#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ea0 h ASN -1 N 0.00 0.00 -4.08 -3.46 -0.73 -1.68 -3.45 115.58 102.18 3ea0 h ASN -1 Ca 0.00 0.00 -0.46 0.00 1.87 0.00 0.00 56.30 57.71 3ea0 h ASN -1 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.60 3ea0 h ASN -1 CO 0.00 0.00 0.37 0.00 -0.37 0.00 0.00 177.43 177.43 3ea0 s ALA 0 N -4.09 2.93 -0.08 1.57 0.00 0.33 -4.73 121.76 117.69 3ea0 s ALA 0 Ca -0.02 0.50 0.16 0.00 0.00 0.00 0.00 51.96 52.60 3ea0 s ALA 0 Cb 0.07 -3.21 -0.24 0.00 0.00 0.00 0.00 23.12 19.74 3ea0 s ALA 0 CO 0.21 -0.18 0.24 1.17 0.00 0.00 0.00 175.76 177.20 3ea0 n LYS 1 N -0.94 0.91 -3.64 0.00 4.81 0.10 -4.99 118.16 114.41 3ea0 n LYS 1 Ca 0.08 -0.09 -0.06 0.00 -0.87 0.00 0.00 58.31 57.37 3ea0 n LYS 1 Cb 0.53 -1.41 -0.07 0.00 0.02 0.00 0.00 35.03 34.10 3ea0 n LYS 1 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3ea0 s ARG 2 N -2.84 0.44 -0.24 1.64 0.52 -1.11 -5.06 118.95 112.29 3ea0 s ARG 2 Ca -0.07 0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 55.75 3ea0 s ARG 2 Cb 0.08 0.16 0.03 0.00 0.52 0.00 0.00 34.95 35.74 3ea0 s ARG 2 CO 0.69 -0.07 -0.08 0.08 0.02 0.00 0.00 175.30 175.94 3ea0 s VAL 3 N 0.76 2.75 -0.09 3.52 1.01 -1.26 -2.42 120.40 124.67 3ea0 s VAL 3 Ca -0.03 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.83 3ea0 s VAL 3 Cb -0.04 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3ea0 s VAL 3 CO -0.11 0.20 0.09 -0.36 0.00 0.00 0.00 175.10 174.92 3ea0 s PHE 4 N 1.30 3.42 -0.05 5.22 0.08 -0.05 -1.20 117.98 126.70 3ea0 s PHE 4 Ca -0.00 0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.44 3ea0 s PHE 4 Cb -0.17 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 3ea0 s PHE 4 CO -0.05 0.63 -0.08 0.20 -0.10 0.00 0.00 175.22 175.82 3ea0 s GLY 5 N -1.11 1.69 -0.04 4.36 0.00 0.21 -0.91 107.32 111.51 3ea0 s GLY 5 Ca 0.16 -0.93 0.07 0.00 0.00 0.00 0.00 44.72 44.02 3ea0 s GLY 5 CO 0.05 -0.73 -0.25 -1.36 0.00 0.00 0.00 173.10 170.80 3ea0 s PHE 6 N -0.85 2.38 -0.01 1.90 0.08 0.66 0.62 117.98 122.76 3ea0 s PHE 6 Ca 0.13 -0.58 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 3ea0 s PHE 6 Cb -0.11 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.79 3ea0 s PHE 6 CO 0.03 -0.13 0.02 0.54 -0.10 0.00 0.00 175.22 175.58 3ea0 s VAL 7 N -0.38 0.01 -0.08 -0.44 0.11 -0.31 -0.22 120.40 119.09 3ea0 s VAL 7 Ca 0.03 -0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 58.78 3ea0 s VAL 7 Cb -0.12 -0.06 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 3ea0 s VAL 7 CO 0.01 -0.03 0.78 -0.44 -3.33 0.00 0.00 175.10 172.10 3ea0 s SER 8 N -0.07 7.04 0.22 3.54 0.01 0.10 -0.66 113.70 123.88 3ea0 s SER 8 Ca -0.01 1.26 -0.08 0.00 1.31 0.00 0.00 55.95 58.43 3ea0 s SER 8 Cb -0.01 -2.45 0.27 0.00 0.21 0.00 0.00 66.02 64.04 3ea0 s SER 8 CO -0.00 -0.22 1.84 0.00 0.41 0.00 0.00 173.24 175.27 3ea0 h ALA 9 N 6.93 1.02 -3.28 1.44 0.00 -1.39 -3.38 119.26 120.59 3ea0 h ALA 9 Ca -0.38 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.32 3ea0 h ALA 9 Cb 1.18 -0.19 -0.29 0.00 0.00 0.00 0.00 17.79 18.50 3ea0 h ALA 9 CO 0.77 0.18 -0.55 0.21 0.00 0.00 0.00 179.25 179.86 3ea0 s LYS 10 N -6.09 0.15 0.17 0.00 2.20 -1.26 -4.41 119.74 110.51 3ea0 s LYS 10 Ca -0.13 0.30 -0.34 0.00 -0.36 0.00 0.00 55.97 55.45 3ea0 s LYS 10 Cb 0.17 -0.02 -0.14 0.00 -1.51 0.00 0.00 37.83 36.32 3ea0 s LYS 10 CO 0.77 -0.09 1.48 0.41 -0.36 0.00 0.00 175.35 177.57 3ea0 n GLY 11 N 3.54 0.89 0.94 5.54 0.00 -1.26 -1.07 105.19 113.76 3ea0 n GLY 11 Ca -0.19 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3ea0 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ea0 n GLY 12 N 2.88 0.70 0.13 -0.02 0.00 -1.26 -4.96 105.19 102.66 3ea0 n GLY 12 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 3ea0 n GLY 12 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ea0 h ASP 13 N 0.00 0.00 0.00 1.61 3.32 -1.44 -3.47 116.42 116.44 3ea0 h ASP 13 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ea0 h ASP 13 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ea0 h ASP 13 CO 0.00 0.62 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 3ea0 n GLY 14 N 0.56 1.88 0.35 2.75 0.00 -1.26 -4.74 105.19 104.72 3ea0 n GLY 14 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3ea0 n GLY 14 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ea0 h GLY 15 N 0.00 -0.60 1.03 -0.02 0.00 -1.89 -1.16 103.07 100.44 3ea0 h GLY 15 Ca 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.67 3ea0 h GLY 15 CO 0.00 -0.24 0.17 1.76 0.00 0.00 0.00 176.54 178.23 3ea0 h SER 16 N -0.52 0.96 -0.55 0.19 0.02 -1.95 -1.01 113.55 110.68 3ea0 h SER 16 Ca 0.04 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 3ea0 h SER 16 Cb 0.58 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3ea0 h SER 16 CO -0.23 0.93 0.32 0.00 -1.14 0.00 0.00 176.83 176.71 3ea0 h ILE 18 N 0.74 1.35 -0.39 0.00 1.08 -1.10 -2.41 117.51 116.79 3ea0 h ILE 18 Ca 0.20 -1.58 0.05 0.00 -0.39 0.00 0.00 64.86 63.14 3ea0 h ILE 18 Cb 0.01 1.97 -0.05 0.00 -3.07 0.00 0.00 36.82 35.68 3ea0 h ILE 18 CO -0.04 0.48 0.11 0.00 -0.69 0.00 0.00 178.15 178.01 3ea0 h ALA 19 N 0.56 0.44 -0.22 1.87 0.00 -1.09 0.10 119.26 120.92 3ea0 h ALA 19 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ea0 h ALA 19 Cb 0.92 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3ea0 h ALA 19 CO 0.07 -0.29 0.13 0.00 0.00 0.00 0.00 179.25 179.16 3ea0 h ALA 20 N 1.27 0.28 0.00 0.00 0.00 -1.29 -1.17 119.26 118.35 3ea0 h ALA 20 Ca 0.18 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 3ea0 h ALA 20 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ea0 h ALA 20 CO -0.21 -0.20 -0.83 -0.91 0.00 0.00 0.00 179.25 177.11 3ea0 h ASN 21 N 0.26 0.02 -0.23 0.00 4.21 -1.23 -1.64 115.58 116.98 3ea0 h ASN 21 Ca 0.08 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.56 3ea0 h ASN 21 Cb 0.04 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 3ea0 h ASN 21 CO -0.01 0.84 0.10 0.15 -1.29 0.00 0.00 177.43 177.22 3ea0 h PHE 22 N 0.01 0.34 -0.77 1.19 3.57 -0.74 -0.69 116.94 119.85 3ea0 h PHE 22 Ca -0.01 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 3ea0 h PHE 22 Cb 1.46 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 40.06 3ea0 h PHE 22 CO 0.00 0.34 0.47 0.00 -2.23 0.00 0.00 178.31 176.89 3ea0 h ALA 23 N 0.96 1.38 -0.60 2.41 0.00 -1.02 -1.36 119.26 121.03 3ea0 h ALA 23 Ca 0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3ea0 h ALA 23 Cb 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3ea0 h ALA 23 CO -0.01 0.54 0.06 0.35 0.00 0.00 0.00 179.25 180.19 3ea0 h PHE 24 N 1.05 1.09 -0.42 0.00 3.57 -1.07 -2.27 116.94 118.90 3ea0 h PHE 24 Ca 0.28 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3ea0 h PHE 24 Cb -0.06 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 3ea0 h PHE 24 CO 0.00 0.95 0.19 0.00 -2.23 0.00 0.00 178.31 177.23 3ea0 h ALA 25 N 1.00 0.54 0.00 2.41 0.00 -0.75 -2.60 119.26 119.86 3ea0 h ALA 25 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ea0 h ALA 25 Cb 0.47 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ea0 h ALA 25 CO 0.02 0.11 -0.04 -0.07 0.00 0.00 0.00 179.25 179.27 3ea0 h LEU 26 N 0.53 0.00 -0.10 0.00 3.38 -1.06 -1.76 115.31 116.29 3ea0 h LEU 26 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ea0 h LEU 26 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ea0 h LEU 26 CO -0.02 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 3ea0 n SER 27 N -4.22 0.16 -0.01 -0.43 3.41 -0.87 -2.13 113.62 109.54 3ea0 n SER 27 Ca -0.03 -1.09 0.13 0.00 -0.26 0.00 0.00 58.87 57.63 3ea0 n SER 27 Cb 0.12 -0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.59 3ea0 n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ea0 n GLN 28 N -0.86 0.06 -1.74 4.33 1.13 -0.66 -4.75 117.38 114.90 3ea0 n GLN 28 Ca 0.23 -0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.85 3ea0 n GLN 28 Cb 0.13 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.97 3ea0 n GLN 28 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3ea0 n GLU 29 N -1.46 2.51 -1.65 -1.09 2.13 -0.90 -4.93 120.64 115.25 3ea0 n GLU 29 Ca 0.07 0.89 -0.50 0.00 0.66 0.00 0.00 57.16 58.28 3ea0 n GLU 29 Cb 0.33 -2.60 -0.05 0.00 0.27 0.00 0.00 31.44 29.39 3ea0 n GLU 29 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3ea0 n PRO 30 N 1.25 1.80 -1.16 5.31 -0.02 -1.26 -2.67 135.00 138.25 3ea0 n PRO 30 Ca 0.06 0.63 -0.05 0.00 -2.02 0.00 0.00 63.50 62.12 3ea0 n PRO 30 Cb 0.37 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.27 3ea0 n PRO 30 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ea0 n ASP 31 N 7.24 -4.63 -4.79 2.55 8.00 -1.26 -4.96 116.55 118.70 3ea0 n ASP 31 Ca 0.27 0.13 -0.36 0.00 0.71 0.00 0.00 54.79 55.54 3ea0 n ASP 31 Cb 0.26 -2.60 -0.07 0.00 -0.02 0.00 0.00 41.12 38.69 3ea0 n ASP 31 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3ea0 s ILE 32 N -1.87 4.26 -0.10 0.53 1.10 -1.09 -5.08 121.20 118.95 3ea0 s ILE 32 Ca 0.00 1.74 0.03 0.00 -0.51 0.00 0.00 60.65 61.91 3ea0 s ILE 32 Cb 0.00 -3.91 0.00 0.00 0.15 0.00 0.00 42.46 38.71 3ea0 s ILE 32 CO 0.00 0.02 -0.21 -1.00 -2.11 0.00 0.00 174.94 171.65 3ea0 s HIS 33 N -1.76 2.31 -0.00 3.50 3.76 -1.26 -4.50 115.29 117.34 3ea0 s HIS 33 Ca 0.53 -0.98 0.06 0.00 -0.15 0.00 0.00 55.06 54.52 3ea0 s HIS 33 Cb -0.16 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.94 3ea0 s HIS 33 CO 0.21 -0.42 -0.18 0.08 -0.85 0.00 0.00 174.74 173.58 3ea0 s VAL 34 N 0.52 1.44 -0.12 -0.90 1.01 -0.27 -1.18 120.40 120.91 3ea0 s VAL 34 Ca -0.16 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 60.99 3ea0 s VAL 34 Cb -0.17 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.02 3ea0 s VAL 34 CO 0.06 0.36 -0.11 -0.22 0.00 0.00 0.00 175.10 175.18 3ea0 s LEU 35 N -0.56 1.47 -0.22 3.92 2.96 -0.47 -0.55 118.68 125.22 3ea0 s LEU 35 Ca 0.07 -0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 53.52 3ea0 s LEU 35 Cb -0.07 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 3ea0 s LEU 35 CO -0.00 -0.06 0.11 0.00 -1.32 0.00 0.00 176.35 175.07 3ea0 s ALA 36 N 1.40 3.46 -0.09 5.97 0.00 -0.10 -0.62 121.76 131.78 3ea0 s ALA 36 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.13 3ea0 s ALA 36 Cb -0.13 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 20.88 3ea0 s ALA 36 CO -0.06 -0.07 -0.17 0.54 0.00 0.00 0.00 175.76 176.00 3ea0 s VAL 37 N 0.84 1.51 -0.54 0.00 0.11 0.53 -0.73 120.40 122.12 3ea0 s VAL 37 Ca 0.05 -0.68 -0.16 0.00 -2.93 0.00 0.00 61.98 58.26 3ea0 s VAL 37 Cb -0.13 -1.35 0.12 0.00 -1.53 0.00 0.00 36.38 33.49 3ea0 s VAL 37 CO 0.02 0.44 0.52 -0.62 -3.33 0.00 0.00 175.10 172.13 3ea0 s ASP 38 N 0.64 6.18 -0.34 3.54 -1.08 -0.40 -1.16 116.67 124.06 3ea0 s ASP 38 Ca -0.14 -1.68 0.08 0.00 -0.52 0.00 0.00 52.55 50.30 3ea0 s ASP 38 Cb -0.16 -2.22 0.64 0.00 -1.46 0.00 0.00 42.92 39.72 3ea0 s ASP 38 CO 0.04 -0.87 1.72 2.30 0.52 0.00 0.00 175.17 178.88 3ea0 n ILE 39 N 5.29 2.86 -2.76 4.11 -5.35 -0.60 -4.12 119.36 118.79 3ea0 n ILE 39 Ca -0.13 -2.05 -0.42 0.00 -0.27 0.00 0.00 62.75 59.88 3ea0 n ILE 39 Cb 0.41 -0.37 -0.03 0.00 -1.74 0.00 0.00 39.64 37.90 3ea0 n ILE 39 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3ea0 s SER 40 N -1.61 7.08 -0.03 7.28 0.15 -1.15 -4.76 113.70 120.65 3ea0 s SER 40 Ca 0.52 1.33 0.06 0.00 0.70 0.00 0.00 55.95 58.56 3ea0 s SER 40 Cb 0.43 -2.51 -0.01 0.00 -1.71 0.00 0.00 66.02 62.22 3ea0 s SER 40 CO 0.09 -0.50 -0.21 -0.76 1.20 0.00 0.00 173.24 173.05 3ea0 s LEU 41 N 2.46 2.02 0.36 3.45 1.43 -1.26 -2.98 118.68 124.17 3ea0 s LEU 41 Ca 0.43 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3ea0 s LEU 41 Cb -0.17 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 3ea0 s LEU 41 CO 0.12 0.24 0.56 -2.16 0.23 0.00 0.00 176.35 175.34 3ea0 s PRO 42 N -0.35 3.35 -1.14 1.29 0.05 -1.26 -4.99 135.00 131.95 3ea0 s PRO 42 Ca 0.04 -0.46 -0.07 0.00 0.05 0.00 0.00 61.00 60.56 3ea0 s PRO 42 Cb -0.10 -2.67 -0.03 0.00 0.05 0.00 0.00 34.50 31.75 3ea0 s PRO 42 CO 0.00 0.07 0.86 1.19 0.05 0.00 0.00 177.00 179.17 3ea0 n PHE 43 N -1.81 -2.19 -0.78 0.56 3.72 -1.26 -4.98 117.46 110.72 3ea0 n PHE 43 Ca -0.03 0.77 -0.31 0.00 -0.05 0.00 0.00 57.45 57.83 3ea0 n PHE 43 Cb 0.57 -4.16 0.16 0.00 -0.94 0.00 0.00 39.48 35.11 3ea0 n PHE 43 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ea0 s GLY 44 N -3.73 1.68 -0.04 1.37 0.00 -1.16 -4.98 107.32 100.46 3ea0 s GLY 44 Ca 0.31 0.53 0.10 0.00 0.00 0.00 0.00 44.72 45.66 3ea0 s GLY 44 CO 0.78 0.94 1.08 2.09 0.00 0.00 0.00 173.10 177.99 3ea0 n ASP 45 N -4.15 0.73 -0.34 1.64 5.68 -1.26 -4.69 116.55 114.17 3ea0 n ASP 45 Ca 0.11 -2.31 0.15 0.00 -0.50 0.00 0.00 54.79 52.25 3ea0 n ASP 45 Cb 0.52 -0.28 0.35 0.00 -1.14 0.00 0.00 41.12 40.57 3ea0 n ASP 45 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3ea0 h LEU 46 N 0.30 0.64 -4.35 -2.12 5.85 -1.94 -3.35 115.31 110.35 3ea0 h LEU 46 Ca -0.05 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3ea0 h LEU 46 Cb 1.42 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.48 3ea0 h LEU 46 CO 0.02 0.13 0.10 -0.90 -0.34 0.00 0.00 178.44 177.46 3ea0 n ASP 47 N -4.88 0.00 0.00 1.25 5.68 -1.26 -4.06 116.55 113.27 3ea0 n ASP 47 Ca 0.25 -0.98 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 3ea0 n ASP 47 Cb 0.68 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 3ea0 n ASP 47 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3ea0 n TYR 49 N 2.09 0.00 0.00 2.11 4.01 -1.26 -1.35 117.16 122.76 3ea0 n TYR 49 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3ea0 n TYR 49 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 3ea0 n TYR 49 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3ea0 n LEU 50 N 0.00 1.52 -3.63 7.72 4.77 -1.26 -2.99 117.00 123.14 3ea0 n LEU 50 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3ea0 n LEU 50 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3ea0 n LEU 50 CO 0.00 0.25 0.19 -0.94 -1.33 0.00 0.00 177.39 175.56 3ea0 s SER 51 N -3.49 -0.30 0.00 -1.43 1.04 -0.46 -4.28 113.70 104.78 3ea0 s SER 51 Ca 0.00 -0.10 0.25 0.00 0.48 0.00 0.00 55.95 56.58 3ea0 s SER 51 Cb 0.00 0.46 0.67 0.00 0.10 0.00 0.00 66.02 67.26 3ea0 s SER 51 CO 0.00 -0.76 1.53 0.61 0.98 0.00 0.00 173.24 175.60 3ea0 n GLY 52 N 0.16 0.55 3.55 7.32 0.00 -1.12 -4.86 105.19 110.79 3ea0 n GLY 52 Ca -0.17 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 3ea0 n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ea0 s ASN 53 N -1.85 5.67 0.28 1.61 0.01 -1.26 -5.07 114.94 114.33 3ea0 s ASN 53 Ca 0.34 -0.06 -0.30 0.00 -0.71 0.00 0.00 52.86 52.13 3ea0 s ASN 53 Cb 0.20 -2.03 -0.11 0.00 0.41 0.00 0.00 41.25 39.72 3ea0 s ASN 53 CO 0.31 -0.01 1.50 -0.89 -1.51 0.00 0.00 177.10 176.49 3ea0 s THR 54 N 1.52 2.39 0.11 1.60 2.01 -1.26 -5.03 115.64 116.98 3ea0 s THR 54 Ca 0.06 0.33 0.04 0.00 0.31 0.00 0.00 61.69 62.43 3ea0 s THR 54 Cb -0.15 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 3ea0 s THR 54 CO 0.07 0.06 0.12 -2.28 -0.69 0.00 0.00 174.62 171.89 3ea0 s HIS 55 N -0.14 3.20 0.02 4.92 2.46 -1.26 -5.05 115.29 119.44 3ea0 s HIS 55 Ca 0.60 0.05 -0.24 0.00 0.47 0.00 0.00 55.06 55.94 3ea0 s HIS 55 Cb -0.44 -1.59 -0.17 0.00 -0.13 0.00 0.00 32.58 30.25 3ea0 s HIS 55 CO 0.47 0.52 1.40 0.77 -2.47 0.00 0.00 174.74 175.43 3ea0 h SER 56 N 2.90 0.09 -2.81 9.88 0.02 -1.97 -3.45 113.55 118.21 3ea0 h SER 56 Ca -0.47 -0.37 -0.65 0.00 -0.84 0.00 0.00 61.79 59.46 3ea0 h SER 56 Cb 1.18 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.63 3ea0 h SER 56 CO 0.65 0.44 -0.50 -1.10 -1.14 0.00 0.00 176.83 175.18 3ea0 s GLN 57 N -4.72 3.38 0.22 3.45 -1.52 -1.26 -5.08 119.66 114.14 3ea0 s GLN 57 Ca -0.15 -0.30 0.02 0.00 -1.95 0.00 0.00 55.36 52.98 3ea0 s GLN 57 Cb 0.04 -3.08 -0.01 0.00 -0.22 0.00 0.00 33.01 29.73 3ea0 s GLN 57 CO 0.69 0.70 0.07 -0.40 -0.25 0.00 0.00 175.29 176.10 3ea0 n ASP 58 N 1.24 1.21 -0.26 5.90 5.68 -1.26 -4.55 116.55 124.51 3ea0 n ASP 58 Ca -0.13 -2.16 0.05 0.00 -0.50 0.00 0.00 54.79 52.05 3ea0 n ASP 58 Cb 0.53 0.52 0.19 0.00 -1.14 0.00 0.00 41.12 41.23 3ea0 n ASP 58 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3ea0 h LEU 59 N 0.00 0.35 -0.07 -2.12 5.85 -1.18 -1.79 115.31 116.35 3ea0 h LEU 59 Ca -0.17 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3ea0 h LEU 59 Cb 0.65 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 3ea0 h LEU 59 CO 0.27 0.14 0.04 0.00 -0.34 0.00 0.00 178.44 178.55 3ea0 h ALA 60 N 1.54 0.09 0.40 1.25 0.00 -1.91 -0.02 119.26 120.61 3ea0 h ALA 60 Ca 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3ea0 h ALA 60 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ea0 h ALA 60 CO -0.38 -0.37 -0.19 -0.44 0.00 0.00 0.00 179.25 177.86 3ea0 h ASP 61 N 0.01 -0.46 -0.24 0.00 3.32 -1.85 -2.34 116.42 114.86 3ea0 h ASP 61 Ca 0.02 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3ea0 h ASP 61 Cb 0.08 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3ea0 h ASP 61 CO -0.00 -0.26 -0.03 0.40 -1.72 0.00 0.00 179.24 177.63 3ea0 h ILE 62 N -0.63 1.27 -0.66 0.35 2.04 -1.32 -2.81 117.51 115.74 3ea0 h ILE 62 Ca -0.06 -0.98 0.11 0.00 1.00 0.00 0.00 64.86 64.94 3ea0 h ILE 62 Cb 0.46 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.89 3ea0 h ILE 62 CO 0.09 0.31 0.24 -1.28 0.00 0.00 0.00 178.15 177.50 3ea0 h SER 63 N 0.20 0.21 0.35 1.72 0.87 -1.06 -1.94 113.55 113.90 3ea0 h SER 63 Ca 0.07 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 3ea0 h SER 63 Cb 0.47 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 3ea0 h SER 63 CO 0.02 0.10 -0.19 0.78 -0.53 0.00 0.00 176.83 177.01 3ea0 h ASN 64 N 0.40 0.00 -0.22 6.23 2.35 -1.17 -2.57 115.58 120.60 3ea0 h ASN 64 Ca 0.35 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 3ea0 h ASN 64 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3ea0 h ASN 64 CO -0.36 0.19 0.02 0.00 -1.65 0.00 0.00 177.43 175.62 3ea0 n ALA 65 N -2.36 3.06 0.27 -0.83 0.00 -0.73 -4.45 120.51 115.47 3ea0 n ALA 65 Ca -0.02 -0.73 0.11 0.00 0.00 0.00 0.00 53.44 52.79 3ea0 n ALA 65 Cb 0.28 -1.06 0.73 0.00 0.00 0.00 0.00 19.45 19.41 3ea0 n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ea0 h SER 66 N 1.39 0.00 -0.45 0.00 4.64 -1.51 -1.02 113.55 116.60 3ea0 h SER 66 Ca 0.02 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 3ea0 h SER 66 Cb 1.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 3ea0 h SER 66 CO 0.20 0.00 0.19 0.44 -0.87 0.00 0.00 176.83 176.79 3ea0 h ASP 67 N 0.00 0.65 -0.33 4.97 3.32 -1.87 -3.00 116.42 120.15 3ea0 h ASP 67 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3ea0 h ASP 67 Cb 0.02 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3ea0 h ASP 67 CO -0.00 0.60 0.00 -1.14 -1.72 0.00 0.00 179.24 176.98 3ea0 n ARG 68 N -4.34 2.25 -2.03 3.56 0.63 -0.45 -4.95 116.66 111.32 3ea0 n ARG 68 Ca 0.04 -2.03 -0.42 0.00 -0.92 0.00 0.00 57.85 54.51 3ea0 n ARG 68 Cb 0.16 -1.39 -0.03 0.00 0.45 0.00 0.00 32.46 31.66 3ea0 n ARG 68 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3ea0 s LEU 69 N -1.19 3.47 0.36 6.15 1.43 -0.83 -4.93 118.68 123.14 3ea0 s LEU 69 Ca 0.30 1.09 0.03 0.00 -1.03 0.00 0.00 54.13 54.52 3ea0 s LEU 69 Cb 0.17 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 3ea0 s LEU 69 CO 0.24 -1.82 0.10 1.51 0.23 0.00 0.00 176.35 176.61 3ea0 s ASP 70 N 6.37 2.38 0.15 2.29 1.47 -1.26 -5.01 116.67 123.05 3ea0 s ASP 70 Ca 0.76 -1.53 -0.24 0.00 1.18 0.00 0.00 52.55 52.72 3ea0 s ASP 70 Cb -0.20 0.26 0.02 0.00 -0.34 0.00 0.00 42.92 42.66 3ea0 s ASP 70 CO 0.31 -0.80 1.61 0.50 0.68 0.00 0.00 175.17 177.48 3ea0 h LYS 71 N 1.99 -0.30 0.00 2.11 3.64 -1.99 -1.62 116.57 120.40 3ea0 h LYS 71 Ca -0.37 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.93 3ea0 h LYS 71 Cb 1.26 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 3ea0 h LYS 71 CO 0.61 -0.20 -0.46 0.66 -2.27 0.00 0.00 179.45 177.79 3ea0 h SER 72 N -0.31 0.00 0.38 4.20 4.64 -1.98 -1.72 113.55 118.76 3ea0 h SER 72 Ca 0.13 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.13 3ea0 h SER 72 Cb 0.51 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3ea0 h SER 72 CO -0.41 0.46 -1.52 0.25 -0.87 0.00 0.00 176.83 174.74 3ea0 h LEU 73 N 0.00 0.56 -1.31 5.97 5.85 -1.87 -2.90 115.31 121.61 3ea0 h LEU 73 Ca -0.00 -0.71 0.10 0.00 0.84 0.00 0.00 57.88 58.11 3ea0 h LEU 73 Cb 1.05 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 3ea0 h LEU 73 CO 0.06 1.57 0.54 0.25 -0.34 0.00 0.00 178.44 180.52 3ea0 h LEU 74 N 0.10 0.69 -1.36 2.25 5.85 -1.25 -1.29 115.31 120.30 3ea0 h LEU 74 Ca -0.25 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 3ea0 h LEU 74 Cb 2.07 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.96 3ea0 h LEU 74 CO 0.20 0.41 -0.07 -0.78 -0.34 0.00 0.00 178.44 177.86 3ea0 h ASP 75 N 0.77 0.32 0.00 1.25 1.82 -1.24 -1.49 116.42 117.85 3ea0 h ASP 75 Ca 0.38 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.96 3ea0 h ASP 75 Cb 0.45 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.38 3ea0 h ASP 75 CO -0.15 0.43 0.00 0.35 -1.61 0.00 0.00 179.24 178.26 3ea0 n THR 76 N -4.29 0.19 -0.08 2.25 -2.24 -0.49 -4.94 114.28 104.69 3ea0 n THR 76 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3ea0 n THR 76 Cb 0.25 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 3ea0 n THR 76 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3ea0 n VAL 78 N 0.13 0.00 -3.10 2.28 0.24 -0.56 -5.02 118.33 112.29 3ea0 n VAL 78 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 3ea0 n VAL 78 Cb 0.28 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.60 3ea0 n VAL 78 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3ea0 s GLN 79 N -0.50 4.40 -0.39 7.34 0.74 0.48 -4.90 119.66 126.84 3ea0 s GLN 79 Ca 0.00 0.87 -0.18 0.00 0.05 0.00 0.00 55.36 56.10 3ea0 s GLN 79 Cb 0.00 -3.37 0.01 0.00 1.10 0.00 0.00 33.01 30.75 3ea0 s GLN 79 CO 0.00 0.29 0.51 -1.58 -0.55 0.00 0.00 175.29 173.95 3ea0 s HIS 80 N 0.03 3.15 -0.17 1.67 5.65 -1.26 -0.05 115.29 124.31 3ea0 s HIS 80 Ca 0.35 -0.03 -0.14 0.00 0.25 0.00 0.00 55.06 55.49 3ea0 s HIS 80 Cb -0.19 -2.99 -0.22 0.00 -1.18 0.00 0.00 32.58 28.00 3ea0 s HIS 80 CO 0.19 -0.64 0.25 -0.89 -0.65 0.00 0.00 174.74 173.01 3ea0 n ILE 81 N 5.50 1.66 -3.85 0.89 2.08 -0.39 -5.00 119.36 120.25 3ea0 n ILE 81 Ca -0.05 -0.36 -0.10 0.00 0.56 0.00 0.00 62.75 62.80 3ea0 n ILE 81 Cb 0.48 -1.87 -0.01 0.00 -0.75 0.00 0.00 39.64 37.49 3ea0 n ILE 81 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3ea0 n SER 82 N -3.94 -1.31 0.28 4.38 3.41 -0.99 -4.97 113.62 110.48 3ea0 n SER 82 Ca -0.33 -2.43 0.17 0.00 -0.26 0.00 0.00 58.87 56.02 3ea0 n SER 82 Cb 0.87 2.33 0.94 0.00 -0.26 0.00 0.00 64.21 68.10 3ea0 n SER 82 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3ea0 h PRO 83 N 0.00 0.00 -0.06 4.33 0.11 -1.97 -3.03 132.00 131.38 3ea0 h PRO 83 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3ea0 h PRO 83 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3ea0 h PRO 83 CO 0.31 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.97 3ea0 n SER 84 N -3.64 1.83 -3.71 -2.05 3.41 -1.26 -4.93 113.62 103.28 3ea0 n SER 84 Ca -0.01 -1.62 -0.19 0.00 -0.26 0.00 0.00 58.87 56.78 3ea0 n SER 84 Cb 0.17 -0.04 -0.17 0.00 -0.26 0.00 0.00 64.21 63.91 3ea0 n SER 84 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ea0 s LEU 85 N -0.68 0.44 0.24 1.04 2.96 -1.14 -1.11 118.68 120.42 3ea0 s LEU 85 Ca 0.06 0.05 0.10 0.00 -0.22 0.00 0.00 54.13 54.12 3ea0 s LEU 85 Cb 0.03 -0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.52 3ea0 s LEU 85 CO 0.04 -0.21 -0.11 -1.81 -1.32 0.00 0.00 176.35 172.94 3ea0 s ASP 86 N 1.86 4.07 -0.00 3.68 -0.00 0.29 -1.26 116.67 125.30 3ea0 s ASP 86 Ca 0.01 -0.77 0.00 0.00 -0.00 0.00 0.00 52.55 51.80 3ea0 s ASP 86 Cb -0.12 -0.59 0.00 0.00 -0.00 0.00 0.00 42.92 42.21 3ea0 s ASP 86 CO -0.03 0.05 -0.01 -0.22 -0.00 0.00 0.00 175.17 174.96 3ea0 s LEU 87 N -3.31 1.90 -0.31 1.23 2.96 0.93 -0.92 118.68 121.15 3ea0 s LEU 87 Ca 0.28 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.21 3ea0 s LEU 87 Cb -0.07 -0.06 0.08 0.00 0.50 0.00 0.00 46.19 46.64 3ea0 s LEU 87 CO 0.16 -0.00 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.56 3ea0 s ILE 88 N 0.10 2.34 0.63 6.68 1.01 0.10 -0.39 121.20 131.68 3ea0 s ILE 88 Ca -0.01 -2.03 -0.10 0.00 0.00 0.00 0.00 60.65 58.51 3ea0 s ILE 88 Cb -0.02 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 3ea0 s ILE 88 CO -0.00 -0.38 1.02 -2.16 0.00 0.00 0.00 174.94 173.42 3ea0 s PRO 89 N 1.01 3.28 0.62 2.79 0.04 -1.26 -1.27 135.00 140.20 3ea0 s PRO 89 Ca 0.03 0.53 -0.17 0.00 0.04 0.00 0.00 61.00 61.42 3ea0 s PRO 89 Cb -0.20 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 3ea0 s PRO 89 CO -0.06 -0.71 1.16 0.45 0.04 0.00 0.00 177.00 177.88 3ea0 s SER 90 N -4.25 5.18 0.19 6.66 0.15 -1.26 -0.72 113.70 119.66 3ea0 s SER 90 Ca 0.55 2.22 -0.33 0.00 0.70 0.00 0.00 55.95 59.09 3ea0 s SER 90 Cb -0.11 -2.58 -0.13 0.00 -1.71 0.00 0.00 66.02 61.49 3ea0 s SER 90 CO 0.52 -1.59 1.65 -2.65 1.20 0.00 0.00 173.24 172.36 3ea0 n PRO 91 N -1.89 2.48 0.03 5.44 -0.02 -1.26 -4.61 135.00 135.17 3ea0 n PRO 91 Ca 0.12 0.90 -0.07 0.00 -2.02 0.00 0.00 63.50 62.43 3ea0 n PRO 91 Cb 0.51 -2.70 0.11 0.00 -0.02 0.00 0.00 33.50 31.40 3ea0 n PRO 91 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ea0 h ALA 92 N 6.23 0.85 -2.27 3.55 0.00 -1.98 -3.41 119.26 122.23 3ea0 h ALA 92 Ca -0.44 -0.48 -0.61 0.00 0.00 0.00 0.00 54.91 53.38 3ea0 h ALA 92 Cb 1.23 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 3ea0 h ALA 92 CO 0.91 0.66 -0.76 0.95 0.00 0.00 0.00 179.25 181.02 3ea0 s THR 93 N -4.07 2.49 0.27 0.00 -4.23 -1.26 -4.97 115.64 103.88 3ea0 s THR 93 Ca -0.06 -2.38 -0.03 0.00 -1.18 0.00 0.00 61.69 58.03 3ea0 s THR 93 Cb 0.12 -2.30 0.23 0.00 1.34 0.00 0.00 72.50 71.89 3ea0 s THR 93 CO 0.82 -0.38 1.92 0.15 -0.54 0.00 0.00 174.62 176.58 3ea0 h PHE 94 N 2.32 1.09 -0.76 3.99 3.57 -2.01 -2.69 116.94 122.44 3ea0 h PHE 94 Ca -0.40 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.21 3ea0 h PHE 94 Cb 1.26 -0.36 -0.08 0.00 2.79 0.00 0.00 35.95 39.56 3ea0 h PHE 94 CO 0.80 0.73 0.36 1.49 -2.23 0.00 0.00 178.31 179.46 3ea0 h GLU 95 N 1.13 0.55 -0.04 1.11 4.57 -1.99 -1.94 114.58 117.97 3ea0 h GLU 95 Ca 0.29 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3ea0 h GLU 95 Cb -0.03 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 3ea0 h GLU 95 CO -0.05 0.36 0.02 0.87 -1.18 0.00 0.00 179.01 179.03 3ea0 h LYS 96 N 0.56 0.06 -0.38 1.92 1.79 -1.89 -3.19 116.57 115.45 3ea0 h LYS 96 Ca 0.40 -0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.94 3ea0 h LYS 96 Cb 0.52 -0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 31.07 3ea0 h LYS 96 CO -0.33 0.19 -0.27 0.82 -1.08 0.00 0.00 179.45 178.78 3ea0 h ILE 97 N -0.09 0.31 -0.55 1.86 2.04 -1.23 0.14 117.51 119.98 3ea0 h ILE 97 Ca 0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.97 3ea0 h ILE 97 Cb 0.16 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 3ea0 h ILE 97 CO -0.00 0.00 0.37 0.58 0.00 0.00 0.00 178.15 179.10 3ea0 h VAL 98 N -0.21 0.89 0.00 1.67 2.07 -1.51 -1.54 116.25 117.61 3ea0 h VAL 98 Ca 0.18 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3ea0 h VAL 98 Cb 0.50 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3ea0 h VAL 98 CO -0.50 0.06 0.00 0.59 0.02 0.00 0.00 177.57 177.74 3ea0 n ASN 99 N -4.46 0.00 -4.72 0.57 3.02 0.03 -4.87 115.26 104.83 3ea0 n ASN 99 Ca 0.09 -0.85 -0.42 0.00 -0.03 0.00 0.00 54.58 53.37 3ea0 n ASN 99 Cb 0.38 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 3ea0 n ASN 99 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ea0 s ILE 100 N -2.07 3.23 -0.29 2.41 -1.09 -0.58 -5.01 121.20 117.81 3ea0 s ILE 100 Ca 0.43 0.89 -0.09 0.00 -2.23 0.00 0.00 60.65 59.66 3ea0 s ILE 100 Cb 0.21 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.50 3ea0 s ILE 100 CO 0.36 0.07 0.13 -1.61 -1.23 0.00 0.00 174.94 172.66 3ea0 s GLU 101 N 1.03 3.43 0.53 2.79 2.02 -1.26 -5.00 118.70 122.25 3ea0 s GLU 101 Ca 0.65 -0.64 0.18 0.00 0.02 0.00 0.00 54.97 55.17 3ea0 s GLU 101 Cb -0.37 -3.49 1.34 0.00 0.10 0.00 0.00 34.13 31.70 3ea0 s GLU 101 CO 0.31 -0.35 2.15 -1.35 0.02 0.00 0.00 175.26 176.04 3ea0 h PRO 102 N 8.31 0.00 -0.35 0.39 0.11 -1.93 -1.70 132.00 136.84 3ea0 h PRO 102 Ca -0.34 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.66 3ea0 h PRO 102 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3ea0 h PRO 102 CO 0.60 0.00 -0.25 0.93 -0.21 0.00 0.00 178.00 179.07 3ea0 h GLU 103 N 0.00 0.70 -0.02 1.05 5.08 -1.94 -1.90 114.58 117.55 3ea0 h GLU 103 Ca 0.01 -0.29 -0.16 0.00 -1.00 0.00 0.00 59.36 57.92 3ea0 h GLU 103 Cb 0.06 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3ea0 h GLU 103 CO -0.00 0.88 -0.73 0.00 -1.00 0.00 0.00 179.01 178.16 3ea0 h ARG 104 N 0.60 0.14 -0.18 2.33 3.08 -1.65 0.19 114.38 118.89 3ea0 h ARG 104 Ca 0.08 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 3ea0 h ARG 104 Cb 0.74 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3ea0 h ARG 104 CO 0.06 0.81 -0.37 0.28 -1.07 0.00 0.00 179.97 179.68 3ea0 h VAL 105 N 0.09 1.29 0.52 2.04 2.07 -1.36 0.16 116.25 121.06 3ea0 h VAL 105 Ca -0.02 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 3ea0 h VAL 105 Cb 1.29 1.56 0.01 0.00 -1.52 0.00 0.00 31.29 32.63 3ea0 h VAL 105 CO 0.11 0.45 -0.25 -1.28 0.02 0.00 0.00 177.57 176.62 3ea0 h SER 106 N 0.33 -0.59 -0.81 0.57 0.87 -0.86 -2.78 113.55 110.28 3ea0 h SER 106 Ca 0.04 -0.06 0.16 0.00 -1.23 0.00 0.00 61.79 60.70 3ea0 h SER 106 Cb 0.80 0.15 -0.15 0.00 -0.44 0.00 0.00 62.40 62.76 3ea0 h SER 106 CO 0.06 -0.27 -0.21 0.44 -0.53 0.00 0.00 176.83 176.33 3ea0 h ASP 107 N -0.94 -0.77 -0.26 6.23 3.45 -0.54 -1.89 116.42 121.70 3ea0 h ASP 107 Ca -0.07 0.24 0.06 0.00 0.43 0.00 0.00 57.03 57.69 3ea0 h ASP 107 Cb 0.62 0.51 -0.07 0.00 -0.56 0.00 0.00 39.33 39.83 3ea0 h ASP 107 CO 0.12 -0.27 -0.19 0.25 -1.57 0.00 0.00 179.24 177.58 3ea0 h LEU 108 N -0.00 -0.62 -0.34 1.55 5.85 -0.53 0.63 115.31 121.85 3ea0 h LEU 108 Ca 0.39 0.13 -0.14 0.00 0.84 0.00 0.00 57.88 59.09 3ea0 h LEU 108 Cb 0.59 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 3ea0 h LEU 108 CO -0.84 -0.23 -0.67 0.16 -0.34 0.00 0.00 178.44 176.53 3ea0 h ILE 109 N -0.18 1.27 -0.54 4.05 -0.00 -1.17 0.41 117.51 121.35 3ea0 h ILE 109 Ca 0.14 -2.46 -0.01 0.00 -0.00 0.00 0.00 64.86 62.53 3ea0 h ILE 109 Cb 0.40 2.41 -0.03 0.00 -0.00 0.00 0.00 36.82 39.60 3ea0 h ILE 109 CO -0.37 0.65 0.31 -0.74 -0.00 0.00 0.00 178.15 178.01 3ea0 h HIS 110 N 0.00 0.72 0.32 0.16 2.76 -0.91 -0.92 115.15 117.28 3ea0 h HIS 110 Ca -0.01 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 3ea0 h HIS 110 Cb 1.36 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 30.09 3ea0 h HIS 110 CO 0.00 0.51 -0.15 0.82 -1.30 0.00 0.00 177.93 177.81 3ea0 h ILE 111 N 0.72 0.70 -0.94 6.26 2.04 -0.60 -2.95 117.51 122.75 3ea0 h ILE 111 Ca 0.19 -0.42 0.20 0.00 1.00 0.00 0.00 64.86 65.83 3ea0 h ILE 111 Cb 0.01 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 3ea0 h ILE 111 CO -0.03 0.08 0.61 0.00 0.00 0.00 0.00 178.15 178.81 3ea0 h ALA 112 N -0.07 2.06 -0.05 1.87 0.00 -0.86 0.31 119.26 122.52 3ea0 h ALA 112 Ca -0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ea0 h ALA 112 Cb 0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ea0 h ALA 112 CO 0.07 -0.37 0.06 0.00 0.00 0.00 0.00 179.25 179.01 3ea0 h ALA 113 N 1.61 1.62 0.00 0.00 0.00 -0.98 0.34 119.26 121.85 3ea0 h ALA 113 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3ea0 h ALA 113 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ea0 h ALA 113 CO -0.23 -0.08 0.00 0.45 0.00 0.00 0.00 179.25 179.39 3ea0 n SER 114 N -3.85 0.00 0.00 0.00 2.88 0.11 -0.52 113.62 112.24 3ea0 n SER 114 Ca -0.02 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 3ea0 n SER 114 Cb 0.15 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 3ea0 n SER 114 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3ea0 n PHE 115 N -1.44 0.00 -4.30 0.66 3.72 0.10 -4.13 117.46 112.07 3ea0 n PHE 115 Ca 0.08 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.22 3ea0 n PHE 115 Cb 0.27 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.72 3ea0 n PHE 115 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3ea0 s TYR 116 N -1.50 2.64 -0.07 1.38 2.02 -0.09 -4.99 117.35 116.74 3ea0 s TYR 116 Ca 0.00 -0.23 -0.19 0.00 -0.37 0.00 0.00 57.07 56.28 3ea0 s TYR 116 Cb 0.00 -1.24 -0.29 0.00 -0.40 0.00 0.00 41.96 40.02 3ea0 s TYR 116 CO 0.00 0.56 0.74 -0.44 -1.57 0.00 0.00 175.55 174.84 3ea0 h ASP 117 N 2.55 0.42 -4.38 2.29 3.32 -1.43 -3.17 116.42 116.02 3ea0 h ASP 117 Ca -0.45 -0.90 -0.58 0.00 0.02 0.00 0.00 57.03 55.11 3ea0 h ASP 117 Cb 1.22 -0.14 -0.29 0.00 0.22 0.00 0.00 39.33 40.34 3ea0 h ASP 117 CO 0.57 1.49 -0.85 -0.31 -1.72 0.00 0.00 179.24 178.42 3ea0 s TYR 118 N -2.45 1.73 -0.10 4.55 2.02 -1.11 0.02 117.35 122.02 3ea0 s TYR 118 Ca -0.16 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.23 3ea0 s TYR 118 Cb 0.02 -1.11 0.01 0.00 -0.40 0.00 0.00 41.96 40.49 3ea0 s TYR 118 CO 0.80 -0.02 -0.18 0.42 -1.57 0.00 0.00 175.55 175.00 3ea0 s ILE 119 N -0.48 1.64 -0.24 2.71 1.01 -1.01 -1.37 121.20 123.46 3ea0 s ILE 119 Ca 0.07 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 3ea0 s ILE 119 Cb -0.08 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.96 3ea0 s ILE 119 CO -0.01 0.47 -0.08 -0.63 0.00 0.00 0.00 174.94 174.69 3ea0 s ILE 120 N 0.65 2.80 -0.22 2.92 -1.09 0.20 -0.87 121.20 125.59 3ea0 s ILE 120 Ca -0.13 -0.98 -0.07 0.00 -2.23 0.00 0.00 60.65 57.24 3ea0 s ILE 120 Cb -0.16 -2.39 -0.03 0.00 -1.58 0.00 0.00 42.46 38.30 3ea0 s ILE 120 CO 0.04 0.25 0.04 -0.69 -1.23 0.00 0.00 174.94 173.35 3ea0 s VAL 121 N 1.33 4.28 -0.34 2.92 1.01 -0.09 -0.35 120.40 129.16 3ea0 s VAL 121 Ca 0.01 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 3ea0 s VAL 121 Cb -0.16 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 3ea0 s VAL 121 CO -0.05 0.39 0.47 -0.62 0.00 0.00 0.00 175.10 175.28 3ea0 s ASP 122 N 1.17 6.28 0.25 3.32 -1.08 -0.31 -0.25 116.67 126.06 3ea0 s ASP 122 Ca 0.04 -0.04 0.19 0.00 -0.52 0.00 0.00 52.55 52.23 3ea0 s ASP 122 Cb -0.14 -2.25 0.07 0.00 -1.46 0.00 0.00 42.92 39.14 3ea0 s ASP 122 CO 0.03 -0.42 1.25 -0.26 0.52 0.00 0.00 175.17 176.29 3ea0 h PHE 123 N 8.42 0.00 0.00 -5.34 -1.00 -0.91 -1.56 116.94 116.56 3ea0 h PHE 123 Ca -0.29 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.49 3ea0 h PHE 123 Cb 1.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.69 3ea0 h PHE 123 CO 0.72 0.27 0.00 0.41 -1.61 0.00 0.00 178.31 178.09 3ea0 n GLY 124 N 1.22 0.12 1.25 -1.45 0.00 -1.26 -4.22 105.19 100.84 3ea0 n GLY 124 Ca -0.00 -1.82 0.02 0.00 0.00 0.00 0.00 46.02 44.21 3ea0 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ea0 n ALA 125 N 0.02 3.72 -3.57 4.61 0.00 -1.26 0.01 120.51 124.04 3ea0 n ALA 125 Ca 0.00 -2.51 -0.09 0.00 0.00 0.00 0.00 53.44 50.84 3ea0 n ALA 125 Cb 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 3ea0 n ALA 125 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ea0 s SER 126 N -1.84 -0.39 -0.46 0.00 0.15 -1.26 -4.76 113.70 105.15 3ea0 s SER 126 Ca 0.46 -0.16 -0.14 0.00 0.70 0.00 0.00 55.95 56.81 3ea0 s SER 126 Cb 0.38 0.53 0.07 0.00 -1.71 0.00 0.00 66.02 65.30 3ea0 s SER 126 CO 0.08 -0.91 0.36 -0.63 1.20 0.00 0.00 173.24 173.34 3ea0 s ILE 127 N -3.50 4.99 0.00 6.45 1.01 -1.26 -4.87 121.20 124.01 3ea0 s ILE 127 Ca 0.06 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.57 3ea0 s ILE 127 Cb -0.02 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3ea0 s ILE 127 CO -0.06 -0.55 0.00 -0.90 0.00 0.00 0.00 174.94 173.43 3ea0 n ASP 128 N 5.13 0.24 0.29 3.58 3.85 -1.26 -4.77 116.55 123.61 3ea0 n ASP 128 Ca -0.12 -0.74 0.14 0.00 -0.71 0.00 0.00 54.79 53.36 3ea0 n ASP 128 Cb 0.44 0.00 0.88 0.00 -1.35 0.00 0.00 41.12 41.08 3ea0 n ASP 128 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.20 177.31 3ea0 h HIS 129 N 0.09 0.00 0.04 2.11 2.07 -2.01 -0.36 115.15 117.09 3ea0 h HIS 129 Ca 0.00 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.27 3ea0 h HIS 129 Cb 0.00 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 29.95 3ea0 h HIS 129 CO 0.00 0.02 -1.37 0.28 -3.07 0.00 0.00 177.93 173.79 3ea0 h VAL 130 N 0.00 0.90 -1.01 6.12 2.07 -1.94 -3.38 116.25 119.00 3ea0 h VAL 130 Ca -0.00 -2.24 0.24 0.00 0.82 0.00 0.00 66.70 65.52 3ea0 h VAL 130 Cb 0.06 2.37 -0.10 0.00 -1.52 0.00 0.00 31.29 32.10 3ea0 h VAL 130 CO 0.00 0.47 0.64 1.23 0.02 0.00 0.00 177.57 179.94 3ea0 h GLY 131 N -0.49 1.38 1.16 2.17 0.00 -1.73 -1.39 103.07 104.16 3ea0 h GLY 131 Ca -0.35 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 46.77 3ea0 h GLY 131 CO -0.12 -0.12 0.48 -0.39 0.00 0.00 0.00 176.54 176.39 3ea0 h VAL 132 N 0.49 1.11 0.00 4.60 -1.51 -1.26 -1.95 116.25 117.72 3ea0 h VAL 132 Ca 0.58 -0.30 -0.12 0.00 -1.23 0.00 0.00 66.70 65.63 3ea0 h VAL 132 Cb 1.32 0.14 -0.02 0.00 -2.13 0.00 0.00 31.29 30.60 3ea0 h VAL 132 CO -0.32 0.16 -0.56 -0.50 -1.23 0.00 0.00 177.57 175.11 3ea0 h TRP 133 N 0.89 0.00 0.00 5.19 4.06 -1.46 -3.23 115.95 121.41 3ea0 h TRP 133 Ca 0.29 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.15 3ea0 h TRP 133 Cb 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.21 3ea0 h TRP 133 CO -0.00 0.56 -0.58 0.28 -3.56 0.00 0.00 178.44 175.14 3ea0 h VAL 134 N 0.00 0.64 -0.78 1.49 2.07 -1.36 -3.35 116.25 114.96 3ea0 h VAL 134 Ca -0.01 -1.95 0.20 0.00 0.82 0.00 0.00 66.70 65.76 3ea0 h VAL 134 Cb 1.07 2.26 -0.04 0.00 -1.52 0.00 0.00 31.29 33.06 3ea0 h VAL 134 CO 0.07 0.37 0.54 -0.07 0.02 0.00 0.00 177.57 178.50 3ea0 h LEU 135 N 0.00 0.19 -1.25 2.57 3.38 -1.50 -1.79 115.31 116.90 3ea0 h LEU 135 Ca -0.03 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3ea0 h LEU 135 Cb 1.34 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 3ea0 h LEU 135 CO 0.05 0.08 -0.17 -0.08 0.09 0.00 0.00 178.44 178.41 3ea0 h GLU 136 N 0.19 0.30 -0.00 1.13 4.81 -1.80 -2.76 114.58 116.46 3ea0 h GLU 136 Ca 0.38 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3ea0 h GLU 136 Cb 1.22 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3ea0 h GLU 136 CO -0.07 0.47 -0.04 0.72 -0.73 0.00 0.00 179.01 179.36 3ea0 n HIS 137 N -4.22 0.00 -2.47 0.92 -0.00 -0.67 -4.86 115.22 103.92 3ea0 n HIS 137 Ca -0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.33 3ea0 n HIS 137 Cb 0.31 -0.33 -0.04 0.00 -0.00 0.00 0.00 29.99 29.94 3ea0 n HIS 137 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3ea0 s LEU 138 N -2.69 4.37 -0.09 2.41 1.43 -1.04 -4.72 118.68 118.35 3ea0 s LEU 138 Ca 0.24 2.21 0.20 0.00 -1.03 0.00 0.00 54.13 55.75 3ea0 s LEU 138 Cb 0.20 -3.86 -0.28 0.00 0.03 0.00 0.00 46.19 42.28 3ea0 s LEU 138 CO 0.49 -0.33 0.35 0.47 0.23 0.00 0.00 176.35 177.57 3ea0 n ASP 139 N 0.64 0.07 -3.72 2.29 8.00 -0.34 -4.60 116.55 118.88 3ea0 n ASP 139 Ca 0.02 0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.43 3ea0 n ASP 139 Cb 0.46 1.45 -0.11 0.00 -0.02 0.00 0.00 41.12 42.90 3ea0 n ASP 139 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ea0 s GLU 140 N -3.07 0.36 -0.22 -1.24 2.12 -1.13 -3.55 118.70 111.97 3ea0 s GLU 140 Ca -0.08 0.63 -0.02 0.00 0.36 0.00 0.00 54.97 55.86 3ea0 s GLU 140 Cb 0.10 0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.54 3ea0 s GLU 140 CO 0.87 -0.12 -0.09 -1.17 -0.54 0.00 0.00 175.26 174.21 3ea0 s LEU 141 N 0.94 2.78 -0.36 2.70 0.20 -0.35 -0.62 118.68 123.98 3ea0 s LEU 141 Ca -0.06 -0.58 -0.13 0.00 0.69 0.00 0.00 54.13 54.05 3ea0 s LEU 141 Cb -0.07 -1.66 -0.00 0.00 -0.43 0.00 0.00 46.19 44.04 3ea0 s LEU 141 CO -0.07 -0.04 0.24 0.00 -0.29 0.00 0.00 176.35 176.18 3ea0 s ILE 143 N 1.67 5.11 -0.21 0.00 1.01 -0.15 -1.16 121.20 127.49 3ea0 s ILE 143 Ca 0.05 0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.96 3ea0 s ILE 143 Cb -0.18 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3ea0 s ILE 143 CO 0.09 -0.03 0.31 -0.69 0.00 0.00 0.00 174.94 174.62 3ea0 s VAL 144 N 2.18 5.27 0.21 2.92 1.01 0.16 -1.08 120.40 131.07 3ea0 s VAL 144 Ca 0.16 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.67 3ea0 s VAL 144 Cb -0.16 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3ea0 s VAL 144 CO 0.11 0.30 0.05 0.28 0.00 0.00 0.00 175.10 175.84 3ea0 s THR 145 N 1.08 0.62 0.35 3.92 -1.32 -0.49 -1.02 115.64 118.78 3ea0 s THR 145 Ca 0.15 -1.99 0.06 0.00 -1.21 0.00 0.00 61.69 58.69 3ea0 s THR 145 Cb -0.14 -2.36 -0.07 0.00 -1.51 0.00 0.00 72.50 68.42 3ea0 s THR 145 CO 0.06 -0.25 0.02 0.42 -2.21 0.00 0.00 174.62 172.66 3ea0 s THR 146 N -3.70 1.57 -1.49 5.08 -4.23 -1.26 -0.28 115.64 111.33 3ea0 s THR 146 Ca 0.31 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 58.70 3ea0 s THR 146 Cb 0.07 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 71.12 3ea0 s THR 146 CO 0.09 -0.06 2.63 -2.65 -0.54 0.00 0.00 174.62 174.09 3ea0 n PRO 147 N -0.77 3.95 -4.31 3.99 -0.02 -1.26 -4.39 135.00 132.19 3ea0 n PRO 147 Ca -0.04 -2.76 -0.23 0.00 -2.02 0.00 0.00 63.50 58.45 3ea0 n PRO 147 Cb 0.66 -2.79 -0.12 0.00 -0.02 0.00 0.00 33.50 31.23 3ea0 n PRO 147 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ea0 s SER 148 N 1.53 2.64 0.19 2.55 1.04 -1.26 -4.73 113.70 115.66 3ea0 s SER 148 Ca 0.61 -0.79 -0.12 0.00 0.48 0.00 0.00 55.95 56.12 3ea0 s SER 148 Cb 0.17 -0.15 0.17 0.00 0.10 0.00 0.00 66.02 66.31 3ea0 s SER 148 CO -0.07 0.01 1.78 -0.07 0.98 0.00 0.00 173.24 175.86 3ea0 h LEU 149 N 3.59 0.35 -0.04 2.42 -0.00 -1.99 -1.38 115.31 118.25 3ea0 h LEU 149 Ca -0.44 0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 57.48 3ea0 h LEU 149 Cb 1.20 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.83 3ea0 h LEU 149 CO 0.46 0.24 0.02 1.56 -0.00 0.00 0.00 178.44 180.72 3ea0 h GLN 150 N 0.50 0.06 -0.77 1.13 7.50 -1.96 -0.79 115.11 120.76 3ea0 h GLN 150 Ca 0.24 -0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.40 3ea0 h GLN 150 Cb 0.18 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.65 3ea0 h GLN 150 CO -0.18 0.15 0.51 1.03 -1.50 0.00 0.00 178.83 178.83 3ea0 h SER 151 N -0.04 0.86 -0.26 1.46 0.87 -1.83 -1.96 113.55 112.64 3ea0 h SER 151 Ca 0.01 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3ea0 h SER 151 Cb 0.11 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3ea0 h SER 151 CO -0.00 0.61 0.14 0.25 -0.53 0.00 0.00 176.83 177.30 3ea0 h LEU 152 N 1.01 0.33 -0.76 2.23 6.46 -0.99 -1.08 115.31 122.51 3ea0 h LEU 152 Ca 0.29 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 3ea0 h LEU 152 Cb -0.07 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.74 3ea0 h LEU 152 CO -0.08 0.33 0.49 -0.09 -0.62 0.00 0.00 178.44 178.47 3ea0 h ARG 153 N 0.31 1.02 0.00 1.25 2.43 -0.97 -1.70 114.38 116.71 3ea0 h ARG 153 Ca 0.09 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3ea0 h ARG 153 Cb 0.07 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3ea0 h ARG 153 CO -0.01 0.68 -0.16 -0.09 -1.51 0.00 0.00 179.97 178.88 3ea0 h ARG 154 N 1.04 0.00 -0.09 0.20 2.43 -1.14 -0.12 114.38 116.71 3ea0 h ARG 154 Ca 0.28 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 3ea0 h ARG 154 Cb -0.10 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3ea0 h ARG 154 CO -0.06 0.16 -0.10 0.00 -1.51 0.00 0.00 179.97 178.46 3ea0 h ALA 155 N 1.84 0.13 -0.53 2.80 0.00 -0.96 -1.55 119.26 120.98 3ea0 h ALA 155 Ca -0.00 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.71 3ea0 h ALA 155 Cb 0.95 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 3ea0 h ALA 155 CO 0.02 -0.02 -0.12 0.78 0.00 0.00 0.00 179.25 179.91 3ea0 h GLY 156 N -0.21 0.40 0.70 0.00 0.00 -0.89 -0.62 103.07 102.45 3ea0 h GLY 156 Ca 0.01 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.53 3ea0 h GLY 156 CO 0.02 -0.20 -0.08 1.46 0.00 0.00 0.00 176.54 177.75 3ea0 h GLN 157 N 0.01 -0.10 -0.83 4.80 4.20 -0.94 0.14 115.11 122.39 3ea0 h GLN 157 Ca 0.26 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.06 3ea0 h GLN 157 Cb 0.39 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.14 3ea0 h GLN 157 CO -0.53 -0.07 0.54 1.25 -0.67 0.00 0.00 178.83 179.35 3ea0 h LEU 158 N -0.11 0.75 0.12 1.46 6.46 -0.79 -2.11 115.31 121.09 3ea0 h LEU 158 Ca 0.06 0.01 -0.30 0.00 -0.12 0.00 0.00 57.88 57.54 3ea0 h LEU 158 Cb 0.19 -0.15 0.02 0.00 -0.73 0.00 0.00 40.66 40.00 3ea0 h LEU 158 CO -0.14 0.46 -1.27 -0.07 -0.62 0.00 0.00 178.44 176.81 3ea0 h LEU 159 N 0.84 0.74 -1.81 2.25 3.38 -0.62 -2.14 115.31 117.96 3ea0 h LEU 159 Ca 0.37 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 3ea0 h LEU 159 Cb 0.34 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3ea0 h LEU 159 CO -0.14 1.54 -0.12 0.50 0.09 0.00 0.00 178.44 180.31 3ea0 h LYS 160 N 0.20 0.00 0.20 1.13 3.64 -0.71 -2.29 116.57 118.74 3ea0 h LYS 160 Ca -0.18 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 3ea0 h LYS 160 Cb 1.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 3ea0 h LYS 160 CO 0.23 0.12 -0.09 1.25 -2.27 0.00 0.00 179.45 178.69 3ea0 h LEU 161 N 0.00 -0.22 -1.47 5.20 5.85 -1.26 -3.26 115.31 120.15 3ea0 h LEU 161 Ca -0.00 -0.28 0.14 0.00 0.84 0.00 0.00 57.88 58.58 3ea0 h LEU 161 Cb 0.22 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 3ea0 h LEU 161 CO 0.02 0.20 0.53 0.00 -0.34 0.00 0.00 178.44 178.84 3ea0 n LYS 163 N -4.51 0.49 0.00 0.00 5.02 -0.91 -2.38 118.16 115.88 3ea0 n LYS 163 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 3ea0 n LYS 163 Cb 0.50 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 3ea0 n LYS 163 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3ea0 n GLU 164 N -0.33 0.91 -2.48 1.97 2.13 0.04 -5.07 120.64 117.81 3ea0 n GLU 164 Ca 0.00 -0.77 -0.30 0.00 0.66 0.00 0.00 57.16 56.75 3ea0 n GLU 164 Cb 0.03 -0.73 -0.01 0.00 0.27 0.00 0.00 31.44 31.00 3ea0 n GLU 164 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 3ea0 s PHE 165 N -0.34 3.54 -0.02 4.31 0.40 -1.00 -5.01 117.98 119.85 3ea0 s PHE 165 Ca 0.00 1.08 -0.25 0.00 -0.60 0.00 0.00 56.93 57.16 3ea0 s PHE 165 Cb 0.00 -2.51 -0.19 0.00 0.51 0.00 0.00 43.02 40.83 3ea0 s PHE 165 CO 0.00 -0.34 1.21 1.05 0.70 0.00 0.00 175.22 177.83 3ea0 h GLU 166 N 0.47 -0.08 -5.03 0.44 9.09 -1.98 -3.39 114.58 114.10 3ea0 h GLU 166 Ca -0.46 0.01 -0.68 0.00 0.05 0.00 0.00 59.36 58.27 3ea0 h GLU 166 Cb 1.19 0.02 -0.18 0.00 -1.65 0.00 0.00 28.75 28.13 3ea0 h GLU 166 CO 0.62 0.39 0.05 0.21 0.05 0.00 0.00 179.01 180.33 3ea0 s LYS 167 N -4.17 3.14 0.02 1.06 2.47 -1.26 -5.02 119.74 115.97 3ea0 s LYS 167 Ca -0.15 -0.80 -0.35 0.00 -1.56 0.00 0.00 55.97 53.10 3ea0 s LYS 167 Cb 0.01 -4.07 -0.14 0.00 -1.46 0.00 0.00 37.83 32.18 3ea0 s LYS 167 CO 0.63 -1.18 1.65 -2.30 0.16 0.00 0.00 175.35 174.32 3ea0 n PRO 168 N 6.17 1.87 -1.76 4.03 -0.02 -1.26 -4.94 135.00 139.10 3ea0 n PRO 168 Ca -0.06 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 3ea0 n PRO 168 Cb 0.46 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 3ea0 n PRO 168 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3ea0 s ILE 169 N 2.15 2.05 0.10 4.25 1.10 -1.26 -4.93 121.20 124.67 3ea0 s ILE 169 Ca 0.86 0.04 -0.30 0.00 -0.51 0.00 0.00 60.65 60.75 3ea0 s ILE 169 Cb -0.78 -3.03 -0.11 0.00 0.15 0.00 0.00 42.46 38.70 3ea0 s ILE 169 CO 0.47 0.01 1.62 0.28 -2.11 0.00 0.00 174.94 175.20 3ea0 h SER 170 N 5.66 -0.93 -4.37 4.50 0.02 -1.83 -3.42 113.55 113.18 3ea0 h SER 170 Ca -0.45 0.09 -0.22 0.00 -0.84 0.00 0.00 61.79 60.37 3ea0 h SER 170 Cb 1.21 0.33 -0.24 0.00 0.14 0.00 0.00 62.40 63.84 3ea0 h SER 170 CO 0.86 -0.45 -0.72 -0.60 -1.14 0.00 0.00 176.83 174.79 3ea0 s ARG 171 N -6.01 0.23 -0.07 3.45 3.52 -1.23 -5.05 118.95 113.79 3ea0 s ARG 171 Ca -0.16 -0.35 0.04 0.00 -0.13 0.00 0.00 55.73 55.12 3ea0 s ARG 171 Cb 0.07 -0.04 -0.02 0.00 -1.56 0.00 0.00 34.95 33.40 3ea0 s ARG 171 CO 0.64 -0.00 -0.19 0.42 -0.81 0.00 0.00 175.30 175.36 3ea0 s ILE 172 N -0.76 2.59 -0.06 4.11 1.01 -1.26 -1.21 121.20 125.62 3ea0 s ILE 172 Ca -0.07 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.76 3ea0 s ILE 172 Cb -0.05 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 3ea0 s ILE 172 CO -0.00 0.56 -0.22 -1.61 0.00 0.00 0.00 174.94 173.67 3ea0 s GLU 173 N -0.18 2.33 -0.30 2.79 2.02 0.62 -4.94 118.70 121.04 3ea0 s GLU 173 Ca -0.02 -0.78 -0.15 0.00 0.02 0.00 0.00 54.97 54.04 3ea0 s GLU 173 Cb -0.14 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.12 3ea0 s GLU 173 CO 0.03 0.29 0.36 0.42 0.02 0.00 0.00 175.26 176.39 3ea0 s ILE 174 N 0.01 5.18 -0.31 -1.63 -1.09 -1.26 -0.97 121.20 121.12 3ea0 s ILE 174 Ca -0.06 0.34 -0.08 0.00 -2.23 0.00 0.00 60.65 58.62 3ea0 s ILE 174 Cb -0.14 -3.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 3ea0 s ILE 174 CO 0.04 0.06 0.12 -0.63 -1.23 0.00 0.00 174.94 173.30 3ea0 s ILE 175 N 2.04 4.22 -0.54 2.92 -1.09 -0.24 -0.00 121.20 128.51 3ea0 s ILE 175 Ca 0.13 -0.65 -0.22 0.00 -2.23 0.00 0.00 60.65 57.69 3ea0 s ILE 175 Cb -0.16 -3.20 0.05 0.00 -1.58 0.00 0.00 42.46 37.57 3ea0 s ILE 175 CO 0.11 0.03 0.80 -0.22 -1.23 0.00 0.00 174.94 174.43 3ea0 s LEU 176 N 1.54 4.50 0.53 2.97 2.96 0.50 -1.39 118.68 130.29 3ea0 s LEU 176 Ca 0.03 -0.64 -0.09 0.00 -0.22 0.00 0.00 54.13 53.21 3ea0 s LEU 176 Cb -0.17 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 3ea0 s LEU 176 CO 0.04 -1.09 0.90 0.21 -1.32 0.00 0.00 176.35 175.09 3ea0 s ASN 177 N 2.82 6.30 -1.49 3.68 2.47 0.61 -0.64 114.94 128.69 3ea0 s ASN 177 Ca 0.23 1.20 -0.13 0.00 0.42 0.00 0.00 52.86 54.59 3ea0 s ASN 177 Cb -0.16 -2.37 0.09 0.00 -1.45 0.00 0.00 41.25 37.36 3ea0 s ASN 177 CO 0.15 -0.69 0.77 0.54 -3.72 0.00 0.00 177.10 174.16 3ea0 n ARG 178 N -2.33 -4.41 0.11 0.43 1.74 -0.06 -4.28 116.66 107.86 3ea0 n ARG 178 Ca 0.03 0.54 0.11 0.00 -0.77 0.00 0.00 57.85 57.77 3ea0 n ARG 178 Cb 0.54 -5.35 0.61 0.00 -1.02 0.00 0.00 32.46 27.24 3ea0 n ARG 178 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ea0 h ALA 179 N 0.96 2.10 -0.23 7.54 0.00 -0.36 -2.51 119.26 126.76 3ea0 h ALA 179 Ca -0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3ea0 h ALA 179 Cb 1.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3ea0 h ALA 179 CO 0.64 -0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.33 3ea0 n ASP 180 N -4.48 2.08 0.00 0.00 3.85 -1.26 -5.01 116.55 111.73 3ea0 n ASP 180 Ca 0.03 -1.79 0.00 0.00 -0.71 0.00 0.00 54.79 52.32 3ea0 n ASP 180 Cb 0.26 -0.14 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 3ea0 n ASP 180 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3ea0 n THR 181 N 0.60 0.00 0.00 2.12 -2.24 -0.95 -4.98 114.28 108.83 3ea0 n THR 181 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3ea0 n THR 181 Cb 0.39 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3ea0 n THR 181 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ea0 n SER 183 N 0.00 0.00 -1.73 3.42 2.88 -1.26 -5.17 113.62 111.76 3ea0 n SER 183 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 3ea0 n SER 183 Cb 0.00 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 63.83 3ea0 n SER 183 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3ea0 n ARG 184 N -0.84 4.36 -3.59 -1.46 5.12 -1.26 -4.76 116.66 114.22 3ea0 n ARG 184 Ca 0.00 -2.86 -0.38 0.00 -1.93 0.00 0.00 57.85 52.68 3ea0 n ARG 184 Cb 0.00 -2.13 -0.11 0.00 -1.16 0.00 0.00 32.46 29.06 3ea0 n ARG 184 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3ea0 s ILE 185 N -2.43 5.24 0.67 0.55 -1.09 -1.26 -5.09 121.20 117.78 3ea0 s ILE 185 Ca 0.50 0.10 -0.09 0.00 -2.23 0.00 0.00 60.65 58.93 3ea0 s ILE 185 Cb 0.37 -3.51 0.02 0.00 -1.58 0.00 0.00 42.46 37.75 3ea0 s ILE 185 CO 0.17 0.23 1.02 0.42 -1.23 0.00 0.00 174.94 175.54 3ea0 s THR 186 N 1.75 3.31 0.19 2.92 -4.23 -1.26 -4.97 115.64 113.34 3ea0 s THR 186 Ca 0.07 0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 60.72 3ea0 s THR 186 Cb -0.16 -3.38 -0.07 0.00 1.34 0.00 0.00 72.50 70.23 3ea0 s THR 186 CO 0.10 -0.45 1.48 0.77 -0.54 0.00 0.00 174.62 175.99 3ea0 h SER 187 N -0.49 0.58 -0.27 3.99 4.64 -1.99 -2.37 113.55 117.65 3ea0 h SER 187 Ca -0.45 -0.33 -0.03 0.00 -0.47 0.00 0.00 61.79 60.51 3ea0 h SER 187 Cb 1.27 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3ea0 h SER 187 CO 0.62 1.05 0.08 0.44 -0.87 0.00 0.00 176.83 178.15 3ea0 h ASP 188 N 0.38 0.47 -0.41 4.97 3.32 -1.98 0.98 116.42 124.15 3ea0 h ASP 188 Ca -0.00 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3ea0 h ASP 188 Cb 1.16 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 3ea0 h ASP 188 CO 0.11 0.48 -0.14 -0.08 -1.72 0.00 0.00 179.24 177.89 3ea0 h GLU 189 N 0.51 0.83 -0.03 3.56 4.81 -1.91 -0.75 114.58 121.59 3ea0 h GLU 189 Ca 0.12 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3ea0 h GLU 189 Cb 0.21 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3ea0 h GLU 189 CO -0.00 0.97 0.01 0.82 -0.73 0.00 0.00 179.01 180.08 3ea0 h ILE 190 N 0.64 1.15 -0.32 2.32 2.04 -0.86 -2.19 117.51 120.29 3ea0 h ILE 190 Ca 0.10 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.42 3ea0 h ILE 190 Cb 0.69 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3ea0 h ILE 190 CO 0.05 0.12 -0.22 -0.33 0.00 0.00 0.00 178.15 177.77 3ea0 h GLU 191 N -0.13 0.60 -0.44 2.37 5.08 -0.84 -2.19 114.58 119.04 3ea0 h GLU 191 Ca 0.01 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.20 3ea0 h GLU 191 Cb 0.18 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3ea0 h GLU 191 CO -0.00 0.78 0.15 0.87 -1.00 0.00 0.00 179.01 179.81 3ea0 h LYS 192 N 0.53 0.31 0.00 2.33 1.57 -1.02 0.28 116.57 120.57 3ea0 h LYS 192 Ca 0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3ea0 h LYS 192 Cb 0.67 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3ea0 h LYS 192 CO 0.05 0.20 0.00 0.28 -0.57 0.00 0.00 179.45 179.41 3ea0 n VAL 193 N -5.02 0.67 -0.03 0.50 0.31 -0.83 -3.56 118.33 110.38 3ea0 n VAL 193 Ca 0.03 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3ea0 n VAL 193 Cb 0.17 -0.86 -0.07 0.00 -0.91 0.00 0.00 33.84 32.17 3ea0 n VAL 193 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3ea0 n ILE 194 N -2.09 0.32 -1.05 2.52 5.41 -0.86 -4.62 119.36 118.98 3ea0 n ILE 194 Ca 0.04 -0.31 -0.02 0.00 1.00 0.00 0.00 62.75 63.47 3ea0 n ILE 194 Cb 0.31 -0.26 -0.01 0.00 -0.71 0.00 0.00 39.64 38.97 3ea0 n ILE 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ea0 n GLY 195 N 2.20 0.52 3.17 7.39 0.00 0.94 -4.99 105.19 114.43 3ea0 n GLY 195 Ca -0.08 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 3ea0 n GLY 195 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ea0 s ARG 196 N -1.18 0.63 0.74 1.61 0.52 -1.22 -5.06 118.95 114.98 3ea0 s ARG 196 Ca 0.00 -0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 54.63 3ea0 s ARG 196 Cb 0.00 0.27 0.03 0.00 0.52 0.00 0.00 34.95 35.77 3ea0 s ARG 196 CO 0.00 -0.17 1.07 -2.14 0.02 0.00 0.00 175.30 174.08 3ea0 s PRO 197 N -1.96 2.59 -0.12 3.54 0.02 -1.26 -4.44 135.00 133.36 3ea0 s PRO 197 Ca -0.10 0.97 -0.29 0.00 0.02 0.00 0.00 61.00 61.60 3ea0 s PRO 197 Cb -0.04 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 3ea0 s PRO 197 CO -0.01 -1.35 1.38 0.42 -0.33 0.00 0.00 177.00 177.11 3ea0 s ILE 198 N -3.02 4.05 -0.04 2.83 1.01 -1.26 -4.49 121.20 120.28 3ea0 s ILE 198 Ca 0.59 1.28 -0.07 0.00 0.00 0.00 0.00 60.65 62.46 3ea0 s ILE 198 Cb -0.15 -3.83 -0.29 0.00 0.01 0.00 0.00 42.46 38.20 3ea0 s ILE 198 CO 0.55 -0.10 0.70 0.77 0.00 0.00 0.00 174.94 176.86 3ea0 h SER 199 N 8.52 0.50 -4.84 3.58 4.64 -0.80 -3.48 113.55 121.68 3ea0 h SER 199 Ca -0.31 -0.77 -0.18 0.00 -0.47 0.00 0.00 61.79 60.06 3ea0 h SER 199 Cb 1.13 -0.16 -0.22 0.00 -0.31 0.00 0.00 62.40 62.84 3ea0 h SER 199 CO 0.96 1.66 -0.70 -0.75 -0.87 0.00 0.00 176.83 177.12 3ea0 s LYS 200 N -2.59 0.27 -0.17 4.77 2.47 -1.02 -5.03 119.74 118.44 3ea0 s LYS 200 Ca -0.14 -0.54 -0.00 0.00 -1.56 0.00 0.00 55.97 53.73 3ea0 s LYS 200 Cb 0.06 0.10 0.04 0.00 -1.46 0.00 0.00 37.83 36.57 3ea0 s LYS 200 CO 0.85 -0.04 -0.07 0.50 0.16 0.00 0.00 175.35 176.74 3ea0 s ARG 201 N -1.29 1.63 -0.11 4.03 3.52 -1.26 -0.37 118.95 125.10 3ea0 s ARG 201 Ca -0.14 -0.61 0.02 0.00 -0.13 0.00 0.00 55.73 54.86 3ea0 s ARG 201 Cb -0.09 -2.13 -0.01 0.00 -1.56 0.00 0.00 34.95 31.16 3ea0 s ARG 201 CO -0.01 -0.42 -0.17 0.42 -0.81 0.00 0.00 175.30 174.31 3ea0 s ILE 202 N 1.56 2.72 0.65 4.11 1.01 0.19 -4.95 121.20 126.49 3ea0 s ILE 202 Ca 0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 3ea0 s ILE 202 Cb -0.15 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 3ea0 s ILE 202 CO -0.08 0.55 1.03 -2.84 0.00 0.00 0.00 174.94 173.59 3ea0 s PRO 203 N 0.17 3.06 0.07 2.79 0.02 -1.26 0.22 135.00 140.06 3ea0 s PRO 203 Ca -0.10 0.41 -0.19 0.00 0.02 0.00 0.00 61.00 61.15 3ea0 s PRO 203 Cb -0.16 -2.10 -0.07 0.00 0.02 0.00 0.00 34.50 32.20 3ea0 s PRO 203 CO 0.06 -0.83 0.56 -1.14 -0.33 0.00 0.00 177.00 175.32 3ea0 s GLN 204 N -5.22 4.19 -0.44 5.54 0.74 -1.26 -4.34 119.66 118.87 3ea0 s GLN 204 Ca 0.56 0.73 0.06 0.00 0.05 0.00 0.00 55.36 56.76 3ea0 s GLN 204 Cb -0.11 -3.24 0.18 0.00 1.10 0.00 0.00 33.01 30.94 3ea0 s GLN 204 CO 0.51 0.63 0.59 0.34 -0.55 0.00 0.00 175.29 176.81 3ea0 s ASP 205 N -1.08 -0.70 0.36 6.67 -1.08 -1.26 -4.90 116.67 114.68 3ea0 s ASP 205 Ca 0.29 -1.49 0.19 0.00 -0.52 0.00 0.00 52.55 51.02 3ea0 s ASP 205 Cb -0.19 1.44 0.52 0.00 -1.46 0.00 0.00 42.92 43.23 3ea0 s ASP 205 CO 0.19 -0.15 1.65 1.05 0.52 0.00 0.00 175.17 178.44 3ea0 h GLU 206 N 6.19 0.00 -0.41 4.34 4.11 -2.05 -2.97 114.58 123.78 3ea0 h GLU 206 Ca 0.08 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.45 3ea0 h GLU 206 Cb 1.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3ea0 h GLU 206 CO 0.11 0.37 0.04 -0.44 0.07 0.00 0.00 179.01 179.16 3ea0 h ASP 207 N 0.00 0.60 0.00 3.06 3.32 -2.05 -0.22 116.42 121.13 3ea0 h ASP 207 Ca -0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3ea0 h ASP 207 Cb 1.03 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3ea0 h ASP 207 CO 0.05 0.65 0.00 0.00 -1.72 0.00 0.00 179.24 178.22 3ea0 n ALA 208 N -2.47 2.45 0.00 3.45 0.00 -1.12 -2.38 120.51 120.43 3ea0 n ALA 208 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3ea0 n ALA 208 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3ea0 n ALA 208 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3ea0 n GLN 210 N 0.31 0.00 -0.15 0.00 7.27 -0.10 -1.14 117.38 123.58 3ea0 n GLN 210 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.02 3ea0 n GLN 210 Cb 0.38 0.00 0.03 0.00 2.41 0.00 0.00 30.24 33.06 3ea0 n GLN 210 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3ea0 h GLU 211 N 0.00 0.45 -0.17 3.69 4.39 -1.73 -0.95 114.58 120.26 3ea0 h GLU 211 Ca 0.00 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.72 3ea0 h GLU 211 Cb 0.00 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 3ea0 h GLU 211 CO 0.00 0.30 -0.15 1.03 -1.16 0.00 0.00 179.01 179.03 3ea0 h SER 212 N 0.47 -0.47 -0.53 1.42 0.87 -1.38 -1.46 113.55 112.47 3ea0 h SER 212 Ca 0.20 0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.73 3ea0 h SER 212 Cb 0.09 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3ea0 h SER 212 CO -0.13 -0.19 -0.13 -0.07 -0.53 0.00 0.00 176.83 175.78 3ea0 h LEU 213 N -0.17 1.03 -0.87 2.23 4.07 -1.73 0.36 115.31 120.23 3ea0 h LEU 213 Ca 0.11 -0.35 0.09 0.00 0.08 0.00 0.00 57.88 57.80 3ea0 h LEU 213 Cb 0.32 -0.28 -0.07 0.00 1.08 0.00 0.00 40.66 41.71 3ea0 h LEU 213 CO -0.27 1.15 0.53 -0.07 -1.08 0.00 0.00 178.44 178.70 3ea0 h LEU 214 N 0.91 0.79 -0.10 1.67 -0.00 -0.93 -2.88 115.31 114.77 3ea0 h LEU 214 Ca 0.13 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 3ea0 h LEU 214 Cb 0.70 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 3ea0 h LEU 214 CO 0.05 0.47 -0.61 -1.54 -0.00 0.00 0.00 178.44 176.81 3ea0 n SER 215 N -4.67 0.76 -2.54 -0.43 3.41 -0.57 -4.96 113.62 104.61 3ea0 n SER 215 Ca 0.14 -0.58 -0.14 0.00 -0.26 0.00 0.00 58.87 58.04 3ea0 n SER 215 Cb 0.25 0.45 0.05 0.00 -0.26 0.00 0.00 64.21 64.71 3ea0 n SER 215 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ea0 n GLY 216 N 1.48 -0.05 3.11 5.00 0.00 0.12 -4.69 105.19 110.16 3ea0 n GLY 216 Ca 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 3ea0 n GLY 216 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ea0 s GLN 217 N -5.47 0.60 0.30 1.61 -0.21 -0.88 -2.81 119.66 112.80 3ea0 s GLN 217 Ca 0.23 -0.82 -0.28 0.00 0.02 0.00 0.00 55.36 54.51 3ea0 s GLN 217 Cb -0.10 0.23 -0.14 0.00 1.00 0.00 0.00 33.01 34.00 3ea0 s GLN 217 CO 0.47 -0.15 1.06 0.45 -2.12 0.00 0.00 175.29 175.00 3ea0 n SER 218 N 0.65 1.53 0.07 5.90 2.88 -1.16 -4.54 113.62 118.95 3ea0 n SER 218 Ca -0.18 1.18 0.03 0.00 -1.33 0.00 0.00 58.87 58.57 3ea0 n SER 218 Cb 0.59 -1.32 0.40 0.00 -0.75 0.00 0.00 64.21 63.13 3ea0 n SER 218 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 3ea0 h VAL 219 N 2.08 1.14 -0.92 2.46 3.04 -1.90 -1.36 116.25 120.79 3ea0 h VAL 219 Ca -0.41 -0.51 0.06 0.00 -1.01 0.00 0.00 66.70 64.83 3ea0 h VAL 219 Cb 1.33 0.89 -0.06 0.00 -2.01 0.00 0.00 31.29 31.45 3ea0 h VAL 219 CO 0.61 0.18 0.60 -0.07 -1.01 0.00 0.00 177.57 177.88 3ea0 h LEU 220 N 0.38 0.95 -0.00 3.16 3.38 -1.89 0.34 115.31 121.62 3ea0 h LEU 220 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3ea0 h LEU 220 Cb 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3ea0 h LEU 220 CO -0.00 0.61 -0.07 0.50 0.09 0.00 0.00 178.44 179.57 3ea0 h LYS 221 N 1.08 0.05 -0.18 1.13 3.64 -1.73 -3.16 116.57 117.40 3ea0 h LYS 221 Ca 0.39 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.56 3ea0 h LYS 221 Cb 0.16 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3ea0 h LYS 221 CO -0.14 0.83 -0.54 0.28 -2.27 0.00 0.00 179.45 177.60 3ea0 h VAL 222 N -0.71 1.32 -2.02 2.00 2.07 -1.12 -3.38 116.25 114.43 3ea0 h VAL 222 Ca -0.01 -1.79 -0.54 0.00 0.82 0.00 0.00 66.70 65.18 3ea0 h VAL 222 Cb 0.85 1.77 -0.40 0.00 -1.52 0.00 0.00 31.29 32.00 3ea0 h VAL 222 CO 0.01 0.55 -1.10 0.00 0.02 0.00 0.00 177.57 177.06 3ea0 n ALA 223 N -2.51 2.45 0.30 1.67 0.00 0.12 -4.96 120.51 117.58 3ea0 n ALA 223 Ca -0.03 -3.51 0.18 0.00 0.00 0.00 0.00 53.44 50.08 3ea0 n ALA 223 Cb 0.60 -0.85 0.87 0.00 0.00 0.00 0.00 19.45 20.07 3ea0 n ALA 223 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ea0 h PRO 224 N 3.68 0.00 -0.04 0.00 0.13 -1.66 -2.54 132.00 131.56 3ea0 h PRO 224 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3ea0 h PRO 224 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3ea0 h PRO 224 CO 0.50 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.90 3ea0 n LYS 225 N -2.91 1.65 -2.46 0.86 4.76 -1.26 -4.39 118.16 114.41 3ea0 n LYS 225 Ca -0.01 -0.94 -0.35 0.00 -2.87 0.00 0.00 58.31 54.14 3ea0 n LYS 225 Cb 0.18 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 3ea0 n LYS 225 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3ea0 s SER 226 N -1.92 6.27 0.35 4.39 0.15 -0.96 -4.95 113.70 117.03 3ea0 s SER 226 Ca 0.37 2.04 0.10 0.00 0.70 0.00 0.00 55.95 59.15 3ea0 s SER 226 Cb 0.20 -2.57 0.65 0.00 -1.71 0.00 0.00 66.02 62.59 3ea0 s SER 226 CO 0.32 -0.84 1.81 -0.61 1.20 0.00 0.00 173.24 175.12 3ea0 h GLN 227 N 1.69 0.15 0.72 5.44 5.75 -1.91 -1.78 115.11 125.17 3ea0 h GLN 227 Ca -0.49 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 57.92 3ea0 h GLN 227 Cb 1.23 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 3ea0 h GLN 227 CO 0.59 0.46 -0.46 1.25 -2.65 0.00 0.00 178.83 178.02 3ea0 h LEU 228 N 0.13 -1.17 -0.54 -2.39 6.46 -1.90 -0.94 115.31 114.97 3ea0 h LEU 228 Ca 0.02 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 3ea0 h LEU 228 Cb 0.63 0.35 -0.03 0.00 -0.73 0.00 0.00 40.66 40.88 3ea0 h LEU 228 CO 0.05 -0.70 0.35 0.28 -0.62 0.00 0.00 178.44 177.80 3ea0 h SER 229 N -1.11 0.62 -0.99 1.25 0.02 -1.78 -2.33 113.55 109.23 3ea0 h SER 229 Ca -0.09 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3ea0 h SER 229 Cb 0.90 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 3ea0 h SER 229 CO 0.08 0.46 0.66 0.11 -1.14 0.00 0.00 176.83 177.00 3ea0 h LYS 230 N 0.73 1.30 -0.37 3.45 1.57 -1.27 -0.81 116.57 121.17 3ea0 h LYS 230 Ca 0.20 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3ea0 h LYS 230 Cb -0.07 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 31.93 3ea0 h LYS 230 CO -0.04 0.86 -0.08 1.15 -0.57 0.00 0.00 179.45 180.77 3ea0 h THR 231 N 1.34 1.28 -0.25 -0.16 2.02 -0.88 -0.74 112.91 115.52 3ea0 h THR 231 Ca 0.37 -1.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 3ea0 h THR 231 Cb -0.14 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3ea0 h THR 231 CO -0.08 0.38 0.07 0.40 0.37 0.00 0.00 175.52 176.65 3ea0 h ILE 232 N 0.50 1.20 -0.58 3.11 2.04 -1.15 -1.71 117.51 120.93 3ea0 h ILE 232 Ca 0.09 -0.66 0.11 0.00 1.00 0.00 0.00 64.86 65.40 3ea0 h ILE 232 Cb 0.59 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 37.76 3ea0 h ILE 232 CO 0.04 0.21 0.12 0.58 0.00 0.00 0.00 178.15 179.10 3ea0 h VAL 233 N 0.23 0.65 -0.42 1.67 2.07 -1.06 -1.84 116.25 117.54 3ea0 h VAL 233 Ca 0.08 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3ea0 h VAL 233 Cb 0.26 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3ea0 h VAL 233 CO -0.00 0.05 0.03 -0.78 0.02 0.00 0.00 177.57 176.89 3ea0 h ASP 234 N 0.25 0.61 -0.08 0.57 1.82 -0.96 -2.50 116.42 116.13 3ea0 h ASP 234 Ca 0.30 -0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.80 3ea0 h ASP 234 Cb 0.45 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.29 3ea0 h ASP 234 CO -0.39 0.66 -0.04 -0.25 -1.61 0.00 0.00 179.24 177.61 3ea0 h TRP 235 N 0.63 0.20 0.00 0.28 7.01 -0.56 -2.79 115.95 120.72 3ea0 h TRP 235 Ca 0.13 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.09 3ea0 h TRP 235 Cb 0.34 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 3ea0 h TRP 235 CO 0.02 0.53 0.00 0.00 -2.79 0.00 0.00 178.44 176.20 3ea0 h ALA 236 N 0.64 1.00 0.00 2.65 0.00 -1.18 -0.55 119.26 121.82 3ea0 h ALA 236 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ea0 h ALA 236 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ea0 h ALA 236 CO 0.01 0.00 -0.23 1.28 0.00 0.00 0.00 179.25 180.31 3ea0 n LEU 237 N -2.61 0.72 -3.19 0.00 4.77 -0.96 -4.42 117.00 111.31 3ea0 n LEU 237 Ca -0.00 0.43 -0.22 0.00 -0.03 0.00 0.00 56.01 56.20 3ea0 n LEU 237 Cb 0.16 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 3ea0 n LEU 237 CO 0.19 -0.12 -0.22 1.41 -1.33 0.00 0.00 177.39 177.32 3ea0 n HIS 238 N -2.14 0.39 0.20 -1.77 8.25 -0.22 -4.91 115.22 115.02 3ea0 n HIS 238 Ca 0.05 -3.74 0.07 0.00 -0.26 0.00 0.00 57.72 53.84 3ea0 n HIS 238 Cb 0.43 -0.40 0.37 0.00 1.12 0.00 0.00 29.99 31.50 3ea0 n HIS 238 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ea0 h LEU 239 N 3.48 0.00 0.00 2.41 3.38 -1.76 -3.47 115.31 119.35 3ea0 h LEU 239 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ea0 h LEU 239 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3ea0 h LEU 239 CO 0.52 0.32 0.00 0.59 0.09 0.00 0.00 178.44 179.96