45 176.68 1b46 h LEU 295 N -0.13 0.61 -0.18 5.20 3.38 -1.06 -3.17 115.31 119.96 1b46 h LEU 295 Ca -0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1b46 h LEU 295 Cb 0.13 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1b46 h LEU 295 CO 0.00 1.06 0.00 0.00 0.09 0.00 0.00 178.44 179.59 1b46 n ALA 296 N -2.52 2.06 -2.31 1.53 0.00 -0.60 -4.52 120.51 114.15 1b46 n ALA 296 Ca -0.03 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1b46 n ALA 296 Cb 0.62 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 1b46 n ALA 296 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1b46 s LEU 297 N -4.00 4.35 -0.63 0.00 0.20 -1.12 -4.74 118.68 112.75 1b46 s LEU 297 Ca 0.09 2.10 -0.19 0.00 0.69 0.00 0.00 54.13 56.83 1b46 s LEU 297 Cb 0.13 -3.58 0.11 0.00 -0.43 0.00 0.00 46.19 42.42 1b46 s LEU 297 CO 0.49 -0.58 0.76 -0.62 -0.29 0.00 0.00 176.35 176.10 1b46 s ASP 298 N 1.28 6.23 0.32 3.68 -1.08 -1.26 -4.93 116.67 120.91 1b46 s ASP 298 Ca 0.61 -1.48 0.03 0.00 -0.52 0.00 0.00 52.55 51.19 1b46 s ASP 298 Cb -0.31 -2.32 0.53 0.00 -1.46 0.00 0.00 42.92 39.36 1b46 s ASP 298 CO 0.28 -1.12 1.85 0.03 0.52 0.00 0.00 175.17 176.72 1b46 h ARG 299 N 9.15 0.60 -0.64 4.34 3.08 -1.93 -2.31 114.38 126.67 1b46 h ARG 299 Ca -0.25 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.66 1b46 h ARG 299 Cb 1.08 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 1b46 h ARG 299 CO 1.10 0.62 0.38 -0.44 -1.07 0.00 0.00 179.97 180.56 1b46 h ASP 300 N 0.57 0.78 0.49 7.04 3.32 -1.95 0.47 116.42 127.14 1b46 h ASP 300 Ca 0.12 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1b46 h ASP 300 Cb 0.35 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1b46 h ASP 300 CO 0.01 0.61 -0.24 0.40 -1.72 0.00 0.00 179.24 178.31 1b46 h ILE 301 N 0.87 0.45 0.65 0.35 2.04 -1.83 0.56 117.51 120.61 1b46 h ILE 301 Ca 0.23 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1b46 h ILE 301 Cb -0.02 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1b46 h ILE 301 CO -0.04 0.05 -0.51 0.40 0.00 0.00 0.00 178.15 178.05 1b46 h ILE 302 N -0.87 0.00 -0.31 -0.67 2.04 -1.35 0.31 117.51 116.66 1b46 h ILE 302 Ca -0.07 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1b46 h ILE 302 Cb 0.59 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1b46 h ILE 302 CO 0.11 0.00 0.02 0.58 0.00 0.00 0.00 178.15 178.87 1b46 h VAL 303 N -1.12 1.25 0.00 1.67 2.07 -0.16 0.34 116.25 120.29 1b46 h VAL 303 Ca -0.09 -0.88 -0.32 0.00 0.82 0.00 0.00 66.70 66.24 1b46 h VAL 303 Cb 0.93 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 1b46 h VAL 303 CO 0.02 0.29 -2.15 0.59 0.02 0.00 0.00 177.57 176.33 1b46 n ASN 304 N -4.59 0.25 -0.09 0.57 3.02 0.18 -1.18 115.26 113.42 1b46 n ASN 304 Ca -0.02 0.12 -0.10 0.00 -0.03 0.00 0.00 54.58 54.54 1b46 n ASN 304 Cb 0.24 0.76 -0.04 0.00 -0.61 0.00 0.00 39.78 40.13 1b46 n ASN 304 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1b46 n LYS 305 N -2.80 0.51 -0.01 3.52 4.76 0.50 -4.19 118.16 120.45 1b46 n LYS 305 Ca -0.26 0.35 -0.17 0.00 -2.87 0.00 0.00 58.31 55.36 1b46 n LYS 305 Cb 1.08 -1.55 -0.09 0.00 -1.84 0.00 0.00 35.03 32.63 1b46 n LYS 305 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1b46 h VAL 306 N -1.00 1.36 0.00 -0.18 -1.51 -0.53 -3.40 116.25 110.99 1b46 h VAL 306 Ca -0.09 -1.94 -0.12 0.00 -1.23 0.00 0.00 66.70 63.32 1b46 h VAL 306 Cb 0.90 2.28 -0.02 0.00 -2.13 0.00 0.00 31.29 32.32 1b46 h VAL 306 CO -0.05 0.59 -1.19 1.17 -1.23 0.00 0.00 177.57 176.85 1b46 n LYS 307 N -4.15 0.52 -3.88 5.19 4.81 0.10 -4.99 118.16 115.76 1b46 n LYS 307 Ca -0.09 0.36 -0.35 0.00 -0.87 0.00 0.00 58.31 57.36 1b46 n LYS 307 Cb 0.66 -1.56 0.02 0.00 0.02 0.00 0.00 35.03 34.17 1b46 n LYS 307 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1b46 n ASN 308 N -4.46 -4.72 0.00 3.14 4.05 -0.33 -4.91 115.26 108.03 1b46 n ASN 308 Ca -0.22 -1.10 0.00 0.00 0.45 0.00 0.00 54.58 53.71 1b46 n ASN 308 Cb 0.54 -2.09 0.00 0.00 1.23 0.00 0.00 39.78 39.46 1b46 n ASN 308 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1b46 n GLN 309 N -4.00 2.23 0.00 1.20 6.02 -1.26 -4.94 117.38 116.63 1b46 n GLN 309 Ca -0.17 -1.28 0.00 0.00 -0.01 0.00 0.00 57.00 55.54 1b46 n GLN 309 Cb 0.61 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.91 1b46 n GLN 309 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b46 n GLY 310 N -0.39 0.89 3.80 1.08 0.00 -1.26 -4.96 105.19 104.36 1b46 n GLY 310 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1b46 n GLY 310 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b46 s ASP 311 N -2.07 7.01 -0.09 1.61 1.01 -1.26 -4.75 116.67 118.13 1b46 s ASP 311 Ca 0.00 1.78 -0.03 0.00 0.71 0.00 0.00 52.55 55.00 1b46 s ASP 311 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1b46 s ASP 311 CO 0.00 -0.31 0.04 -0.76 0.21 0.00 0.00 175.17 174.35 1b46 s LEU 312 N -2.82 3.81 0.31 1.23 1.02 -1.13 -4.88 118.68 116.22 1b46 s LEU 312 Ca 0.58 0.24 -0.30 0.00 0.02 0.00 0.00 54.13 54.67 1b46 s LEU 312 Cb -0.13 -1.90 -0.11 0.00 0.02 0.00 0.00 46.19 44.06 1b46 s LEU 312 CO 0.18 0.38 1.57 -2.84 0.02 0.00 0.00 176.35 175.66 1b46 s PRO 313 N -0.95 4.13 -0.02 1.29 0.02 -1.26 -0.01 135.00 138.20 1b46 s PRO 313 Ca 0.14 2.56 -0.00 0.00 0.02 0.00 0.00 61.00 63.72 1b46 s PRO 313 Cb -0.12 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 1b46 s PRO 313 CO 0.03 -0.60 0.05 0.00 -0.33 0.00 0.00 177.00 176.14 1b46 s ALA 314 N -0.22 3.46 0.00 -1.55 0.00 -0.44 -4.72 121.76 118.29 1b46 s ALA 314 Ca 0.61 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1b46 s ALA 314 Cb -0.47 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1b46 s ALA 314 CO 0.51 0.66 0.51 2.48 0.00 0.00 0.00 175.76 179.92 1b46 n TYR 315 N 1.39 0.00 -4.28 0.00 0.18 -1.26 -4.39 117.16 108.79 1b46 n TYR 315 Ca -0.14 -0.13 -0.18 0.00 1.88 0.00 0.00 57.90 59.33 1b46 n TYR 315 Cb 0.53 -0.01 -0.09 0.00 -0.38 0.00 0.00 39.34 39.39 1b46 n TYR 315 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1b46 s SER 316 N -0.26 1.28 -0.15 9.48 1.04 -1.26 -4.86 113.70 118.98 1b46 s SER 316 Ca 0.00 -1.61 -0.10 0.00 0.48 0.00 0.00 55.95 54.72 1b46 s SER 316 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1b46 s SER 316 CO 0.00 -0.96 -0.17 0.00 0.98 0.00 0.00 173.24 173.09 1b46 n TYR 317 N -0.53 0.88 -1.95 5.02 9.36 -1.26 -4.77 117.16 123.91 1b46 n TYR 317 Ca 0.04 0.38 -0.42 0.00 3.32 0.00 0.00 57.90 61.22 1b46 n TYR 317 Cb 0.64 -0.77 -0.03 0.00 -0.63 0.00 0.00 39.34 38.55 1b46 n TYR 317 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1b46 s THR 318 N -2.29 2.88 0.37 2.97 2.01 -1.26 -4.70 115.64 115.61 1b46 s THR 318 Ca -0.16 0.50 -0.28 0.00 0.31 0.00 0.00 61.69 62.06 1b46 s THR 318 Cb 0.02 -3.32 -0.10 0.00 0.01 0.00 0.00 72.50 69.11 1b46 s THR 318 CO 0.25 0.02 1.40 -2.84 -0.69 0.00 0.00 174.62 172.76 1b46 s PRO 319 N 1.89 4.17 0.48 4.92 0.02 -1.26 -4.89 135.00 140.32 1b46 s PRO 319 Ca 0.71 2.41 0.32 0.00 0.02 0.00 0.00 61.00 64.46 1b46 s PRO 319 Cb -0.41 -2.97 1.53 0.00 0.02 0.00 0.00 34.50 32.66 1b46 s PRO 319 CO 0.32 -0.42 1.97 -1.00 -0.33 0.00 0.00 177.00 177.54 1b46 h PRO 320 N 3.08 0.00 -0.35 5.54 0.13 -1.93 -1.71 132.00 136.75 1b46 h PRO 320 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1b46 h PRO 320 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1b46 h PRO 320 CO 0.64 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 180.89 1b46 n TYR 321 N -2.75 0.46 -1.68 1.56 4.11 -1.26 -4.64 117.16 112.96 1b46 n TYR 321 Ca -0.00 -0.23 -0.39 0.00 -0.00 0.00 0.00 57.90 57.27 1b46 n TYR 321 Cb 0.18 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.55 1b46 n TYR 321 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 1b46 n THR 322 N 0.89 3.31 -1.88 -3.48 -1.04 -0.64 -4.88 114.28 106.55 1b46 n THR 322 Ca 0.17 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.26 1b46 n THR 322 Cb 0.44 -1.44 -0.03 0.00 -1.82 0.00 0.00 70.33 67.49 1b46 n THR 322 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1b46 s ASP 323 N -0.88 6.21 0.00 8.00 -1.08 -1.26 -1.44 116.67 126.21 1b46 s ASP 323 Ca 0.69 1.99 0.00 0.00 -0.52 0.00 0.00 52.55 54.71 1b46 s ASP 323 Cb -0.46 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.48 1b46 s ASP 323 CO 0.52 -1.34 0.00 0.61 0.52 0.00 0.00 175.17 175.48 1b46 n GLY 324 N 4.84 0.51 3.67 2.66 0.00 -1.26 -4.02 105.19 111.59 1b46 n GLY 324 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1b46 n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b46 s ALA 325 N -2.00 3.51 -0.45 4.61 0.00 -0.52 -4.68 121.76 122.23 1b46 s ALA 325 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.79 1b46 s ALA 325 Cb 0.00 -2.89 0.25 0.00 0.00 0.00 0.00 23.12 20.48 1b46 s ALA 325 CO 0.00 -0.40 0.57 1.63 0.00 0.00 0.00 175.76 177.55 1b46 n LYS 326 N 4.66 1.10 -2.88 0.00 5.02 -1.26 -4.84 118.16 119.96 1b46 n LYS 326 Ca -0.03 -3.54 -0.29 0.00 -2.02 0.00 0.00 58.31 52.43 1b46 n LYS 326 Cb 0.50 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 1b46 n LYS 326 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1b46 s LEU 327 N -1.44 3.82 -0.26 -0.35 1.43 -1.26 -4.65 118.68 115.97 1b46 s LEU 327 Ca 0.36 1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 54.34 1b46 s LEU 327 Cb 0.16 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1b46 s LEU 327 CO -0.09 -0.40 0.38 -0.69 0.23 0.00 0.00 176.35 175.78 1b46 s VAL 328 N -2.40 5.17 -0.05 -1.59 1.01 -1.26 -5.04 120.40 116.25 1b46 s VAL 328 Ca 0.49 0.60 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 1b46 s VAL 328 Cb -0.10 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1b46 s VAL 328 CO 0.34 0.16 1.33 -0.70 0.00 0.00 0.00 175.10 176.24 1b46 s GLU 329 N 2.00 4.29 0.58 2.72 2.12 -1.26 -4.96 118.70 124.19 1b46 s GLU 329 Ca 0.16 1.84 -0.16 0.00 0.36 0.00 0.00 54.97 57.16 1b46 s GLU 329 Cb -0.16 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 1b46 s GLU 329 CO 0.10 -0.57 1.06 -1.25 -0.54 0.00 0.00 175.26 174.05 1b46 s PRO 330 N 2.60 3.36 0.37 4.30 0.04 -1.26 -4.95 135.00 139.45 1b46 s PRO 330 Ca 0.61 1.24 0.04 0.00 0.04 0.00 0.00 61.00 62.92 1b46 s PRO 330 Cb -0.28 -2.04 0.69 0.00 0.04 0.00 0.00 34.50 32.92 1b46 s PRO 330 CO 0.23 -0.78 2.02 0.93 0.04 0.00 0.00 177.00 179.44 1b46 h GLU 331 N 0.58 0.74 -0.41 4.56 4.39 -2.01 -2.36 114.58 120.06 1b46 h GLU 331 Ca -0.47 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.22 1b46 h GLU 331 Cb 1.22 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 1b46 h GLU 331 CO 0.57 0.50 0.28 0.11 -1.16 0.00 0.00 179.01 179.31 1b46 h TRP 332 N 0.76 0.37 0.00 4.33 5.08 -1.98 -2.03 115.95 122.48 1b46 h TRP 332 Ca 0.20 0.01 -0.09 0.00 1.08 0.00 0.00 58.89 60.09 1b46 h TRP 332 Cb -0.07 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 25.96 1b46 h TRP 332 CO 0.00 0.21 -0.44 0.35 -1.28 0.00 0.00 178.44 177.29 1b46 h PHE 333 N 0.38 0.00 0.00 0.12 3.57 -1.80 -3.00 116.94 116.21 1b46 h PHE 333 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1b46 h PHE 333 Cb 0.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1b46 h PHE 333 CO -0.00 0.44 -0.49 0.87 -2.23 0.00 0.00 178.31 176.89 1b46 h LYS 334 N 0.00 0.00 -7.15 1.11 1.57 -1.46 -3.47 116.57 107.17 1b46 h LYS 334 Ca -0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.35 1b46 h LYS 334 Cb 0.86 0.00 0.21 0.00 0.08 0.00 0.00 32.23 33.38 1b46 h LYS 334 CO 0.06 0.00 -0.00 -1.58 -0.57 0.00 0.00 179.45 177.36 1b46 s TRP 335 N -3.24 1.17 0.59 -1.35 0.51 -1.11 -5.01 118.94 110.50 1b46 s TRP 335 Ca 0.05 1.06 -0.13 0.00 -2.12 0.00 0.00 56.10 54.96 1b46 s TRP 335 Cb 0.10 -3.08 -0.05 0.00 -0.81 0.00 0.00 33.47 29.62 1b46 s TRP 335 CO 0.71 -4.00 1.01 -1.54 -0.51 0.00 0.00 176.95 172.62 1b46 s SER 336 N -2.66 6.35 0.19 2.95 1.04 -1.26 -4.91 113.70 115.39 1b46 s SER 336 Ca 0.68 1.45 -0.10 0.00 0.48 0.00 0.00 55.95 58.47 1b46 s SER 336 Cb -0.23 -2.48 0.10 0.00 0.10 0.00 0.00 66.02 63.51 1b46 s SER 336 CO 0.64 -0.78 1.73 -0.61 0.98 0.00 0.00 173.24 175.20 1b46 h GLN 337 N 0.06 1.01 -0.80 4.02 5.75 -1.95 -1.64 115.11 121.56 1b46 h GLN 337 Ca -0.45 -0.20 0.15 0.00 -0.15 0.00 0.00 58.65 58.00 1b46 h GLN 337 Cb 1.19 -0.16 -0.10 0.00 1.07 0.00 0.00 27.48 29.49 1b46 h GLN 337 CO 0.62 0.87 0.36 0.37 -2.65 0.00 0.00 178.83 178.40 1b46 h GLN 338 N 0.95 0.50 -0.21 1.69 4.15 -1.98 0.58 115.11 120.79 1b46 h GLN 338 Ca 0.22 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.42 1b46 h GLN 338 Cb 0.25 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 1b46 h GLN 338 CO -0.01 0.33 -0.61 -0.22 -1.93 0.00 0.00 178.83 176.39 1b46 h LYS 339 N 0.52 0.72 -0.43 1.69 3.64 -1.83 -1.63 116.57 119.25 1b46 h LYS 339 Ca 0.44 -0.49 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1b46 h LYS 339 Cb 0.66 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1b46 h LYS 339 CO -0.39 1.11 0.27 0.00 -2.27 0.00 0.00 179.45 178.17 1b46 h ARG 340 N 0.54 0.53 -0.32 1.90 3.08 -0.14 -2.14 114.38 117.83 1b46 h ARG 340 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1b46 h ARG 340 Cb 1.20 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1b46 h ARG 340 CO 0.12 0.35 0.21 -0.91 -1.07 0.00 0.00 179.97 178.67 1b46 h ASN 341 N 0.55 0.37 -0.54 7.04 2.35 0.24 -1.63 115.58 123.96 1b46 h ASN 341 Ca 0.16 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1b46 h ASN 341 Cb -0.03 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1b46 h ASN 341 CO -0.06 0.28 0.14 -0.33 -1.65 0.00 0.00 177.43 175.82 1b46 h GLU 342 N 0.43 0.91 -0.70 0.81 5.08 -1.19 -0.99 114.58 118.93 1b46 h GLU 342 Ca 0.12 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1b46 h GLU 342 Cb -0.04 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1b46 h GLU 342 CO -0.02 0.81 0.19 1.49 -1.00 0.00 0.00 179.01 180.48 1b46 h GLU 343 N 0.87 1.10 -0.18 2.33 4.57 -1.13 -1.90 114.58 120.24 1b46 h GLU 343 Ca 0.19 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1b46 h GLU 343 Cb 0.31 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1b46 h GLU 343 CO -0.00 0.95 0.07 0.00 -1.18 0.00 0.00 179.01 178.85 1b46 h ALA 344 N 1.15 0.24 -0.61 2.92 0.00 -0.91 -1.50 119.26 120.55 1b46 h ALA 344 Ca 0.22 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1b46 h ALA 344 Cb 0.34 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1b46 h ALA 344 CO -0.00 -0.15 0.35 0.87 0.00 0.00 0.00 179.25 180.31 1b46 h LYS 345 N 0.13 0.65 -0.70 0.00 1.57 -1.08 -0.74 116.57 116.40 1b46 h LYS 345 Ca 0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1b46 h LYS 345 Cb 0.20 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1b46 h LYS 345 CO -0.00 0.43 0.38 -0.22 -0.57 0.00 0.00 179.45 179.47 1b46 h LYS 346 N 0.67 0.98 -0.36 3.15 3.64 -1.22 0.89 116.57 124.33 1b46 h LYS 346 Ca 0.26 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 1b46 h LYS 346 Cb 0.11 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1b46 h LYS 346 CO -0.14 0.74 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.43 1b46 h LEU 347 N 0.97 0.86 -0.38 5.20 3.38 -0.90 -1.14 115.31 123.30 1b46 h LEU 347 Ca 0.25 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1b46 h LEU 347 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1b46 h LEU 347 CO -0.04 1.12 0.16 -0.07 0.09 0.00 0.00 178.44 179.70 1b46 h LEU 348 N 0.61 0.52 -1.29 1.67 3.38 -0.91 0.03 115.31 119.32 1b46 h LEU 348 Ca 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1b46 h LEU 348 Cb 0.85 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1b46 h LEU 348 CO 0.07 0.54 0.30 0.00 0.09 0.00 0.00 178.44 179.44 1b46 h ALA 349 N 1.00 1.46 0.00 1.53 0.00 -0.75 -0.21 119.26 122.29 1b46 h ALA 349 Ca 0.13 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1b46 h ALA 349 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1b46 h ALA 349 CO -0.01 0.44 -0.32 0.93 0.00 0.00 0.00 179.25 180.30 1b46 h GLU 350 N 0.79 0.00 0.00 0.00 5.08 -0.60 -2.77 114.58 117.08 1b46 h GLU 350 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1b46 h GLU 350 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1b46 h GLU 350 CO -0.03 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.29 1b46 n ALA 351 N -2.45 1.91 0.00 3.43 0.00 -0.06 -4.87 120.51 118.47 1b46 n ALA 351 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1b46 n ALA 351 Cb 0.37 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1b46 n ALA 351 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b46 n GLY 352 N 0.49 1.12 3.81 0.00 0.00 -1.04 -5.08 105.19 104.48 1b46 n GLY 352 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1b46 n GLY 352 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b46 s PHE 353 N -2.00 3.65 0.29 1.61 0.08 -1.09 -4.99 117.98 115.53 1b46 s PHE 353 Ca 0.00 0.90 0.03 0.00 0.12 0.00 0.00 56.93 57.98 1b46 s PHE 353 Cb 0.00 -2.32 -0.01 0.00 -0.57 0.00 0.00 43.02 40.12 1b46 s PHE 353 CO 0.00 0.52 0.11 0.25 -0.10 0.00 0.00 175.22 176.00 1b46 n THR 354 N 2.37 0.00 0.13 0.64 -2.24 -1.01 -4.33 114.28 109.84 1b46 n THR 354 Ca -0.13 -1.72 0.01 0.00 -2.27 0.00 0.00 64.05 59.94 1b46 n THR 354 Cb 0.52 0.63 0.07 0.00 -2.10 0.00 0.00 70.33 69.46 1b46 n THR 354 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b46 h ALA 355 N 1.51 0.69 0.05 6.98 0.00 -1.98 -2.43 119.26 124.08 1b46 h ALA 355 Ca -0.22 -0.54 -0.23 0.00 0.00 0.00 0.00 54.91 53.92 1b46 h ALA 355 Cb 0.87 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1b46 h ALA 355 CO 0.35 0.74 -1.06 0.22 0.00 0.00 0.00 179.25 179.51 1b46 h ASP 356 N 0.00 0.20 -2.42 0.00 3.58 -2.01 -3.38 116.42 112.39 1b46 h ASP 356 Ca -0.01 -0.20 -0.59 0.00 0.42 0.00 0.00 57.03 56.65 1b46 h ASP 356 Cb 1.34 -0.06 -0.40 0.00 1.72 0.00 0.00 39.33 41.93 1b46 h ASP 356 CO 0.08 1.12 -0.80 0.29 -2.88 0.00 0.00 179.24 177.05 1b46 n LYS 357 N -3.48 1.36 -1.68 0.28 5.02 -1.19 -5.11 118.16 113.35 1b46 n LYS 357 Ca -0.04 -3.93 -0.30 0.00 -2.02 0.00 0.00 58.31 52.03 1b46 n LYS 357 Cb 0.94 -1.88 0.08 0.00 -0.02 0.00 0.00 35.03 34.16 1b46 n LYS 357 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1b46 s PRO 358 N -1.31 2.14 -0.13 1.97 0.04 -0.92 -2.40 135.00 134.39 1b46 s PRO 358 Ca 0.33 0.47 -0.28 0.00 0.04 0.00 0.00 61.00 61.56 1b46 s PRO 358 Cb 0.08 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1b46 s PRO 358 CO -0.12 -1.54 0.95 -1.17 0.04 0.00 0.00 177.00 175.16 1b46 s LEU 359 N -5.68 4.21 -0.06 -3.56 2.96 -1.26 -4.93 118.68 110.37 1b46 s LEU 359 Ca 0.61 1.41 0.01 0.00 -0.22 0.00 0.00 54.13 55.93 1b46 s LEU 359 Cb -0.13 -3.45 0.02 0.00 0.50 0.00 0.00 46.19 43.13 1b46 s LEU 359 CO 0.53 -0.44 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.15 1b46 s THR 360 N 2.12 0.80 0.28 3.68 2.01 -1.26 -0.96 115.64 122.31 1b46 s THR 360 Ca 0.45 -0.26 -0.21 0.00 0.31 0.00 0.00 61.69 61.98 1b46 s THR 360 Cb -0.17 -0.79 0.03 0.00 0.01 0.00 0.00 72.50 71.58 1b46 s THR 360 CO 0.15 0.29 0.76 0.72 -0.69 0.00 0.00 174.62 175.85 1b46 s PHE 361 N 0.97 -0.15 0.18 4.92 -0.12 -0.85 -5.01 117.98 117.92 1b46 s PHE 361 Ca -0.10 -0.32 -0.14 0.00 -0.05 0.00 0.00 56.93 56.32 1b46 s PHE 361 Cb -0.15 0.72 -0.07 0.00 -0.63 0.00 0.00 43.02 42.89 1b46 s PHE 361 CO 0.00 -1.22 0.57 -0.51 -0.05 0.00 0.00 175.22 174.01 1b46 s ASP 362 N -2.95 6.80 -0.26 1.98 1.01 -1.26 -1.00 116.67 121.00 1b46 s ASP 362 Ca 0.12 1.09 0.01 0.00 0.71 0.00 0.00 52.55 54.48 1b46 s ASP 362 Cb -0.05 -2.29 0.07 0.00 1.01 0.00 0.00 42.92 41.65 1b46 s ASP 362 CO 0.07 0.05 -0.04 -0.22 0.21 0.00 0.00 175.17 175.24 1b46 s LEU 363 N -2.18 2.98 -0.04 1.23 0.20 -0.25 -2.55 118.68 118.07 1b46 s LEU 363 Ca 0.41 -1.38 -0.15 0.00 0.69 0.00 0.00 54.13 53.70 1b46 s LEU 363 Cb -0.14 -1.27 -0.05 0.00 -0.43 0.00 0.00 46.19 44.29 1b46 s LEU 363 CO 0.20 -0.26 0.40 -0.22 -0.29 0.00 0.00 176.35 176.17 1b46 s LEU 364 N 1.30 4.41 0.02 -0.68 2.96 -0.29 -0.72 118.68 125.68 1b46 s LEU 364 Ca -0.03 0.87 -0.09 0.00 -0.22 0.00 0.00 54.13 54.67 1b46 s LEU 364 Cb -0.19 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 43.94 1b46 s LEU 364 CO -0.08 0.25 0.17 -0.72 -1.32 0.00 0.00 176.35 174.65 1b46 s TYR 365 N -0.61 0.04 0.21 5.38 1.13 -0.25 -0.26 117.35 123.00 1b46 s TYR 365 Ca 0.23 -0.19 -0.29 0.00 -1.41 0.00 0.00 57.07 55.42 1b46 s TYR 365 Cb -0.16 -0.04 -0.08 0.00 -1.10 0.00 0.00 41.96 40.58 1b46 s TYR 365 CO 0.12 -0.36 0.89 0.54 -2.51 0.00 0.00 175.55 174.23 1b46 s ASN 366 N -1.71 7.56 -0.34 -0.18 4.22 -1.26 -1.66 114.94 121.57 1b46 s ASN 366 Ca -0.10 1.84 -0.43 0.00 -2.14 0.00 0.00 52.86 52.03 1b46 s ASN 366 Cb -0.04 -2.57 -0.19 0.00 1.28 0.00 0.00 41.25 39.72 1b46 s ASN 366 CO -0.01 0.16 1.38 0.41 -2.04 0.00 0.00 177.10 177.00 1b46 n THR 367 N 1.60 0.00 -3.65 0.54 -1.04 -0.44 -4.79 114.28 106.51 1b46 n THR 367 Ca -0.03 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.96 1b46 n THR 367 Cb 0.48 -0.34 -0.07 0.00 -1.82 0.00 0.00 70.33 68.58 1b46 n THR 367 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1b46 s SER 368 N 2.02 -0.03 0.10 8.00 0.15 -1.26 -4.77 113.70 117.92 1b46 s SER 368 Ca 0.96 0.06 -0.16 0.00 0.70 0.00 0.00 55.95 57.51 1b46 s SER 368 Cb -1.36 0.06 -0.05 0.00 -1.71 0.00 0.00 66.02 62.96 1b46 s SER 368 CO 0.71 -0.01 1.54 0.44 1.20 0.00 0.00 173.24 177.12 1b46 h ASP 369 N 2.95 0.57 0.12 5.45 3.32 -1.92 -1.72 116.42 125.20 1b46 h ASP 369 Ca -0.25 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.50 1b46 h ASP 369 Cb 1.20 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1b46 h ASP 369 CO 0.19 0.75 -0.13 0.25 -1.72 0.00 0.00 179.24 178.58 1b46 h LEU 370 N 0.38 -0.33 -0.69 1.55 5.85 -1.91 -1.81 115.31 118.36 1b46 h LEU 370 Ca 0.09 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 1b46 h LEU 370 Cb 0.46 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1b46 h LEU 370 CO 0.02 -0.19 -0.22 0.45 -0.34 0.00 0.00 178.44 178.16 1b46 h HIS 371 N -0.27 0.89 -0.07 1.25 3.86 -1.86 -0.98 115.15 117.97 1b46 h HIS 371 Ca 0.01 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 1b46 h HIS 371 Cb 0.27 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1b46 h HIS 371 CO -0.13 0.93 0.02 -0.22 0.86 0.00 0.00 177.93 179.39 1b46 h LYS 372 N 0.69 0.11 -0.68 2.45 3.64 -1.25 0.64 116.57 122.16 1b46 h LYS 372 Ca 0.10 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1b46 h LYS 372 Cb 0.73 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 1b46 h LYS 372 CO 0.06 0.27 0.44 0.87 -2.27 0.00 0.00 179.45 178.82 1b46 h LYS 373 N -0.07 0.87 -0.24 1.90 1.57 -1.19 0.12 116.57 119.53 1b46 h LYS 373 Ca 0.02 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1b46 h LYS 373 Cb 0.20 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1b46 h LYS 373 CO -0.00 0.58 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.10 1b46 h LEU 374 N 0.90 0.49 -0.58 2.94 3.38 -1.13 -1.53 115.31 119.78 1b46 h LEU 374 Ca 0.25 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1b46 h LEU 374 Cb -0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1b46 h LEU 374 CO -0.06 0.77 -0.61 0.00 0.09 0.00 0.00 178.44 178.62 1b46 h ALA 375 N 1.27 0.77 -0.54 1.53 0.00 0.00 -0.37 119.26 121.93 1b46 h ALA 375 Ca 0.06 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 1b46 h ALA 375 Cb 0.72 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1b46 h ALA 375 CO 0.06 0.73 -0.10 0.82 0.00 0.00 0.00 179.25 180.75 1b46 h ILE 376 N 0.25 1.27 -0.52 0.00 2.04 -0.62 0.80 117.51 120.72 1b46 h ILE 376 Ca -0.01 -1.25 -0.07 0.00 1.00 0.00 0.00 64.86 64.53 1b46 h ILE 376 Cb 1.14 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1b46 h ILE 376 CO 0.10 0.44 0.07 0.00 0.00 0.00 0.00 178.15 178.76 1b46 h ALA 377 N 0.93 0.69 -0.24 1.87 0.00 -1.00 -1.66 119.26 119.84 1b46 h ALA 377 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1b46 h ALA 377 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1b46 h ALA 377 CO 0.05 0.44 0.03 0.28 0.00 0.00 0.00 179.25 180.05 1b46 h VAL 378 N 0.75 1.23 -0.48 0.00 2.07 -0.96 0.11 116.25 118.97 1b46 h VAL 378 Ca 0.15 -0.79 0.08 0.00 0.82 0.00 0.00 66.70 66.96 1b46 h VAL 378 Cb 0.43 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1b46 h VAL 378 CO 0.01 0.25 0.11 0.00 0.02 0.00 0.00 177.57 177.97 1b46 h ALA 379 N 0.84 0.54 0.08 1.67 0.00 -0.77 0.98 119.26 122.61 1b46 h ALA 379 Ca 0.07 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1b46 h ALA 379 Cb 0.34 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1b46 h ALA 379 CO 0.01 -0.29 -0.05 1.03 0.00 0.00 0.00 179.25 179.95 1b46 h SER 380 N 0.26 -0.13 -0.85 0.00 0.87 -1.10 -0.40 113.55 112.20 1b46 h SER 380 Ca 0.24 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.88 1b46 h SER 380 Cb 0.29 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.23 1b46 h SER 380 CO -0.29 -0.09 0.51 0.40 -0.53 0.00 0.00 176.83 176.83 1b46 h ILE 381 N -0.13 0.98 -0.03 2.23 2.04 -0.46 0.11 117.51 122.25 1b46 h ILE 381 Ca -0.01 -0.31 -0.14 0.00 1.00 0.00 0.00 64.86 65.41 1b46 h ILE 381 Cb 0.11 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 1b46 h ILE 381 CO 0.01 0.16 -0.61 -0.50 0.00 0.00 0.00 178.15 177.21 1b46 h TRP 382 N 0.89 0.12 0.23 1.37 6.55 -0.64 0.73 115.95 125.21 1b46 h TRP 382 Ca 0.39 -0.05 -0.01 0.00 0.95 0.00 0.00 58.89 60.17 1b46 h TRP 382 Cb 0.26 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.54 1b46 h TRP 382 CO -0.04 0.68 -0.11 -0.22 -1.05 0.00 0.00 178.44 177.70 1b46 h LYS 383 N 0.07 -0.30 0.26 0.49 1.63 -0.14 -0.51 116.57 118.07 1b46 h LYS 383 Ca -0.01 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1b46 h LYS 383 Cb 1.09 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1b46 h LYS 383 CO 0.09 0.03 -0.12 0.87 -3.45 0.00 0.00 179.45 176.87 1b46 h LYS 384 N -0.67 -0.33 0.00 1.90 1.57 -0.81 0.19 116.57 118.41 1b46 h LYS 384 Ca -0.03 0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1b46 h LYS 384 Cb 0.47 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1b46 h LYS 384 CO 0.05 -0.16 -0.59 -0.91 -0.57 0.00 0.00 179.45 177.28 1b46 h ASN 385 N -0.44 0.00 0.00 0.86 2.35 -0.96 -3.39 115.58 114.00 1b46 h ASN 385 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1b46 h ASN 385 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1b46 h ASN 385 CO 0.06 0.59 0.00 -0.11 -1.65 0.00 0.00 177.43 176.31 1b46 n LEU 386 N -3.27 0.31 -1.20 1.61 7.94 -0.25 -4.81 117.00 117.32 1b46 n LEU 386 Ca 0.01 -0.39 -0.11 0.00 -1.11 0.00 0.00 56.01 54.41 1b46 n LEU 386 Cb 0.76 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.69 1b46 n LEU 386 CO 0.41 0.08 -0.14 0.61 -1.11 0.00 0.00 177.39 177.24 1b46 n GLY 387 N 0.17 0.24 3.87 -3.96 0.00 0.66 -4.95 105.19 101.22 1b46 n GLY 387 Ca 0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1b46 n GLY 387 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b46 s VAL 388 N -2.54 5.08 -0.11 1.61 -7.23 -1.06 -4.51 120.40 111.64 1b46 s VAL 388 Ca 0.00 -0.54 -0.01 0.00 -1.81 0.00 0.00 61.98 59.61 1b46 s VAL 388 Cb 0.00 -3.48 -0.03 0.00 0.56 0.00 0.00 36.38 33.44 1b46 s VAL 388 CO 0.00 0.12 -0.05 0.20 -0.31 0.00 0.00 175.10 175.06 1b46 s ASN 389 N -2.51 4.77 0.01 4.85 0.01 -0.14 -3.54 114.94 118.40 1b46 s ASN 389 Ca 0.33 -0.05 0.06 0.00 -0.71 0.00 0.00 52.86 52.49 1b46 s ASN 389 Cb -0.13 -1.47 -0.02 0.00 0.41 0.00 0.00 41.25 40.05 1b46 s ASN 389 CO 0.26 0.28 -0.18 -0.69 -1.51 0.00 0.00 177.10 175.26 1b46 s VAL 390 N -0.32 1.44 -0.29 1.60 1.01 -1.26 -2.01 120.40 120.57 1b46 s VAL 390 Ca 0.05 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1b46 s VAL 390 Cb -0.12 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.05 1b46 s VAL 390 CO 0.02 0.29 0.03 0.20 0.00 0.00 0.00 175.10 175.64 1b46 s ASN 391 N -0.74 4.91 0.36 3.32 0.02 -0.17 -4.94 114.94 117.70 1b46 s ASN 391 Ca 0.06 -0.97 -0.27 0.00 -1.02 0.00 0.00 52.86 50.66 1b46 s ASN 391 Cb -0.08 -1.78 -0.09 0.00 0.02 0.00 0.00 41.25 39.32 1b46 s ASN 391 CO 0.00 -0.22 1.18 -0.76 0.02 0.00 0.00 177.10 177.32 1b46 s LEU 392 N 1.38 4.31 -0.03 0.60 1.02 -1.26 -1.09 118.68 123.61 1b46 s LEU 392 Ca -0.01 2.38 0.00 0.00 0.02 0.00 0.00 54.13 56.53 1b46 s LEU 392 Cb -0.18 -3.88 0.03 0.00 0.02 0.00 0.00 46.19 42.18 1b46 s LEU 392 CO -0.00 -0.53 0.00 -1.61 0.02 0.00 0.00 176.35 174.23 1b46 s GLU 393 N -2.04 0.31 -0.01 1.70 2.02 0.10 -4.88 118.70 115.90 1b46 s GLU 393 Ca 0.53 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.60 1b46 s GLU 393 Cb -0.32 -0.50 -0.04 0.00 0.10 0.00 0.00 34.13 33.37 1b46 s GLU 393 CO 0.41 -0.14 0.05 0.54 0.02 0.00 0.00 175.26 176.14 1b46 s ASN 394 N 1.07 5.46 0.05 -0.19 4.22 -1.26 -1.09 114.94 123.20 1b46 s ASN 394 Ca -0.09 0.10 0.01 0.00 -2.14 0.00 0.00 52.86 50.73 1b46 s ASN 394 Cb -0.13 -1.52 -0.03 0.00 1.28 0.00 0.00 41.25 40.84 1b46 s ASN 394 CO -0.02 0.29 -0.05 -1.10 -2.04 0.00 0.00 177.10 174.18 1b46 s GLN 395 N -1.60 0.52 0.74 3.55 -0.21 -0.67 -4.90 119.66 117.09 1b46 s GLN 395 Ca 0.21 -0.90 -0.12 0.00 0.02 0.00 0.00 55.36 54.56 1b46 s GLN 395 Cb -0.12 -0.02 0.04 0.00 1.00 0.00 0.00 33.01 33.91 1b46 s GLN 395 CO 0.12 -0.03 1.11 -1.21 -2.12 0.00 0.00 175.29 173.16 1b46 s GLU 396 N -2.43 2.34 0.17 2.91 0.41 -1.26 -1.32 118.70 119.51 1b46 s GLU 396 Ca -0.05 1.33 -0.23 0.00 -0.41 0.00 0.00 54.97 55.62 1b46 s GLU 396 Cb -0.04 -1.90 0.06 0.00 -1.78 0.00 0.00 34.13 30.48 1b46 s GLU 396 CO -0.03 -1.60 1.60 2.35 -0.49 0.00 0.00 175.26 177.08 1b46 h TRP 397 N -0.69 -0.92 -0.62 1.61 2.91 -1.91 0.11 115.95 116.43 1b46 h TRP 397 Ca -0.45 0.06 0.01 0.00 1.13 0.00 0.00 58.89 59.64 1b46 h TRP 397 Cb 1.25 0.47 -0.03 0.00 -0.51 0.00 0.00 29.16 30.33 1b46 h TRP 397 CO 0.55 -0.39 0.41 -0.22 -1.03 0.00 0.00 178.44 177.76 1b46 h LYS 398 N -0.25 0.81 -0.26 2.65 3.64 -1.92 -1.55 116.57 119.69 1b46 h LYS 398 Ca 0.18 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1b46 h LYS 398 Cb 0.54 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1b46 h LYS 398 CO -0.55 0.54 0.07 1.15 -2.27 0.00 0.00 179.45 178.39 1b46 h THR 399 N 0.83 1.20 -0.54 1.00 2.02 -1.73 -2.58 112.91 113.11 1b46 h THR 399 Ca 0.23 -0.66 0.11 0.00 0.77 0.00 0.00 66.41 66.86 1b46 h THR 399 Cb -0.09 1.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.38 1b46 h THR 399 CO -0.05 0.21 0.03 0.15 0.37 0.00 0.00 175.52 176.23 1b46 h PHE 400 N 0.25 0.03 -0.67 3.16 3.57 -0.62 0.18 116.94 122.83 1b46 h PHE 400 Ca 0.08 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 1b46 h PHE 400 Cb 0.26 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1b46 h PHE 400 CO 0.01 -0.10 0.16 -0.07 -2.23 0.00 0.00 178.31 176.07 1b46 h LEU 401 N 0.15 1.02 -0.40 0.59 3.38 -1.20 -2.13 115.31 116.71 1b46 h LEU 401 Ca 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1b46 h LEU 401 Cb 0.42 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1b46 h LEU 401 CO -0.43 0.98 0.15 -0.78 0.09 0.00 0.00 178.44 178.45 1b46 h ASP 402 N 1.02 0.55 -0.51 -0.43 3.58 -0.94 -0.59 116.42 119.11 1b46 h ASP 402 Ca 0.21 -0.17 0.09 0.00 0.42 0.00 0.00 57.03 57.57 1b46 h ASP 402 Cb 0.37 -0.14 -0.07 0.00 1.72 0.00 0.00 39.33 41.20 1b46 h ASP 402 CO 0.00 0.58 0.11 0.74 -2.88 0.00 0.00 179.24 177.79 1b46 h THR 403 N 0.49 0.72 -0.56 2.25 2.02 -0.47 0.83 112.91 118.20 1b46 h THR 403 Ca 0.13 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.16 1b46 h THR 403 Cb 0.20 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1b46 h THR 403 CO -0.01 0.05 0.10 0.03 0.37 0.00 0.00 175.52 176.05 1b46 h ARG 404 N 0.25 0.92 -0.10 6.66 3.08 -1.05 -1.15 114.38 122.99 1b46 h ARG 404 Ca 0.26 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1b46 h ARG 404 Cb 0.34 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1b46 h ARG 404 CO -0.33 0.88 -0.22 0.45 -1.07 0.00 0.00 179.97 179.68 1b46 h HIS 405 N 0.82 0.19 0.00 3.04 3.86 -0.45 -2.74 115.15 119.86 1b46 h HIS 405 Ca 0.17 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1b46 h HIS 405 Cb 0.40 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1b46 h HIS 405 CO 0.03 0.39 -0.09 1.96 0.86 0.00 0.00 177.93 181.07 1b46 h GLN 406 N 0.16 0.00 -0.04 2.45 4.20 -0.38 -3.47 115.11 118.03 1b46 h GLN 406 Ca 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1b46 h GLN 406 Cb 0.49 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1b46 h GLN 406 CO 0.03 0.00 -0.01 0.41 -0.67 0.00 0.00 178.83 178.59 1b46 n GLY 407 N 1.16 0.41 2.50 3.46 0.00 -0.48 -4.96 105.19 107.28 1b46 n GLY 407 Ca 0.04 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 1b46 n GLY 407 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b46 n THR 408 N -3.19 3.83 -4.02 2.61 -2.24 -0.91 -4.86 114.28 105.50 1b46 n THR 408 Ca -0.01 -3.39 -0.10 0.00 -2.27 0.00 0.00 64.05 58.28 1b46 n THR 408 Cb 0.12 -1.69 -0.05 0.00 -2.10 0.00 0.00 70.33 66.60 1b46 n THR 408 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1b46 s PHE 409 N -1.70 0.47 0.00 4.78 -0.71 -1.26 -4.95 117.98 114.61 1b46 s PHE 409 Ca 0.57 -0.82 0.00 0.00 -1.04 0.00 0.00 56.93 55.65 1b46 s PHE 409 Cb 0.34 0.13 0.00 0.00 -1.21 0.00 0.00 43.02 42.27 1b46 s PHE 409 CO -0.20 -0.99 0.00 -0.25 -1.34 0.00 0.00 175.22 172.44 1b46 n ASP 410 N -0.47 0.00 -4.11 1.98 8.00 -1.26 -4.71 116.55 115.98 1b46 n ASP 410 Ca -0.01 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.25 1b46 n ASP 410 Cb 0.62 -0.34 -0.15 0.00 -0.02 0.00 0.00 41.12 41.23 1b46 n ASP 410 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1b46 s VAL 411 N -0.85 1.19 -0.00 2.53 1.01 -1.06 -1.32 120.40 121.90 1b46 s VAL 411 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1b46 s VAL 411 Cb 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1b46 s VAL 411 CO 0.00 0.34 -0.12 0.00 0.00 0.00 0.00 175.10 175.33 1b46 s ALA 412 N -0.17 0.96 0.48 5.51 0.00 0.49 -1.14 121.76 127.89 1b46 s ALA 412 Ca 0.02 -0.52 -0.24 0.00 0.00 0.00 0.00 51.96 51.22 1b46 s ALA 412 Cb -0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 23.12 22.74 1b46 s ALA 412 CO 0.00 0.23 1.36 -2.13 0.00 0.00 0.00 175.76 175.22 1b46 n ARG 413 N 2.72 1.95 -3.60 0.00 0.00 0.65 0.47 116.66 118.85 1b46 n ARG 413 Ca -0.14 0.70 -0.11 0.00 -0.00 0.00 0.00 57.85 58.31 1b46 n ARG 413 Cb 0.56 -2.54 -0.04 0.00 0.00 0.00 0.00 32.46 30.44 1b46 n ARG 413 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b46 s ALA 414 N -1.24 -1.13 -0.17 5.13 0.00 0.09 -4.73 121.76 119.71 1b46 s ALA 414 Ca 0.65 0.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.53 1b46 s ALA 414 Cb -0.45 0.80 0.05 0.00 0.00 0.00 0.00 23.12 23.52 1b46 s ALA 414 CO 0.54 -0.73 0.43 0.20 0.00 0.00 0.00 175.76 176.20 1b46 s GLY 415 N -2.81 -0.33 -0.09 0.00 0.00 -1.26 -0.83 107.32 102.00 1b46 s GLY 415 Ca 0.04 1.34 0.02 0.00 0.00 0.00 0.00 44.72 46.12 1b46 s GLY 415 CO -0.09 1.27 -0.15 0.86 0.00 0.00 0.00 173.10 174.98 1b46 s TRP 416 N 0.60 1.83 -0.06 1.90 -0.11 -0.67 -4.97 118.94 117.47 1b46 s TRP 416 Ca -0.03 -0.78 0.00 0.00 1.22 0.00 0.00 56.10 56.52 1b46 s TRP 416 Cb -0.05 -1.31 -0.03 0.00 -1.50 0.00 0.00 33.47 30.58 1b46 s TRP 416 CO -0.04 -0.39 -0.04 0.00 -4.62 0.00 0.00 176.95 171.86 1b46 n ALA 418 N 2.04 1.76 -0.05 0.00 0.00 -0.29 -4.93 120.51 119.04 1b46 n ALA 418 Ca -0.17 0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 1b46 n ALA 418 Cb 0.53 -2.37 -0.15 0.00 0.00 0.00 0.00 19.45 17.46 1b46 n ALA 418 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1b46 n ASP 419 N -0.66 0.16 -3.87 0.00 8.00 -1.26 -4.92 116.55 114.00 1b46 n ASP 419 Ca 0.08 0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.54 1b46 n ASP 419 Cb 0.43 1.17 -0.11 0.00 -0.02 0.00 0.00 41.12 42.59 1b46 n ASP 419 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1b46 s TYR 420 N -2.90 0.02 -1.02 1.24 1.13 -1.26 -4.71 117.35 109.84 1b46 s TYR 420 Ca -0.08 -0.05 -0.21 0.00 -1.41 0.00 0.00 57.07 55.32 1b46 s TYR 420 Cb 0.09 -0.04 0.09 0.00 -1.10 0.00 0.00 41.96 41.00 1b46 s TYR 420 CO 0.85 -0.23 1.36 1.21 -2.51 0.00 0.00 175.55 176.24 1b46 s ASN 421 N -1.05 6.60 -0.26 -0.18 3.84 -1.26 -4.62 114.94 118.00 1b46 s ASN 421 Ca -0.11 -1.82 -0.26 0.00 0.21 0.00 0.00 52.86 50.87 1b46 s ASN 421 Cb -0.06 -2.50 0.13 0.00 -0.55 0.00 0.00 41.25 38.27 1b46 s ASN 421 CO 0.01 -1.29 1.09 -0.70 -2.79 0.00 0.00 177.10 173.43 1b46 s GLU 422 N 3.95 0.44 0.55 0.43 -6.30 -1.26 -4.40 118.70 112.11 1b46 s GLU 422 Ca 0.42 0.43 0.22 0.00 -2.50 0.00 0.00 54.97 53.54 1b46 s GLU 422 Cb -0.01 0.21 1.45 0.00 0.00 0.00 0.00 34.13 35.79 1b46 s GLU 422 CO -0.08 -0.07 2.14 -1.35 0.02 0.00 0.00 175.26 175.92 1b46 h PRO 423 N 3.72 0.00 0.00 4.30 0.11 -1.89 -1.03 132.00 137.21 1b46 h PRO 423 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1b46 h PRO 423 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1b46 h PRO 423 CO 0.15 0.00 -0.03 1.79 -0.21 0.00 0.00 178.00 179.70 1b46 h THR 424 N 0.00 0.14 -0.09 -1.15 1.35 -1.95 0.23 112.91 111.45 1b46 h THR 424 Ca 0.05 -0.37 0.03 0.00 -0.55 0.00 0.00 66.41 65.57 1b46 h THR 424 Cb 0.22 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1b46 h THR 424 CO -0.00 0.03 0.08 -1.28 -0.25 0.00 0.00 175.52 174.10 1b46 h SER 425 N 0.00 0.00 0.00 5.36 0.87 -1.44 -0.42 113.55 117.93 1b46 h SER 425 Ca -0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 1b46 h SER 425 Cb 0.31 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1b46 h SER 425 CO 0.00 0.00 -1.11 0.49 -0.53 0.00 0.00 176.83 175.69 1b46 n PHE 426 N -4.19 0.71 0.04 2.24 3.01 -0.34 -4.61 117.46 114.32 1b46 n PHE 426 Ca -0.01 0.31 0.09 0.00 1.01 0.00 0.00 57.45 58.85 1b46 n PHE 426 Cb 0.19 -0.88 0.52 0.00 -0.01 0.00 0.00 39.48 39.30 1b46 n PHE 426 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1b46 h LEU 427 N -1.00 0.29 -1.63 4.37 3.38 -0.90 -1.84 115.31 117.97 1b46 h LEU 427 Ca -0.21 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1b46 h LEU 427 Cb 1.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1b46 h LEU 427 CO -0.13 0.20 0.00 0.78 0.09 0.00 0.00 178.44 179.38 1b46 h ASN 428 N 0.34 0.00 0.92 -0.43 2.35 -1.32 -2.12 115.58 115.31 1b46 h ASN 428 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1b46 h ASN 428 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1b46 h ASN 428 CO -0.04 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.09 1b46 n THR 429 N -2.82 0.64 0.31 2.81 -2.24 -0.69 -2.59 114.28 109.69 1b46 n THR 429 Ca -0.00 0.06 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 1b46 n THR 429 Cb 0.21 -0.84 0.18 0.00 -2.10 0.00 0.00 70.33 67.78 1b46 n THR 429 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1b46 n MET 430 N -1.91 2.31 -1.98 -0.78 2.81 -0.80 -3.27 117.12 113.50 1b46 n MET 430 Ca 0.04 -2.12 -0.39 0.00 -1.81 0.00 0.00 57.70 53.42 1b46 n MET 430 Cb 0.29 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1b46 n MET 430 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1b46 s LEU 431 N -1.40 4.15 0.29 4.03 1.43 -1.07 -4.73 118.68 121.39 1b46 s LEU 431 Ca 0.34 2.71 0.04 0.00 -1.03 0.00 0.00 54.13 56.18 1b46 s LEU 431 Cb 0.20 -3.96 0.73 0.00 0.03 0.00 0.00 46.19 43.19 1b46 s LEU 431 CO 0.28 -0.99 1.70 0.28 0.23 0.00 0.00 176.35 177.85 1b46 h SER 432 N 2.46 0.35 -0.60 2.29 0.02 -1.88 -0.84 113.55 115.34 1b46 h SER 432 Ca -0.50 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1b46 h SER 432 Cb 1.26 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1b46 h SER 432 CO 0.62 0.01 0.00 -0.90 -1.14 0.00 0.00 176.83 175.41 1b46 n ASP 433 N -5.03 4.16 -4.74 3.07 5.75 -1.26 -4.89 116.55 113.61 1b46 n ASP 433 Ca 0.22 -2.32 -0.41 0.00 -0.01 0.00 0.00 54.79 52.27 1b46 n ASP 433 Cb 0.65 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 40.19 1b46 n ASP 433 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1b46 s SER 434 N -0.88 6.81 0.47 -1.12 0.15 -0.32 -4.89 113.70 113.91 1b46 s SER 434 Ca 0.45 2.51 0.32 0.00 0.70 0.00 0.00 55.95 59.93 1b46 s SER 434 Cb 0.28 -2.62 1.56 0.00 -1.71 0.00 0.00 66.02 63.54 1b46 s SER 434 CO 0.24 -0.59 1.96 0.77 1.20 0.00 0.00 173.24 176.82 1b46 h SER 435 N 5.18 0.00 -0.45 5.45 4.64 -1.91 -1.61 113.55 124.86 1b46 h SER 435 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1b46 h SER 435 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1b46 h SER 435 CO 0.77 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.32 1b46 n ASN 436 N -2.70 3.00 -4.50 4.97 4.13 -1.25 -4.81 115.26 114.11 1b46 n ASN 436 Ca -0.01 -1.95 -0.43 0.00 1.68 0.00 0.00 54.58 53.87 1b46 n ASN 436 Cb 0.15 -0.30 -0.01 0.00 -1.54 0.00 0.00 39.78 38.08 1b46 n ASN 436 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1b46 s ASN 437 N -1.26 6.79 0.00 6.41 3.84 -0.61 -4.70 114.94 125.40 1b46 s ASN 437 Ca 0.38 -2.32 0.27 0.00 0.21 0.00 0.00 52.86 51.40 1b46 s ASN 437 Cb 0.21 -2.46 0.87 0.00 -0.55 0.00 0.00 41.25 39.32 1b46 s ASN 437 CO 0.28 -1.06 1.66 0.35 -2.79 0.00 0.00 177.10 175.55 1b46 n THR 438 N 5.61 0.00 0.30 -5.21 -2.24 -1.26 -2.90 114.28 108.58 1b46 n THR 438 Ca 0.34 -0.01 0.14 0.00 -2.27 0.00 0.00 64.05 62.25 1b46 n THR 438 Cb 0.47 -0.05 0.41 0.00 -2.10 0.00 0.00 70.33 69.06 1b46 n THR 438 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b46 h ALA 439 N 3.12 1.00 -5.94 6.98 0.00 -1.84 -3.45 119.26 119.13 1b46 h ALA 439 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 1b46 h ALA 439 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.37 1b46 h ALA 439 CO 0.00 0.00 -0.72 0.72 0.00 0.00 0.00 179.25 179.25 1b46 n HIS 440 N -2.93 -2.64 -3.55 0.00 8.25 -1.14 -0.85 115.22 112.36 1b46 n HIS 440 Ca 0.03 0.98 -0.36 0.00 -0.26 0.00 0.00 57.72 58.10 1b46 n HIS 440 Cb 0.41 -4.79 -0.07 0.00 1.12 0.00 0.00 29.99 26.66 1b46 n HIS 440 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1b46 s TYR 441 N -3.34 3.47 -0.29 4.41 5.04 -1.26 -3.92 117.35 121.46 1b46 s TYR 441 Ca 0.51 0.60 -0.03 0.00 -2.44 0.00 0.00 57.07 55.71 1b46 s TYR 441 Cb -0.23 -2.32 0.10 0.00 0.35 0.00 0.00 41.96 39.85 1b46 s TYR 441 CO 0.76 0.27 0.11 0.15 -1.34 0.00 0.00 175.55 175.49 1b46 s LYS 442 N 0.37 0.42 -0.23 4.97 1.02 -1.26 -4.19 119.74 120.84 1b46 s LYS 442 Ca 0.16 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.42 1b46 s LYS 442 Cb -0.13 -1.55 0.06 0.00 -0.52 0.00 0.00 37.83 35.69 1b46 s LYS 442 CO 0.04 -0.99 -0.07 0.45 -0.92 0.00 0.00 175.35 173.86 1b46 s SER 443 N 1.89 3.79 0.35 2.83 0.15 -1.26 -5.00 113.70 116.44 1b46 s SER 443 Ca 0.09 -1.12 0.08 0.00 0.70 0.00 0.00 55.95 55.69 1b46 s SER 443 Cb -0.17 -1.22 0.78 0.00 -1.71 0.00 0.00 66.02 63.71 1b46 s SER 443 CO -0.31 -0.21 1.88 -0.65 1.20 0.00 0.00 173.24 175.15 1b46 h PRO 444 N 7.95 0.71 -0.26 5.44 0.11 -1.99 0.95 132.00 144.91 1b46 h PRO 444 Ca -0.20 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.82 1b46 h PRO 444 Cb 1.07 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1b46 h PRO 444 CO 0.43 0.47 0.00 0.00 -0.21 0.00 0.00 178.00 178.69 1b46 h ALA 445 N 1.59 0.35 0.01 -0.75 0.00 -1.99 -1.22 119.26 117.25 1b46 h ALA 445 Ca 0.43 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1b46 h ALA 445 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1b46 h ALA 445 CO -0.19 0.08 -0.01 0.35 0.00 0.00 0.00 179.25 179.48 1b46 h PHE 446 N 0.24 -0.01 -0.77 0.00 3.57 -1.73 -1.67 116.94 116.57 1b46 h PHE 446 Ca 0.07 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.70 1b46 h PHE 446 Cb 0.41 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.07 1b46 h PHE 446 CO 0.03 0.04 0.37 -0.44 -2.23 0.00 0.00 178.31 176.08 1b46 h ASP 447 N -0.06 0.44 -0.55 0.41 3.32 -0.71 -2.05 116.42 117.21 1b46 h ASP 447 Ca -0.00 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1b46 h ASP 447 Cb 0.06 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1b46 h ASP 447 CO 0.00 0.21 0.11 0.50 -1.72 0.00 0.00 179.24 178.34 1b46 h LYS 448 N 0.57 0.90 -0.66 3.56 1.63 -0.73 -1.22 116.57 120.61 1b46 h LYS 448 Ca 0.41 -0.23 0.07 0.00 -0.85 0.00 0.00 60.65 60.04 1b46 h LYS 448 Cb 0.53 -0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.99 1b46 h LYS 448 CO -0.34 0.86 0.35 -0.07 -3.45 0.00 0.00 179.45 176.80 1b46 h LEU 449 N 0.80 0.50 -0.32 5.20 3.38 -0.64 -1.16 115.31 123.06 1b46 h LEU 449 Ca 0.17 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.98 1b46 h LEU 449 Cb 0.38 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1b46 h LEU 449 CO 0.01 0.31 -0.72 0.40 0.09 0.00 0.00 178.44 178.53 1b46 h ILE 450 N 0.63 1.33 -0.95 1.22 1.08 -1.14 -2.96 117.51 116.72 1b46 h ILE 450 Ca 0.31 -2.03 0.10 0.00 -0.39 0.00 0.00 64.86 62.86 1b46 h ILE 450 Cb 0.24 2.01 -0.07 0.00 -3.07 0.00 0.00 36.82 35.92 1b46 h ILE 450 CO -0.21 0.62 0.61 0.00 -0.69 0.00 0.00 178.15 178.49 1b46 h ALA 451 N 0.79 1.58 0.00 1.87 0.00 -0.78 -1.18 119.26 121.54 1b46 h ALA 451 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b46 h ALA 451 Cb 1.31 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1b46 h ALA 451 CO 0.14 0.22 0.00 -0.44 0.00 0.00 0.00 179.25 179.16 1b46 h ASP 452 N 0.95 0.00 0.27 0.00 3.32 -1.06 -3.16 116.42 116.74 1b46 h ASP 452 Ca 0.45 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.48 1b46 h ASP 452 Cb 0.43 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1b46 h ASP 452 CO -0.21 0.00 -0.11 0.71 -1.72 0.00 0.00 179.24 177.91 1b46 h THR 453 N 0.00 0.64 -0.58 0.35 1.35 -1.11 -1.05 112.91 112.51 1b46 h THR 453 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1b46 h THR 453 Cb 0.56 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1b46 h THR 453 CO 0.00 0.11 0.00 0.18 -0.25 0.00 0.00 175.52 175.56 1b46 n LEU 454 N -3.78 4.18 -0.42 3.87 4.77 -1.19 -4.12 117.00 120.31 1b46 n LEU 454 Ca -0.02 -2.32 0.09 0.00 -0.03 0.00 0.00 56.01 53.73 1b46 n LEU 454 Cb 0.21 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1b46 n LEU 454 CO 0.30 0.83 0.28 0.29 -1.33 0.00 0.00 177.39 177.76 1b46 n LYS 455 N 0.98 1.47 -4.19 3.23 5.02 -0.40 -4.77 118.16 119.49 1b46 n LYS 455 Ca 0.23 -0.89 -0.23 0.00 -2.02 0.00 0.00 58.31 55.40 1b46 n LYS 455 Cb 0.75 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 34.33 1b46 n LYS 455 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1b46 s VAL 456 N -2.17 3.59 -0.18 -0.18 -7.23 -1.22 -5.05 120.40 107.97 1b46 s VAL 456 Ca 0.16 -1.73 0.16 0.00 -1.81 0.00 0.00 61.98 58.75 1b46 s VAL 456 Cb 0.15 -3.02 0.44 0.00 0.56 0.00 0.00 36.38 34.52 1b46 s VAL 456 CO 0.48 -0.32 1.19 0.00 -0.31 0.00 0.00 175.10 176.14 1b46 n ALA 457 N -1.04 3.47 -2.86 1.32 0.00 -1.26 -5.00 120.51 115.15 1b46 n ALA 457 Ca -0.06 -3.09 -0.20 0.00 0.00 0.00 0.00 53.44 50.09 1b46 n ALA 457 Cb 0.59 -0.51 -0.15 0.00 0.00 0.00 0.00 19.45 19.38 1b46 n ALA 457 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1b46 s ASP 458 N -3.07 1.18 0.38 0.00 2.15 -1.26 -5.04 116.67 111.01 1b46 s ASP 458 Ca 0.38 -0.18 0.20 0.00 0.43 0.00 0.00 52.55 53.38 1b46 s ASP 458 Cb 0.38 -0.23 0.66 0.00 -0.30 0.00 0.00 42.92 43.42 1b46 s ASP 458 CO -0.07 0.09 1.72 0.44 -0.17 0.00 0.00 175.17 177.18 1b46 h ASP 459 N 6.16 0.00 -0.15 -0.34 3.32 -1.98 -0.90 116.42 122.52 1b46 h ASP 459 Ca -0.32 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.62 1b46 h ASP 459 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1b46 h ASP 459 CO 0.49 0.35 -0.31 0.74 -1.72 0.00 0.00 179.24 178.79 1b46 h THR 460 N 0.00 1.36 -0.49 0.35 2.02 -1.98 0.93 112.91 115.10 1b46 h THR 460 Ca -0.00 -1.57 -0.12 0.00 0.77 0.00 0.00 66.41 65.49 1b46 h THR 460 Cb 0.93 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 1b46 h THR 460 CO 0.05 0.47 -0.15 1.56 0.37 0.00 0.00 175.52 177.81 1b46 h GLN 461 N 0.10 0.96 -0.17 6.66 4.20 -1.97 -0.74 115.11 124.15 1b46 h GLN 461 Ca 0.00 -0.39 0.01 0.00 0.06 0.00 0.00 58.65 58.34 1b46 h GLN 461 Cb 0.91 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1b46 h GLN 461 CO 0.07 1.06 0.08 -0.09 -0.67 0.00 0.00 178.83 179.27 1b46 h ARG 462 N 0.82 0.16 -0.75 1.46 2.43 -1.09 -1.83 114.38 115.58 1b46 h ARG 462 Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1b46 h ARG 462 Cb 0.72 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 1b46 h ARG 462 CO 0.06 0.11 0.48 0.77 -1.51 0.00 0.00 179.97 179.88 1b46 h SER 463 N 0.17 0.87 -0.23 -3.80 0.02 -0.66 0.02 113.55 109.93 1b46 h SER 463 Ca 0.07 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1b46 h SER 463 Cb 0.03 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1b46 h SER 463 CO -0.06 0.64 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.70 1b46 h GLU 464 N 1.02 0.71 -0.55 3.45 5.08 -0.83 -1.91 114.58 121.56 1b46 h GLU 464 Ca 0.27 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1b46 h GLU 464 Cb -0.10 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1b46 h GLU 464 CO -0.06 0.89 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.67 1b46 h LEU 465 N 0.62 1.04 -0.74 1.33 3.38 -0.75 -0.65 115.31 119.53 1b46 h LEU 465 Ca 0.08 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1b46 h LEU 465 Cb 0.74 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1b46 h LEU 465 CO 0.06 1.14 0.48 1.88 0.09 0.00 0.00 178.44 182.10 1b46 h TYR 466 N 0.91 0.91 -0.84 1.13 0.05 -0.75 0.82 116.97 119.20 1b46 h TYR 466 Ca 0.14 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 1b46 h TYR 466 Cb 0.67 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 1b46 h TYR 466 CO 0.05 0.56 0.53 0.00 -1.05 0.00 0.00 178.16 178.24 1b46 h ALA 467 N 1.29 1.07 -0.50 3.88 0.00 -1.12 -1.41 119.26 122.47 1b46 h ALA 467 Ca 0.28 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1b46 h ALA 467 Cb -0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1b46 h ALA 467 CO -0.08 0.52 0.03 0.87 0.00 0.00 0.00 179.25 180.59 1b46 h LYS 468 N 1.15 0.82 -0.64 0.00 1.79 -0.43 0.20 116.57 119.47 1b46 h LYS 468 Ca 0.31 -0.21 -0.08 0.00 -2.18 0.00 0.00 60.65 58.48 1b46 h LYS 468 Cb -0.08 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.45 1b46 h LYS 468 CO -0.06 0.81 0.07 0.00 -1.08 0.00 0.00 179.45 179.19 1b46 h ALA 469 N 1.25 0.92 -0.52 3.86 0.00 -0.44 -0.46 119.26 123.87 1b46 h ALA 469 Ca 0.15 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1b46 h ALA 469 Cb 0.43 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1b46 h ALA 469 CO 0.02 0.66 -0.05 0.93 0.00 0.00 0.00 179.25 180.81 1b46 h GLU 470 N 0.99 0.96 -0.62 0.00 4.39 -0.97 -0.84 114.58 118.49 1b46 h GLU 470 Ca 0.19 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1b46 h GLU 470 Cb 0.47 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 1b46 h GLU 470 CO 0.02 1.00 0.30 1.96 -1.16 0.00 0.00 179.01 181.12 1b46 h GLN 471 N 0.83 0.88 -0.69 2.33 4.20 -0.42 -0.80 115.11 121.44 1b46 h GLN 471 Ca 0.14 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1b46 h GLN 471 Cb 0.60 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1b46 h GLN 471 CO 0.04 0.69 0.34 0.37 -0.67 0.00 0.00 178.83 179.60 1b46 h GLN 472 N 0.88 0.98 -0.62 1.46 5.75 -0.76 0.54 115.11 123.35 1b46 h GLN 472 Ca 0.22 -0.14 -0.09 0.00 -0.15 0.00 0.00 58.65 58.49 1b46 h GLN 472 Cb 0.10 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1b46 h GLN 472 CO -0.03 0.77 0.05 1.25 -2.65 0.00 0.00 178.83 178.22 1b46 h LEU 473 N 0.96 1.03 -0.36 -2.39 5.85 -0.68 -2.29 115.31 117.42 1b46 h LEU 473 Ca 0.24 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 1b46 h LEU 473 Cb 0.10 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1b46 h LEU 473 CO -0.03 1.06 -0.04 -0.78 -0.34 0.00 0.00 178.44 178.30 1b46 h ASP 474 N 0.96 0.66 0.06 1.25 3.58 -1.01 -0.61 116.42 121.32 1b46 h ASP 474 Ca 0.18 -0.33 -0.07 0.00 0.42 0.00 0.00 57.03 57.23 1b46 h ASP 474 Cb 0.50 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1b46 h ASP 474 CO 0.02 0.84 -0.22 0.07 -2.88 0.00 0.00 179.24 177.07 1b46 h LYS 475 N 0.47 0.28 -0.00 0.28 2.10 -0.75 -1.08 116.57 117.88 1b46 h LYS 475 Ca 0.10 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1b46 h LYS 475 Cb 0.52 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1b46 h LYS 475 CO 0.03 0.49 -0.07 -0.25 -2.00 0.00 0.00 179.45 177.65 1b46 n ASP 476 N -4.18 0.09 -3.91 7.07 8.00 -0.87 -4.94 116.55 117.81 1b46 n ASP 476 Ca -0.01 0.24 -0.30 0.00 0.71 0.00 0.00 54.79 55.43 1b46 n ASP 476 Cb 0.34 -0.35 -0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1b46 n ASP 476 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1b46 n SER 477 N -1.43 -2.05 -0.21 -2.24 7.64 -0.27 -4.85 113.62 110.20 1b46 n SER 477 Ca 0.08 -1.05 -0.02 0.00 1.01 0.00 0.00 58.87 58.89 1b46 n SER 477 Cb 0.32 -2.93 0.18 0.00 -1.01 0.00 0.00 64.21 60.77 1b46 n SER 477 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b46 h ALA 478 N 0.91 1.29 -2.21 -0.43 0.00 -1.73 -3.43 119.26 113.65 1b46 h ALA 478 Ca -0.65 -0.13 -0.45 0.00 0.00 0.00 0.00 54.91 53.68 1b46 h ALA 478 Cb 1.38 -0.28 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1b46 h ALA 478 CO 0.58 0.56 -0.55 0.96 0.00 0.00 0.00 179.25 180.79 1b46 s ILE 479 N -5.59 0.44 -0.40 0.00 -4.36 -1.26 -3.94 121.20 106.09 1b46 s ILE 479 Ca -0.11 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.26 1b46 s ILE 479 Cb 0.17 -2.50 0.11 0.00 1.25 0.00 0.00 42.46 41.48 1b46 s ILE 479 CO 0.80 0.00 0.19 -0.69 0.24 0.00 0.00 174.94 175.48 1b46 s VAL 480 N -3.50 3.23 0.39 8.37 1.01 -0.40 -4.89 120.40 124.61 1b46 s VAL 480 Ca 0.33 -2.03 -0.27 0.00 0.00 0.00 0.00 61.98 60.01 1b46 s VAL 480 Cb 0.05 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.13 1b46 s VAL 480 CO 0.17 -0.66 1.38 -2.84 0.00 0.00 0.00 175.10 173.15 1b46 s PRO 481 N 1.14 4.04 0.04 2.72 0.02 -1.26 -0.20 135.00 141.49 1b46 s PRO 481 Ca 0.08 2.33 -0.03 0.00 0.02 0.00 0.00 61.00 63.40 1b46 s PRO 481 Cb -0.22 -2.86 -0.01 0.00 0.02 0.00 0.00 34.50 31.42 1b46 s PRO 481 CO -0.04 -0.50 -0.06 0.28 -0.33 0.00 0.00 177.00 176.35 1b46 n VAL 482 N 0.30 1.16 -3.58 3.83 0.31 0.55 -4.73 118.33 116.17 1b46 n VAL 482 Ca 0.02 0.31 -0.11 0.00 -0.01 0.00 0.00 64.34 64.55 1b46 n VAL 482 Cb 0.42 -1.70 -0.04 0.00 -0.91 0.00 0.00 33.84 31.60 1b46 n VAL 482 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1b46 s TYR 483 N -2.15 -0.31 -0.12 3.52 -0.85 -1.01 -1.33 117.35 115.10 1b46 s TYR 483 Ca -0.05 0.09 -0.18 0.00 -0.52 0.00 0.00 57.07 56.40 1b46 s TYR 483 Cb 0.01 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.64 1b46 s TYR 483 CO 0.07 -0.71 0.49 0.71 -1.52 0.00 0.00 175.55 174.59 1b46 s TYR 484 N -3.50 3.50 0.71 -3.49 2.02 0.98 -0.95 117.35 116.63 1b46 s TYR 484 Ca 0.01 0.89 -0.12 0.00 -0.37 0.00 0.00 57.07 57.47 1b46 s TYR 484 Cb 0.01 -2.57 0.03 0.00 -0.40 0.00 0.00 41.96 39.03 1b46 s TYR 484 CO -0.10 0.15 1.09 0.71 -1.57 0.00 0.00 175.55 175.83 1b46 s TYR 485 N 0.70 2.65 0.19 2.71 1.51 -0.45 -2.86 117.35 121.80 1b46 s TYR 485 Ca 0.26 1.54 0.09 0.00 -1.01 0.00 0.00 57.07 57.96 1b46 s TYR 485 Cb -0.15 -3.08 -0.04 0.00 -0.11 0.00 0.00 41.96 38.58 1b46 s TYR 485 CO 0.10 -1.68 -0.12 0.14 -1.11 0.00 0.00 175.55 172.88 1b46 s VAL 486 N -2.68 3.02 -0.75 0.71 -7.23 -1.26 -4.05 120.40 108.16 1b46 s VAL 486 Ca 0.63 -1.77 -0.18 0.00 -1.81 0.00 0.00 61.98 58.86 1b46 s VAL 486 Cb -0.18 -2.49 0.14 0.00 0.56 0.00 0.00 36.38 34.40 1b46 s VAL 486 CO 0.49 -0.13 0.85 0.21 -0.31 0.00 0.00 175.10 176.22 1b46 s ASN 487 N -2.85 6.45 -0.21 4.85 2.47 0.88 -4.88 114.94 121.64 1b46 s ASN 487 Ca 0.24 -1.88 -0.04 0.00 0.42 0.00 0.00 52.86 51.60 1b46 s ASN 487 Cb -0.08 -2.31 -0.02 0.00 -1.45 0.00 0.00 41.25 37.39 1b46 s ASN 487 CO 0.14 -0.99 -0.03 0.00 -3.72 0.00 0.00 177.10 172.50 1b46 s ALA 488 N 2.17 2.90 0.19 1.71 0.00 -1.26 -1.43 121.76 126.04 1b46 s ALA 488 Ca 0.20 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.92 1b46 s ALA 488 Cb -0.15 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.29 1b46 s ALA 488 CO -0.02 -0.26 0.50 -0.98 0.00 0.00 0.00 175.76 175.01 1b46 s ARG 489 N 1.19 1.35 -0.12 0.00 1.70 -0.78 -3.95 118.95 118.35 1b46 s ARG 489 Ca 0.03 -0.87 -0.09 0.00 -0.47 0.00 0.00 55.73 54.33 1b46 s ARG 489 Cb -0.14 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 1b46 s ARG 489 CO -0.00 -0.57 0.18 -0.51 -1.08 0.00 0.00 175.30 173.32 1b46 s LEU 490 N -2.87 4.36 -0.07 -1.89 1.43 -1.26 -1.08 118.68 117.30 1b46 s LEU 490 Ca 0.09 0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1b46 s LEU 490 Cb -0.01 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 44.10 1b46 s LEU 490 CO -0.03 0.35 -0.01 -0.69 0.23 0.00 0.00 176.35 176.19 1b46 s VAL 491 N -0.74 0.47 0.64 -1.59 1.01 -0.23 -1.49 120.40 118.47 1b46 s VAL 491 Ca 0.15 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 1b46 s VAL 491 Cb -0.12 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1b46 s VAL 491 CO 0.04 0.27 1.29 -0.54 0.00 0.00 0.00 175.10 176.16 1b46 s LYS 492 N 1.78 2.60 0.57 2.72 -0.14 -0.70 -4.58 119.74 122.00 1b46 s LYS 492 Ca 0.03 2.06 0.26 0.00 -1.36 0.00 0.00 55.97 56.96 1b46 s LYS 492 Cb -0.13 -1.87 1.54 0.00 -1.68 0.00 0.00 37.83 35.70 1b46 s LYS 492 CO -0.05 -1.56 2.08 -1.35 -0.76 0.00 0.00 175.35 173.71 1b46 h PRO 493 N 0.60 0.00 -0.01 -1.68 0.11 -1.92 -1.58 132.00 127.53 1b46 h PRO 493 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1b46 h PRO 493 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1b46 h PRO 493 CO 0.53 0.00 -0.08 -2.67 -0.21 0.00 0.00 178.00 175.58 1b46 n TRP 494 N -4.03 0.00 -3.00 0.65 2.14 -1.26 -4.73 117.44 107.21 1b46 n TRP 494 Ca 0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.18 1b46 n TRP 494 Cb 0.37 -0.10 -0.06 0.00 -0.81 0.00 0.00 31.31 30.71 1b46 n TRP 494 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1b46 s VAL 495 N -2.27 4.73 0.18 -1.67 1.01 -0.60 -0.28 120.40 121.50 1b46 s VAL 495 Ca 0.34 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.94 1b46 s VAL 495 Cb 0.21 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1b46 s VAL 495 CO 0.43 -0.54 0.32 -0.83 0.00 0.00 0.00 175.10 174.48 1b46 s GLY 496 N 1.96 1.60 0.00 4.51 0.00 0.46 -4.59 107.32 111.25 1b46 s GLY 496 Ca 0.29 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1b46 s GLY 496 CO 0.19 -1.05 0.00 0.61 0.00 0.00 0.00 173.10 172.85 1b46 n GLY 497 N -0.78 0.91 3.38 0.20 0.00 -1.26 -1.50 105.19 106.14 1b46 n GLY 497 Ca -0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 1b46 n GLY 497 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b46 s TYR 498 N -2.23 3.03 0.08 1.61 5.04 -1.26 -4.79 117.35 118.82 1b46 s TYR 498 Ca 0.00 -1.03 -0.07 0.00 -2.44 0.00 0.00 57.07 53.52 1b46 s TYR 498 Cb 0.00 -4.06 -0.25 0.00 0.35 0.00 0.00 41.96 38.00 1b46 s TYR 498 CO 0.00 -1.33 1.15 1.79 -1.34 0.00 0.00 175.55 175.82 1b46 h THR 499 N 5.85 1.42 0.00 4.34 1.35 -1.96 -3.47 112.91 120.43 1b46 h THR 499 Ca -0.23 -2.79 0.00 0.00 -0.55 0.00 0.00 66.41 62.84 1b46 h THR 499 Cb 1.08 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.31 1b46 h THR 499 CO 1.09 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 177.79 1b46 n GLY 500 N 1.41 0.58 0.20 5.82 0.00 -1.26 -4.91 105.19 107.03 1b46 n GLY 500 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1b46 n GLY 500 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b46 h LYS 501 N 1.36 0.00 -6.02 1.61 1.79 -1.88 -3.42 116.57 110.01 1b46 h LYS 501 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 1b46 h LYS 501 Cb 0.04 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.59 1b46 h LYS 501 CO 0.00 0.00 0.55 0.34 -1.08 0.00 0.00 179.45 179.26 1b46 s ASP 502 N -5.95 6.66 0.02 0.86 2.15 -1.23 -4.79 116.67 114.38 1b46 s ASP 502 Ca 0.07 0.55 0.19 0.00 0.43 0.00 0.00 52.55 53.78 1b46 s ASP 502 Cb 0.06 -2.45 0.81 0.00 -0.30 0.00 0.00 42.92 41.05 1b46 s ASP 502 CO 0.67 -0.82 1.61 -0.81 -0.17 0.00 0.00 175.17 175.65 1b46 n PRO 503 N 6.68 0.01 0.00 4.34 -0.04 -1.26 -1.21 135.00 143.53 1b46 n PRO 503 Ca 0.06 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 1b46 n PRO 503 Cb 0.48 -1.52 0.20 0.00 -0.04 0.00 0.00 33.50 32.62 1b46 n PRO 503 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1b46 n LEU 504 N -1.55 0.91 -3.77 1.53 4.77 -1.26 -0.59 117.00 117.04 1b46 n LEU 504 Ca 0.04 -0.25 -0.26 0.00 -0.03 0.00 0.00 56.01 55.51 1b46 n LEU 504 Cb 0.23 -0.14 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1b46 n LEU 504 CO 0.18 0.19 0.11 -0.67 -1.33 0.00 0.00 177.39 175.88 1b46 n ASP 505 N -1.07 -4.37 -4.11 -1.43 2.03 -0.35 -4.87 116.55 102.39 1b46 n ASP 505 Ca 0.08 -0.72 -0.43 0.00 0.52 0.00 0.00 54.79 54.24 1b46 n ASP 505 Cb 0.35 -4.28 0.00 0.00 -0.72 0.00 0.00 41.12 36.48 1b46 n ASP 505 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1b46 n ASN 506 N -2.94 5.00 -4.78 1.67 3.02 -1.26 -4.98 115.26 110.99 1b46 n ASN 506 Ca -0.05 -3.02 -0.37 0.00 -0.03 0.00 0.00 54.58 51.10 1b46 n ASN 506 Cb 0.57 -1.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.14 1b46 n ASN 506 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1b46 s ILE 507 N 1.37 3.84 -0.13 2.41 -1.09 -1.26 -4.85 121.20 121.48 1b46 s ILE 507 Ca 0.43 1.54 0.01 0.00 -2.23 0.00 0.00 60.65 60.40 1b46 s ILE 507 Cb 0.06 -3.86 0.02 0.00 -1.58 0.00 0.00 42.46 37.09 1b46 s ILE 507 CO 0.00 0.13 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.36 1b46 s TYR 508 N -1.53 2.26 0.43 3.97 1.51 -1.26 -4.83 117.35 117.89 1b46 s TYR 508 Ca 0.52 -1.17 0.33 0.00 -1.01 0.00 0.00 57.07 55.75 1b46 s TYR 508 Cb -0.23 -1.60 1.71 0.00 -0.11 0.00 0.00 41.96 41.73 1b46 s TYR 508 CO 0.29 -0.59 2.14 0.28 -1.11 0.00 0.00 175.55 176.57 1b46 h VAL 509 N 5.95 0.31 0.00 0.71 2.07 -1.93 -0.89 116.25 122.47 1b46 h VAL 509 Ca -0.35 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1b46 h VAL 509 Cb 1.16 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1b46 h VAL 509 CO 0.53 0.06 0.00 0.07 0.02 0.00 0.00 177.57 178.25 1b46 h LYS 510 N 0.00 0.00 -0.01 1.57 2.10 -1.95 -2.05 116.57 116.23 1b46 h LYS 510 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1b46 h LYS 510 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1b46 h LYS 510 CO 0.01 0.00 -0.34 0.09 -2.00 0.00 0.00 179.45 177.20 1b46 n ASN 511 N -2.80 1.13 -4.98 7.07 3.02 -0.34 -0.10 115.26 118.26 1b46 n ASN 511 Ca -0.02 -0.92 -0.18 0.00 -0.03 0.00 0.00 54.58 53.43 1b46 n ASN 511 Cb 0.08 0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1b46 n ASN 511 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1b46 s LEU 512 N -2.57 3.62 -0.00 3.41 1.43 -0.77 -4.52 118.68 119.28 1b46 s LEU 512 Ca 0.21 -0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 52.58 1b46 s LEU 512 Cb 0.19 -2.53 0.06 0.00 0.03 0.00 0.00 46.19 43.94 1b46 s LEU 512 CO 0.56 -0.71 0.59 -0.72 0.23 0.00 0.00 176.35 176.30 1b46 s TYR 513 N -2.36 -0.54 -0.25 0.29 -0.85 -0.56 -4.15 117.35 108.93 1b46 s TYR 513 Ca 0.53 0.79 -0.10 0.00 -0.52 0.00 0.00 57.07 57.77 1b46 s TYR 513 Cb -0.08 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 1b46 s TYR 513 CO 0.32 -0.62 0.14 0.42 -1.52 0.00 0.00 175.55 174.29 1b46 s ILE 514 N -1.77 5.05 0.16 -3.49 -1.09 -1.26 -0.41 121.20 118.39 1b46 s ILE 514 Ca -0.09 0.07 -0.21 0.00 -2.23 0.00 0.00 60.65 58.20 1b46 s ILE 514 Cb -0.01 -3.36 -0.08 0.00 -1.58 0.00 0.00 42.46 37.43 1b46 s ILE 514 CO 0.04 0.33 0.68 -0.63 -1.23 0.00 0.00 174.94 174.13 1b46 s ILE 515 N 1.29 4.59 0.23 2.92 1.01 0.61 -0.86 121.20 130.98 1b46 s ILE 515 Ca 0.06 1.33 -0.32 0.00 0.00 0.00 0.00 60.65 61.73 1b46 s ILE 515 Cb -0.14 -3.93 -0.13 0.00 0.01 0.00 0.00 42.46 38.26 1b46 s ILE 515 CO 0.06 0.38 1.43 1.17 0.00 0.00 0.00 174.94 177.98 1b46 n LYS 516 N 1.21 2.04 0.00 2.79 4.81 -0.14 -4.31 118.16 124.57 1b46 n LYS 516 Ca -0.06 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1b46 n LYS 516 Cb 0.50 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.16 1b46 n LYS 516 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18