#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1y s LEU 1 N 0.00 2.48 -0.36 0.00 2.96 -1.26 -5.02 118.68 117.47 3m1y s LEU 1 Ca 0.00 -0.96 -0.29 0.00 -0.22 0.00 0.00 54.13 52.66 3m1y s LEU 1 Cb 0.00 0.09 -0.00 0.00 0.50 0.00 0.00 46.19 46.78 3m1y s LEU 1 CO 0.00 -0.53 1.57 -1.58 -1.32 0.00 0.00 176.35 174.49 3m1y s GLN 2 N -3.70 3.52 0.29 1.98 2.00 -1.26 -4.62 119.66 117.88 3m1y s GLN 2 Ca 0.07 1.19 0.07 0.00 -2.00 0.00 0.00 55.36 54.69 3m1y s GLN 2 Cb 0.06 -4.09 -0.06 0.00 0.80 0.00 0.00 33.01 29.72 3m1y s GLN 2 CO -0.07 -1.64 -0.06 0.15 -0.50 0.00 0.00 175.29 173.17 3m1y s LYS 3 N 5.16 1.60 -0.13 1.67 1.02 -0.82 -4.93 119.74 123.31 3m1y s LYS 3 Ca 0.69 -1.82 0.02 0.00 0.02 0.00 0.00 55.97 54.88 3m1y s LYS 3 Cb -0.18 -1.25 -0.00 0.00 -0.52 0.00 0.00 37.83 35.88 3m1y s LYS 3 CO 0.32 0.05 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.44 3m1y s LEU 4 N -3.47 2.30 -0.21 3.17 2.96 -0.02 -0.52 118.68 122.88 3m1y s LEU 4 Ca 0.30 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3m1y s LEU 4 Cb 0.04 -1.49 0.03 0.00 0.50 0.00 0.00 46.19 45.26 3m1y s LEU 4 CO 0.13 0.12 -0.15 0.00 -1.32 0.00 0.00 176.35 175.13 3m1y s ALA 5 N 0.58 2.46 -0.12 5.97 0.00 0.51 0.00 121.76 131.16 3m1y s ALA 5 Ca -0.11 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.49 3m1y s ALA 5 Cb -0.16 -1.37 -0.00 0.00 0.00 0.00 0.00 23.12 21.58 3m1y s ALA 5 CO 0.04 -0.62 -0.19 0.54 0.00 0.00 0.00 175.76 175.53 3m1y s VAL 6 N 1.26 2.46 -0.01 0.00 0.11 0.10 -0.74 120.40 123.57 3m1y s VAL 6 Ca 0.01 -0.87 0.03 0.00 -2.93 0.00 0.00 61.98 58.22 3m1y s VAL 6 Cb -0.15 -1.99 -0.03 0.00 -1.53 0.00 0.00 36.38 32.68 3m1y s VAL 6 CO -0.09 0.54 -0.08 -0.36 -3.33 0.00 0.00 175.10 171.78 3m1y s PHE 7 N 0.44 2.86 0.57 1.54 0.08 -0.07 -1.36 117.98 122.04 3m1y s PHE 7 Ca -0.14 -0.05 -0.09 0.00 0.12 0.00 0.00 56.93 56.77 3m1y s PHE 7 Cb -0.17 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 3m1y s PHE 7 CO 0.06 0.34 0.95 0.34 -0.10 0.00 0.00 175.22 176.81 3m1y s ASP 8 N -1.25 6.26 0.00 1.36 2.15 -0.63 -0.60 116.67 123.97 3m1y s ASP 8 Ca 0.16 1.26 0.00 0.00 0.43 0.00 0.00 52.55 54.40 3m1y s ASP 8 Cb -0.11 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 3m1y s ASP 8 CO 0.06 -0.76 0.00 0.33 -0.17 0.00 0.00 175.17 174.63 3m1y n PHE 9 N -2.53 0.00 -1.62 -5.34 7.35 -0.93 -3.71 117.46 110.68 3m1y n PHE 9 Ca 0.04 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.31 3m1y n PHE 9 Cb 0.54 -0.13 -0.03 0.00 0.35 0.00 0.00 39.48 40.21 3m1y n PHE 9 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3m1y n ASP 10 N -2.33 3.62 -1.39 -2.13 8.00 -1.26 -2.06 116.55 119.00 3m1y n ASP 10 Ca 0.00 0.47 -0.10 0.00 0.71 0.00 0.00 54.79 55.88 3m1y n ASP 10 Cb 0.00 -1.55 0.01 0.00 -0.02 0.00 0.00 41.12 39.57 3m1y n ASP 10 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3m1y n SER 11 N 10.09 -3.48 0.00 -2.24 7.64 -0.47 -4.85 113.62 120.32 3m1y n SER 11 Ca 0.26 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3m1y n SER 11 Cb 0.43 -2.44 0.00 0.00 -1.01 0.00 0.00 64.21 61.20 3m1y n SER 11 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3m1y n THR 12 N -3.82 0.00 -0.10 0.44 -1.04 -0.88 -4.59 114.28 104.30 3m1y n THR 12 Ca -0.06 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.82 3m1y n THR 12 Cb 0.56 -0.26 -0.09 0.00 -1.82 0.00 0.00 70.33 68.72 3m1y n THR 12 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3m1y n LEU 13 N -2.12 2.96 -4.41 -4.42 4.77 -0.87 -4.82 117.00 108.09 3m1y n LEU 13 Ca 0.00 -0.10 -0.33 0.00 -0.03 0.00 0.00 56.01 55.55 3m1y n LEU 13 Cb 0.00 -0.67 -0.14 0.00 -2.33 0.00 0.00 43.42 40.28 3m1y n LEU 13 CO 0.00 0.82 -0.46 0.68 -1.33 0.00 0.00 177.39 177.10 3m1y s VAL 14 N -2.38 2.96 -1.34 4.08 -7.23 -1.18 0.02 120.40 115.33 3m1y s VAL 14 Ca -0.26 -0.73 -0.15 0.00 -1.81 0.00 0.00 61.98 59.03 3m1y s VAL 14 Cb 0.07 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.82 3m1y s VAL 14 CO 0.44 0.56 2.17 -3.20 -0.31 0.00 0.00 175.10 174.76 3m1y n ASN 15 N 2.92 3.66 -0.93 4.85 5.15 0.30 -1.36 115.26 129.84 3m1y n ASN 15 Ca -0.18 -2.81 0.00 0.00 -0.60 0.00 0.00 54.58 50.99 3m1y n ASN 15 Cb 0.52 -1.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.20 3m1y n ASN 15 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3m1y n ALA 16 N 6.39 0.00 -3.43 5.20 0.00 -1.26 -4.71 120.51 122.70 3m1y n ALA 16 Ca 0.52 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.74 3m1y n ALA 16 Cb 0.39 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 3m1y n ALA 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3m1y s GLU 17 N -1.78 0.38 0.15 0.00 2.56 -1.26 -1.55 118.70 117.20 3m1y s GLU 17 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 54.97 54.34 3m1y s GLU 17 Cb 0.00 -0.86 0.16 0.00 2.00 0.00 0.00 34.13 35.43 3m1y s GLU 17 CO 0.00 -1.08 1.00 2.41 -0.56 0.00 0.00 175.26 177.02 3m1y n THR 18 N 4.93 -0.34 0.09 -1.70 -1.04 -1.26 -1.52 114.28 113.44 3m1y n THR 18 Ca 0.01 1.51 -0.12 0.00 -2.04 0.00 0.00 64.05 63.41 3m1y n THR 18 Cb 0.44 -1.99 -0.05 0.00 -1.82 0.00 0.00 70.33 66.91 3m1y n THR 18 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 3m1y h ILE 19 N 0.00 0.51 0.00 12.58 6.09 -1.98 -0.62 117.51 134.10 3m1y h ILE 19 Ca 0.22 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 63.58 3m1y h ILE 19 Cb 0.38 0.51 -0.02 0.00 0.47 0.00 0.00 36.82 38.17 3m1y h ILE 19 CO -0.64 0.00 -0.63 1.05 -3.07 0.00 0.00 178.15 174.86 3m1y h GLU 20 N -0.38 0.00 0.00 2.19 4.11 -1.70 0.13 114.58 118.93 3m1y h GLU 20 Ca 0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.41 3m1y h GLU 20 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3m1y h GLU 20 CO -0.14 0.63 -0.29 0.77 0.07 0.00 0.00 179.01 180.05 3m1y h SER 21 N 0.00 0.00 0.53 3.06 0.02 -1.10 -2.10 113.55 113.96 3m1y h SER 21 Ca -0.01 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 3m1y h SER 21 Cb 1.11 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.66 3m1y h SER 21 CO 0.08 0.29 -1.19 0.25 -1.14 0.00 0.00 176.83 175.12 3m1y h LEU 22 N 0.00 0.49 0.21 5.07 5.85 -0.57 -3.26 115.31 123.10 3m1y h LEU 22 Ca -0.00 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 3m1y h LEU 22 Cb 0.63 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3m1y h LEU 22 CO 0.04 1.36 -0.10 0.00 -0.34 0.00 0.00 178.44 179.39 3m1y h ALA 23 N 0.58 -0.28 -0.52 1.25 0.00 -0.33 -2.92 119.26 117.05 3m1y h ALA 23 Ca -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3m1y h ALA 23 Cb 1.89 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 3m1y h ALA 23 CO 0.20 -0.58 0.26 0.07 0.00 0.00 0.00 179.25 179.20 3m1y h ARG 24 N -0.44 0.72 0.00 0.00 0.11 -1.57 0.57 114.38 113.76 3m1y h ARG 24 Ca -0.03 -0.08 -0.01 0.00 0.10 0.00 0.00 59.98 59.97 3m1y h ARG 24 Cb 0.33 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 31.27 3m1y h ARG 24 CO 0.05 0.55 -0.03 0.00 0.10 0.00 0.00 179.97 180.64 3m1y h ALA 25 N 1.57 1.46 -0.01 0.08 0.00 -1.58 0.12 119.26 120.89 3m1y h ALA 25 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3m1y h ALA 25 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3m1y h ALA 25 CO -0.03 0.04 -0.44 1.87 0.00 0.00 0.00 179.25 180.69 3m1y n TRP 26 N -3.79 0.00 -2.76 0.00 -0.00 0.46 -4.99 117.44 106.36 3m1y n TRP 26 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.37 3m1y n TRP 26 Cb 0.12 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.45 3m1y n TRP 26 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3m1y n GLY 27 N 1.31 0.17 0.06 5.87 0.00 0.17 -4.92 105.19 107.86 3m1y n GLY 27 Ca 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.79 3m1y n GLY 27 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m1y n VAL 28 N -3.77 0.57 -0.37 1.61 0.31 -0.37 -4.92 118.33 111.39 3m1y n VAL 28 Ca -0.03 -0.60 -0.10 0.00 -0.01 0.00 0.00 64.34 63.60 3m1y n VAL 28 Cb 0.55 0.63 -0.09 0.00 -0.91 0.00 0.00 33.84 34.02 3m1y n VAL 28 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3m1y n PHE 29 N -0.33 -0.38 -0.24 3.52 7.35 -1.23 -1.54 117.46 124.61 3m1y n PHE 29 Ca 0.02 1.09 0.19 0.00 -0.76 0.00 0.00 57.45 57.98 3m1y n PHE 29 Cb 0.44 -0.57 0.51 0.00 0.35 0.00 0.00 39.48 40.21 3m1y n PHE 29 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3m1y h ASP 30 N 0.00 0.42 -0.28 -2.13 3.32 -1.94 0.29 116.42 116.09 3m1y h ASP 30 Ca 0.14 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.10 3m1y h ASP 30 Cb 0.36 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3m1y h ASP 30 CO -0.82 0.17 -0.30 -0.33 -1.72 0.00 0.00 179.24 176.24 3m1y h GLU 31 N 0.42 0.80 -0.02 3.56 3.07 -1.68 -2.45 114.58 118.28 3m1y h GLU 31 Ca 0.47 -0.37 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 3m1y h GLU 31 Cb 1.14 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3m1y h GLU 31 CO -0.18 1.00 -0.07 0.28 -1.40 0.00 0.00 179.01 178.63 3m1y h VAL 32 N 0.68 1.49 -0.52 3.13 2.07 -0.77 -3.09 116.25 119.23 3m1y h VAL 32 Ca 0.08 -1.54 0.15 0.00 0.82 0.00 0.00 66.70 66.21 3m1y h VAL 32 Cb 0.84 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 33.05 3m1y h VAL 32 CO 0.07 0.41 0.43 0.50 0.02 0.00 0.00 177.57 179.01 3m1y h LYS 33 N -0.51 0.00 0.31 1.57 3.64 -0.53 -1.37 116.57 119.68 3m1y h LYS 33 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3m1y h LYS 33 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3m1y h LYS 33 CO 0.02 0.00 -0.15 1.15 -2.27 0.00 0.00 179.45 178.19 3m1y h THR 34 N 0.00 0.35 -0.42 1.00 2.02 -1.41 -3.16 112.91 111.29 3m1y h THR 34 Ca 0.25 -0.79 0.09 0.00 0.77 0.00 0.00 66.41 66.73 3m1y h THR 34 Cb 1.11 0.58 -0.09 0.00 -1.74 0.00 0.00 68.15 68.01 3m1y h THR 34 CO -0.00 0.09 -0.16 0.40 0.37 0.00 0.00 175.52 176.21 3m1y h ILE 35 N -1.02 0.47 -0.99 3.11 2.04 -1.27 0.36 117.51 120.20 3m1y h ILE 35 Ca -0.04 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.03 3m1y h ILE 35 Cb 0.46 0.47 -0.10 0.00 -0.74 0.00 0.00 36.82 36.91 3m1y h ILE 35 CO 0.07 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.84 3m1y h THR 36 N -0.08 0.65 0.00 -0.27 1.03 -1.39 0.32 112.91 113.17 3m1y h THR 36 Ca 0.20 -0.21 -0.12 0.00 -0.01 0.00 0.00 66.41 66.27 3m1y h THR 36 Cb 0.39 -0.01 -0.02 0.00 -1.07 0.00 0.00 68.15 67.45 3m1y h THR 36 CO -0.47 0.11 -0.59 -0.07 -0.01 0.00 0.00 175.52 174.49 3m1y h LEU 37 N 0.60 0.00 0.00 0.00 4.07 -1.03 -2.48 115.31 116.46 3m1y h LEU 37 Ca 0.57 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.53 3m1y h LEU 37 Cb 1.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.85 3m1y h LEU 37 CO -0.33 0.59 0.00 0.29 -1.08 0.00 0.00 178.44 177.90 3m1y n LYS 38 N -3.25 0.80 -0.56 1.13 5.02 0.96 -0.51 118.16 121.76 3m1y n LYS 38 Ca 0.02 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.37 3m1y n LYS 38 Cb 0.77 -1.44 0.27 0.00 -0.02 0.00 0.00 35.03 34.61 3m1y n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m1y n ALA 39 N -0.94 3.29 -0.07 7.82 0.00 -0.27 0.10 120.51 130.44 3m1y n ALA 39 Ca 0.17 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.27 3m1y n ALA 39 Cb 0.08 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3m1y n ALA 39 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3m1y n ASN 41 N -0.43 0.00 0.19 0.00 4.05 0.33 -4.48 115.26 114.92 3m1y n ASN 41 Ca 0.24 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.27 3m1y n ASN 41 Cb 0.97 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.98 3m1y n ASN 41 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 3m1y n GLU 43 N 0.00 0.00 -3.16 1.20 0.00 -0.48 -5.17 120.64 113.03 3m1y n GLU 43 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 3m1y n GLU 43 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 3m1y n GLU 43 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 3m1y s THR 44 N -1.86 4.75 0.68 6.31 -1.32 0.28 -5.04 115.64 119.43 3m1y s THR 44 Ca 0.00 0.80 -0.14 0.00 -1.21 0.00 0.00 61.69 61.14 3m1y s THR 44 Cb 0.00 -3.63 0.01 0.00 -1.51 0.00 0.00 72.50 67.37 3m1y s THR 44 CO 0.00 -0.21 1.11 1.51 -2.21 0.00 0.00 174.62 174.83 3m1y s ASP 45 N -2.41 4.97 0.23 8.08 1.47 -1.26 -4.57 116.67 123.18 3m1y s ASP 45 Ca 0.52 1.98 -0.07 0.00 1.18 0.00 0.00 52.55 56.16 3m1y s ASP 45 Cb -0.10 -2.55 0.28 0.00 -0.34 0.00 0.00 42.92 40.21 3m1y s ASP 45 CO 0.20 -1.72 1.84 0.15 0.68 0.00 0.00 175.17 176.32 3m1y h PHE 46 N -0.17 0.87 -0.71 2.11 3.57 -1.96 -2.78 116.94 117.87 3m1y h PHE 46 Ca -0.46 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.18 3m1y h PHE 46 Cb 1.25 -0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.63 3m1y h PHE 46 CO 0.55 0.44 0.30 1.25 -2.23 0.00 0.00 178.31 178.62 3m1y h HIS 47 N 0.86 0.52 -0.30 0.41 2.76 -1.92 -0.26 115.15 117.22 3m1y h HIS 47 Ca 0.34 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.45 3m1y h HIS 47 Cb 0.15 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 3m1y h HIS 47 CO -0.05 0.12 -0.18 0.87 -1.30 0.00 0.00 177.93 177.40 3m1y h LYS 48 N 0.49 0.65 -0.32 5.26 1.79 -1.89 -2.42 116.57 120.12 3m1y h LYS 48 Ca 0.37 -0.30 0.07 0.00 -2.18 0.00 0.00 60.65 58.61 3m1y h LYS 48 Cb 0.49 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.06 3m1y h LYS 48 CO -0.34 0.89 -0.13 0.77 -1.08 0.00 0.00 179.45 179.57 3m1y h SER 49 N 0.40 -0.43 0.46 0.86 0.02 -1.07 1.00 113.55 114.78 3m1y h SER 49 Ca 0.06 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3m1y h SER 49 Cb 0.71 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 3m1y h SER 49 CO 0.05 -0.16 -0.27 0.25 -1.14 0.00 0.00 176.83 175.56 3m1y h LEU 50 N -0.07 -0.68 -1.56 5.07 5.85 -1.03 0.21 115.31 123.10 3m1y h LEU 50 Ca 0.16 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3m1y h LEU 50 Cb 0.31 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3m1y h LEU 50 CO -0.37 -0.44 0.08 0.16 -0.34 0.00 0.00 178.44 177.54 3m1y h ILE 51 N -0.69 1.12 0.48 4.05 3.07 -1.20 -1.17 117.51 123.17 3m1y h ILE 51 Ca -0.05 -0.40 -0.02 0.00 1.55 0.00 0.00 64.86 65.93 3m1y h ILE 51 Cb 0.56 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 37.95 3m1y h ILE 51 CO 0.06 0.15 -0.23 -0.07 -1.05 0.00 0.00 178.15 177.00 3m1y h LEU 52 N 0.37 -0.55 -0.96 0.16 3.38 -0.51 -2.23 115.31 114.97 3m1y h LEU 52 Ca 0.09 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3m1y h LEU 52 Cb 0.12 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 3m1y h LEU 52 CO -0.01 -0.18 0.62 0.03 0.09 0.00 0.00 178.44 178.99 3m1y h ARG 53 N -0.97 1.09 0.00 1.13 3.08 -0.75 -0.55 114.38 117.41 3m1y h ARG 53 Ca -0.07 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3m1y h ARG 53 Cb 0.59 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3m1y h ARG 53 CO 0.11 0.72 -0.18 0.28 -1.07 0.00 0.00 179.97 179.83 3m1y h VAL 54 N 1.12 0.56 0.00 2.04 2.07 -1.24 -1.91 116.25 118.89 3m1y h VAL 54 Ca 0.41 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 3m1y h VAL 54 Cb 0.16 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3m1y h VAL 54 CO -0.17 0.18 -0.35 0.77 0.02 0.00 0.00 177.57 178.02 3m1y h SER 55 N 0.00 0.00 0.00 0.57 4.64 -0.46 -2.64 113.55 115.66 3m1y h SER 55 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m1y h SER 55 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3m1y h SER 55 CO 0.02 0.35 0.00 0.29 -0.87 0.00 0.00 176.83 176.62 3m1y n LYS 56 N -3.48 0.80 -0.05 4.77 4.76 -0.72 -3.19 118.16 121.05 3m1y n LYS 56 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 3m1y n LYS 56 Cb 0.51 -1.06 0.05 0.00 -1.84 0.00 0.00 35.03 32.68 3m1y n LYS 56 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3m1y n LEU 57 N -0.56 2.21 -4.43 -0.35 4.32 -1.00 -4.87 117.00 112.32 3m1y n LEU 57 Ca 0.02 -1.90 -0.38 0.00 -0.02 0.00 0.00 56.01 53.74 3m1y n LEU 57 Cb 0.01 -0.07 0.04 0.00 -1.62 0.00 0.00 43.42 41.79 3m1y n LEU 57 CO 0.02 0.55 -0.06 0.29 -1.22 0.00 0.00 177.39 176.96 3m1y n LYS 58 N -0.13 0.37 -2.24 3.23 5.02 -1.19 -4.69 118.16 118.54 3m1y n LYS 58 Ca 0.04 0.15 -0.03 0.00 -2.02 0.00 0.00 58.31 56.45 3m1y n LYS 58 Cb 0.29 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 3m1y n LYS 58 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3m1y n ASN 59 N 0.57 -2.36 -4.16 4.39 3.02 -0.52 -4.97 115.26 111.24 3m1y n ASN 59 Ca 0.10 1.10 -0.23 0.00 -0.03 0.00 0.00 54.58 55.52 3m1y n ASN 59 Cb 0.48 -4.18 -0.15 0.00 -0.61 0.00 0.00 39.78 35.32 3m1y n ASN 59 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3m1y s PRO 61 N -0.81 1.25 0.57 3.52 0.04 -1.26 -4.64 135.00 133.66 3m1y s PRO 61 Ca -0.17 -0.66 0.36 0.00 0.04 0.00 0.00 61.00 60.57 3m1y s PRO 61 Cb 0.01 -1.24 1.96 0.00 0.04 0.00 0.00 34.50 35.27 3m1y s PRO 61 CO 0.45 0.33 2.10 1.37 0.04 0.00 0.00 177.00 181.29 3m1y h LEU 62 N 5.47 0.00 -0.29 -3.56 8.10 -1.72 -2.10 115.31 121.20 3m1y h LEU 62 Ca -0.37 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.62 3m1y h LEU 62 Cb 1.16 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.37 3m1y h LEU 62 CO 0.47 0.00 0.17 0.50 -4.11 0.00 0.00 178.44 175.47 3m1y h LYS 63 N 0.00 0.40 0.58 0.17 3.64 -1.99 0.18 116.57 119.55 3m1y h LYS 63 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3m1y h LYS 63 Cb 0.11 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3m1y h LYS 63 CO 0.00 0.32 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.15 3m1y h LEU 64 N 0.36 -0.66 -0.67 5.20 4.07 -1.80 -1.39 115.31 120.43 3m1y h LEU 64 Ca 0.10 -0.04 0.14 0.00 0.08 0.00 0.00 57.88 58.17 3m1y h LEU 64 Cb 0.03 0.17 -0.12 0.00 1.08 0.00 0.00 40.66 41.82 3m1y h LEU 64 CO -0.02 -0.31 -0.07 0.00 -1.08 0.00 0.00 178.44 176.97 3m1y h ALA 65 N -0.84 0.58 -0.77 1.53 0.00 -1.50 0.36 119.26 118.61 3m1y h ALA 65 Ca -0.08 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3m1y h ALA 65 Cb 0.66 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3m1y h ALA 65 CO 0.13 -0.42 0.39 -0.22 0.00 0.00 0.00 179.25 179.14 3m1y h LYS 66 N 0.06 1.09 -0.12 0.00 3.64 -0.64 0.31 116.57 120.91 3m1y h LYS 66 Ca 0.34 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3m1y h LYS 66 Cb 0.56 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3m1y h LYS 66 CO -0.63 0.82 0.00 0.93 -2.27 0.00 0.00 179.45 178.31 3m1y h GLU 67 N 1.09 0.22 -0.42 1.90 5.08 0.43 -2.21 114.58 120.67 3m1y h GLU 67 Ca 0.27 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 3m1y h GLU 67 Cb 0.08 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3m1y h GLU 67 CO -0.04 0.46 -0.15 0.28 -1.00 0.00 0.00 179.01 178.55 3m1y h VAL 68 N -0.05 1.26 0.00 3.13 2.07 -0.10 -2.96 116.25 119.61 3m1y h VAL 68 Ca 0.04 -1.24 -0.12 0.00 0.82 0.00 0.00 66.70 66.20 3m1y h VAL 68 Cb 0.36 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3m1y h VAL 68 CO 0.01 0.42 -0.55 0.00 0.02 0.00 0.00 177.57 177.46 3m1y n GLU 70 N -3.85 3.47 0.00 0.00 1.02 -0.84 -4.15 120.64 116.30 3m1y n GLU 70 Ca -0.01 -2.56 0.00 0.00 -0.02 0.00 0.00 57.16 54.57 3m1y n GLU 70 Cb 0.57 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3m1y n GLU 70 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3m1y n SER 71 N 0.98 1.46 -4.75 1.62 3.41 -1.13 -5.05 113.62 110.15 3m1y n SER 71 Ca 0.23 -1.59 -0.37 0.00 -0.26 0.00 0.00 58.87 56.88 3m1y n SER 71 Cb 0.82 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.80 3m1y n SER 71 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3m1y s LEU 72 N -0.59 3.78 -0.36 1.04 1.43 -1.24 -4.97 118.68 117.77 3m1y s LEU 72 Ca 0.00 2.54 -0.25 0.00 -1.03 0.00 0.00 54.13 55.39 3m1y s LEU 72 Cb 0.00 -4.43 0.01 0.00 0.03 0.00 0.00 46.19 41.80 3m1y s LEU 72 CO 0.00 -1.53 0.87 -2.16 0.23 0.00 0.00 176.35 173.76 3m1y s PRO 73 N -3.08 3.84 0.35 1.29 0.04 -1.26 -4.99 135.00 131.19 3m1y s PRO 73 Ca 0.74 0.52 -0.27 0.00 0.04 0.00 0.00 61.00 62.02 3m1y s PRO 73 Cb -0.35 -3.79 -0.09 0.00 0.04 0.00 0.00 34.50 30.31 3m1y s PRO 73 CO 0.39 -0.87 1.15 -0.51 0.04 0.00 0.00 177.00 177.20 3m1y s LEU 74 N 3.28 4.35 0.75 -3.56 1.02 -1.26 0.11 118.68 123.37 3m1y s LEU 74 Ca 0.35 2.33 -0.15 0.00 0.02 0.00 0.00 54.13 56.69 3m1y s LEU 74 Cb -0.13 -3.85 0.05 0.00 0.02 0.00 0.00 46.19 42.29 3m1y s LEU 74 CO 0.17 -0.44 1.22 -0.36 0.02 0.00 0.00 176.35 176.96 3m1y s PHE 75 N -1.31 1.96 0.22 0.29 0.08 0.10 -4.65 117.98 114.66 3m1y s PHE 75 Ca 0.51 1.61 -0.32 0.00 0.12 0.00 0.00 56.93 58.86 3m1y s PHE 75 Cb -0.31 -3.50 -0.12 0.00 -0.57 0.00 0.00 43.02 38.51 3m1y s PHE 75 CO 0.40 -2.74 1.65 0.39 -0.10 0.00 0.00 175.22 174.82 3m1y n GLU 76 N -2.86 2.60 -3.09 0.44 4.71 -1.26 -3.53 120.64 117.66 3m1y n GLU 76 Ca 0.14 0.93 -0.14 0.00 -0.01 0.00 0.00 57.16 58.09 3m1y n GLU 76 Cb 0.50 -2.74 0.07 0.00 -1.01 0.00 0.00 31.44 28.25 3m1y n GLU 76 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3m1y n GLY 77 N 3.39 -0.64 0.12 0.62 0.00 -1.26 -1.34 105.19 106.08 3m1y n GLY 77 Ca 0.14 0.30 -0.18 0.00 0.00 0.00 0.00 46.02 46.28 3m1y n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1y h ALA 78 N 0.24 0.49 -0.45 4.61 0.00 -1.89 -2.96 119.26 119.30 3m1y h ALA 78 Ca -0.52 -1.38 -0.09 0.00 0.00 0.00 0.00 54.91 52.92 3m1y h ALA 78 Cb 1.28 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 3m1y h ALA 78 CO 0.40 1.36 -0.10 1.25 0.00 0.00 0.00 179.25 182.15 3m1y h LEU 79 N 0.06 0.78 -1.22 0.00 5.85 -1.93 -2.53 115.31 116.33 3m1y h LEU 79 Ca -0.38 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.03 3m1y h LEU 79 Cb 2.03 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 3m1y h LEU 79 CO 0.10 0.91 -0.39 -0.33 -0.34 0.00 0.00 178.44 178.38 3m1y h GLU 80 N 0.72 0.00 0.09 1.25 4.39 -1.98 -0.71 114.58 118.34 3m1y h GLU 80 Ca 0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 3m1y h GLU 80 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3m1y h GLU 80 CO 0.04 0.39 -0.04 1.25 -1.16 0.00 0.00 179.01 179.48 3m1y h LEU 81 N 0.00 -0.10 -0.14 1.33 6.46 -1.61 -2.03 115.31 119.21 3m1y h LEU 81 Ca -0.00 -0.48 0.03 0.00 -0.12 0.00 0.00 57.88 57.30 3m1y h LEU 81 Cb 0.70 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 3m1y h LEU 81 CO 0.05 0.53 -0.02 0.58 -0.62 0.00 0.00 178.44 178.96 3m1y h VAL 82 N -0.85 0.88 -0.80 1.05 2.07 -1.47 -1.30 116.25 115.83 3m1y h VAL 82 Ca -0.01 -0.01 0.11 0.00 0.82 0.00 0.00 66.70 67.61 3m1y h VAL 82 Cb 0.58 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 3m1y h VAL 82 CO 0.02 0.00 0.42 -1.28 0.02 0.00 0.00 177.57 176.76 3m1y h SER 83 N 0.02 0.55 -0.80 0.57 0.87 -1.22 -0.50 113.55 113.05 3m1y h SER 83 Ca 0.07 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 3m1y h SER 83 Cb 0.09 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 3m1y h SER 83 CO -0.13 0.28 0.43 0.00 -0.53 0.00 0.00 176.83 176.88 3m1y h ALA 84 N 1.49 1.03 -0.43 6.23 0.00 -0.59 -2.20 119.26 124.79 3m1y h ALA 84 Ca 0.41 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3m1y h ALA 84 Cb 0.48 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3m1y h ALA 84 CO -0.30 0.55 0.11 -0.07 0.00 0.00 0.00 179.25 179.54 3m1y h LEU 85 N 1.12 0.65 -0.56 0.00 3.38 -0.03 -2.81 115.31 117.05 3m1y h LEU 85 Ca 0.28 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3m1y h LEU 85 Cb 0.05 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3m1y h LEU 85 CO -0.04 0.71 0.36 0.11 0.09 0.00 0.00 178.44 179.67 3m1y h LYS 86 N 0.55 0.72 -0.78 1.13 1.57 -0.99 -1.31 116.57 117.46 3m1y h LYS 86 Ca 0.13 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.98 3m1y h LYS 86 Cb 0.31 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 3m1y h LYS 86 CO 0.00 0.47 0.51 0.93 -0.57 0.00 0.00 179.45 180.80 3m1y h GLU 87 N 0.74 0.64 -1.11 3.15 4.39 -1.25 -1.11 114.58 120.03 3m1y h GLU 87 Ca 0.21 -0.04 -0.46 0.00 0.34 0.00 0.00 59.36 59.41 3m1y h GLU 87 Cb -0.07 -0.14 -0.23 0.00 -0.10 0.00 0.00 28.75 28.21 3m1y h GLU 87 CO -0.05 0.42 0.59 1.63 -1.16 0.00 0.00 179.01 180.44 3m1y n LYS 88 N -4.51 2.13 -3.58 2.33 5.02 -0.77 -4.60 118.16 114.18 3m1y n LYS 88 Ca 0.14 -2.43 -0.26 0.00 -2.02 0.00 0.00 58.31 53.74 3m1y n LYS 88 Cb 0.37 -1.95 0.05 0.00 -0.02 0.00 0.00 35.03 33.48 3m1y n LYS 88 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3m1y n ASN 89 N -0.58 -4.99 -4.32 4.39 4.05 -0.42 -3.18 115.26 110.21 3m1y n ASN 89 Ca 0.47 -0.91 -0.32 0.00 0.45 0.00 0.00 54.58 54.27 3m1y n ASN 89 Cb 1.04 -3.95 -0.15 0.00 1.23 0.00 0.00 39.78 37.94 3m1y n ASN 89 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3m1y s TYR 90 N -3.48 2.62 -0.29 1.20 2.02 -0.57 -1.95 117.35 116.89 3m1y s TYR 90 Ca 0.40 -0.68 -0.23 0.00 -0.37 0.00 0.00 57.07 56.19 3m1y s TYR 90 Cb -0.11 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 3m1y s TYR 90 CO 0.82 -0.19 0.74 0.21 -1.57 0.00 0.00 175.55 175.56 3m1y s LYS 91 N 0.01 4.01 -0.28 -0.62 2.47 0.32 -4.28 119.74 121.37 3m1y s LYS 91 Ca -0.07 0.58 -0.06 0.00 -1.56 0.00 0.00 55.97 54.86 3m1y s LYS 91 Cb -0.15 -3.70 0.00 0.00 -1.46 0.00 0.00 37.83 32.52 3m1y s LYS 91 CO 0.05 -0.59 0.06 0.08 0.16 0.00 0.00 175.35 175.11 3m1y s VAL 92 N 2.80 3.92 0.23 4.02 1.01 -1.26 -0.36 120.40 130.76 3m1y s VAL 92 Ca 0.30 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.78 3m1y s VAL 92 Cb -0.15 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 3m1y s VAL 92 CO 0.11 0.17 -0.13 -0.69 0.00 0.00 0.00 175.10 174.55 3m1y s VAL 93 N 1.51 1.83 -0.04 2.92 1.01 0.08 -1.31 120.40 126.40 3m1y s VAL 93 Ca 0.04 -2.22 0.04 0.00 0.00 0.00 0.00 61.98 59.83 3m1y s VAL 93 Cb -0.16 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 3m1y s VAL 93 CO 0.02 -0.50 -0.17 0.00 0.00 0.00 0.00 175.10 174.44 3m1y s PHE 95 N 0.05 2.71 -0.29 0.00 0.08 0.23 -0.25 117.98 120.51 3m1y s PHE 95 Ca -0.04 -0.18 -0.21 0.00 0.12 0.00 0.00 56.93 56.63 3m1y s PHE 95 Cb -0.12 -1.39 0.15 0.00 -0.57 0.00 0.00 43.02 41.09 3m1y s PHE 95 CO 0.02 0.45 1.08 0.45 -0.10 0.00 0.00 175.22 177.12 3m1y s SER 96 N -2.40 -0.39 0.00 1.36 0.15 -0.22 -2.19 113.70 110.00 3m1y s SER 96 Ca 0.22 0.69 0.20 0.00 0.70 0.00 0.00 55.95 57.76 3m1y s SER 96 Cb -0.10 0.92 1.17 0.00 -1.71 0.00 0.00 66.02 66.29 3m1y s SER 96 CO 0.14 -0.11 1.69 0.61 1.20 0.00 0.00 173.24 176.77 3m1y n GLY 97 N 2.78 -0.90 0.00 9.45 0.00 -1.26 -3.80 105.19 111.46 3m1y n GLY 97 Ca -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3m1y n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1y n GLY 98 N 0.68 0.03 3.09 -0.02 0.00 -1.26 -4.65 105.19 103.07 3m1y n GLY 98 Ca 0.15 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 3m1y n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m1y s PHE 99 N 0.00 0.82 0.32 1.61 0.08 -1.26 -1.63 117.98 117.92 3m1y s PHE 99 Ca 0.00 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.56 3m1y s PHE 99 Cb 0.00 -0.48 0.59 0.00 -0.57 0.00 0.00 43.02 42.56 3m1y s PHE 99 CO 0.00 -0.05 1.94 -0.44 -0.10 0.00 0.00 175.22 176.57 3m1y h ASP 100 N 4.37 0.83 -1.04 1.36 3.32 -0.83 -0.75 116.42 123.68 3m1y h ASP 100 Ca -0.37 0.00 0.28 0.00 0.02 0.00 0.00 57.03 56.96 3m1y h ASP 100 Cb 1.20 -0.18 -0.12 0.00 0.22 0.00 0.00 39.33 40.45 3m1y h ASP 100 CO 0.42 0.54 0.63 0.25 -1.72 0.00 0.00 179.24 179.36 3m1y h LEU 101 N 0.95 0.54 0.00 1.55 5.85 -1.96 0.16 115.31 122.40 3m1y h LEU 101 Ca 0.35 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.20 3m1y h LEU 101 Cb 0.16 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3m1y h LEU 101 CO -0.12 0.03 -0.14 0.00 -0.34 0.00 0.00 178.44 177.87 3m1y n ALA 102 N -2.37 0.12 -0.41 1.25 0.00 -0.40 -4.26 120.51 114.46 3m1y n ALA 102 Ca 0.28 -0.21 0.35 0.00 0.00 0.00 0.00 53.44 53.86 3m1y n ALA 102 Cb 0.89 0.00 0.67 0.00 0.00 0.00 0.00 19.45 21.01 3m1y n ALA 102 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3m1y h THR 103 N -0.27 0.31 -0.30 0.00 1.35 -1.20 0.65 112.91 113.45 3m1y h THR 103 Ca 0.00 -0.04 -0.09 0.00 -0.55 0.00 0.00 66.41 65.73 3m1y h THR 103 Cb 0.14 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 66.73 3m1y h THR 103 CO 0.00 0.02 -0.17 0.78 -0.25 0.00 0.00 175.52 175.90 3m1y h ASN 104 N 0.12 0.67 0.02 5.36 4.21 -0.90 -0.92 115.58 124.14 3m1y h ASN 104 Ca 0.69 -0.42 0.02 0.00 1.21 0.00 0.00 56.30 57.80 3m1y h ASN 104 Cb 2.36 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 39.35 3m1y h ASN 104 CO -0.19 0.95 -0.13 -0.74 -1.29 0.00 0.00 177.43 176.03 3m1y h HIS 105 N 0.40 -0.34 0.00 1.19 2.76 -1.04 -2.39 115.15 115.73 3m1y h HIS 105 Ca 0.06 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.19 3m1y h HIS 105 Cb 0.71 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 3m1y h HIS 105 CO 0.06 -0.20 -0.26 1.88 -1.30 0.00 0.00 177.93 178.12 3m1y h TYR 106 N -0.23 0.00 -0.58 5.26 0.05 -1.48 -1.69 116.97 118.29 3m1y h TYR 106 Ca 0.04 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.75 3m1y h TYR 106 Cb 0.28 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 3m1y h TYR 106 CO -0.18 0.26 0.11 -0.09 -1.05 0.00 0.00 178.16 177.20 3m1y h ARG 107 N 0.00 0.95 -0.13 4.88 2.43 -0.68 0.17 114.38 122.01 3m1y h ARG 107 Ca -0.00 -0.25 -0.15 0.00 -0.81 0.00 0.00 59.98 58.77 3m1y h ARG 107 Cb 0.59 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3m1y h ARG 107 CO 0.03 0.90 -0.49 -0.44 -1.51 0.00 0.00 179.97 178.46 3m1y h ASP 108 N 0.85 0.65 0.07 -3.80 3.32 -1.11 0.29 116.42 116.70 3m1y h ASP 108 Ca 0.18 -0.62 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 3m1y h ASP 108 Cb 0.40 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3m1y h ASP 108 CO 0.01 1.16 -0.23 0.25 -1.72 0.00 0.00 179.24 178.71 3m1y h LEU 109 N 0.18 0.27 -1.14 1.55 5.85 -1.20 -2.52 115.31 118.30 3m1y h LEU 109 Ca -0.03 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3m1y h LEU 109 Cb 1.13 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3m1y h LEU 109 CO 0.10 0.51 -0.19 0.18 -0.34 0.00 0.00 178.44 178.71 3m1y n LEU 110 N -4.17 1.96 -3.62 2.25 4.32 0.59 -4.97 117.00 113.36 3m1y n LEU 110 Ca -0.01 -0.66 -0.20 0.00 -0.02 0.00 0.00 56.01 55.12 3m1y n LEU 110 Cb 0.35 -0.03 0.05 0.00 -1.62 0.00 0.00 43.42 42.18 3m1y n LEU 110 CO 0.40 0.34 0.02 1.41 -1.22 0.00 0.00 177.39 178.33 3m1y n HIS 111 N 0.27 -2.07 -2.60 -1.77 8.25 -0.32 -4.89 115.22 112.09 3m1y n HIS 111 Ca 0.13 0.89 -0.31 0.00 -0.26 0.00 0.00 57.72 58.18 3m1y n HIS 111 Cb 0.45 -4.64 -0.02 0.00 1.12 0.00 0.00 29.99 26.90 3m1y n HIS 111 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3m1y s LEU 112 N -6.63 3.69 0.22 2.41 1.02 0.87 -4.99 118.68 115.27 3m1y s LEU 112 Ca 0.06 1.26 0.11 0.00 0.02 0.00 0.00 54.13 55.59 3m1y s LEU 112 Cb -0.03 -4.19 0.11 0.00 0.02 0.00 0.00 46.19 42.10 3m1y s LEU 112 CO 0.78 -0.52 1.46 0.44 0.02 0.00 0.00 176.35 178.53 3m1y h ASP 113 N 0.88 0.00 -4.54 2.29 3.32 -1.51 -3.45 116.42 113.40 3m1y h ASP 113 Ca -0.47 0.00 0.17 0.00 0.02 0.00 0.00 57.03 56.76 3m1y h ASP 113 Cb 1.19 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.58 3m1y h ASP 113 CO 0.63 0.72 0.63 0.00 -1.72 0.00 0.00 179.24 179.50 3m1y s ALA 114 N -3.11 -1.92 -0.07 3.45 0.00 -1.25 -5.04 121.76 113.82 3m1y s ALA 114 Ca 0.01 1.20 -0.04 0.00 0.00 0.00 0.00 51.96 53.13 3m1y s ALA 114 Cb 0.10 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.48 3m1y s ALA 114 CO 0.77 -0.68 0.16 0.00 0.00 0.00 0.00 175.76 176.02 3m1y s ALA 115 N -2.84 -0.33 -0.16 0.00 0.00 -1.26 -1.38 121.76 115.79 3m1y s ALA 115 Ca 0.07 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.73 3m1y s ALA 115 Cb -0.01 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.69 3m1y s ALA 115 CO -0.07 -0.15 -0.16 -0.06 0.00 0.00 0.00 175.76 175.32 3m1y s PHE 116 N 0.99 2.43 0.00 0.00 0.08 0.65 -4.96 117.98 117.18 3m1y s PHE 116 Ca -0.08 -1.41 0.00 0.00 0.12 0.00 0.00 56.93 55.56 3m1y s PHE 116 Cb -0.09 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 3m1y s PHE 116 CO -0.05 -0.73 0.00 -1.13 -0.10 0.00 0.00 175.22 173.21 3m1y n SER 117 N 4.71 0.00 -4.89 1.36 3.41 -1.26 -1.06 113.62 115.89 3m1y n SER 117 Ca -0.19 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.22 3m1y n SER 117 Cb 0.50 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 3m1y n SER 117 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3m1y s ASN 118 N 1.63 5.33 -0.14 4.04 0.01 -0.65 -2.60 114.94 122.56 3m1y s ASN 118 Ca 0.00 -0.53 0.02 0.00 -0.71 0.00 0.00 52.86 51.63 3m1y s ASN 118 Cb 0.00 -0.84 0.00 0.00 0.41 0.00 0.00 41.25 40.82 3m1y s ASN 118 CO 0.00 -0.50 -0.19 -0.89 -1.51 0.00 0.00 177.10 174.01 3m1y s THR 119 N -2.35 2.40 -0.27 1.60 2.01 0.20 -0.11 115.64 119.12 3m1y s THR 119 Ca 0.45 -0.87 -0.26 0.00 0.31 0.00 0.00 61.69 61.32 3m1y s THR 119 Cb -0.06 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.48 3m1y s THR 119 CO 0.28 0.54 0.90 -0.76 -0.69 0.00 0.00 174.62 174.89 3m1y s LEU 120 N 0.68 4.06 0.11 4.42 1.43 -1.26 -2.17 118.68 125.95 3m1y s LEU 120 Ca -0.09 1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.72 3m1y s LEU 120 Cb -0.16 -3.29 -0.07 0.00 0.03 0.00 0.00 46.19 42.70 3m1y s LEU 120 CO 0.02 -0.64 1.22 -0.63 0.23 0.00 0.00 176.35 176.55 3m1y s ILE 121 N 3.09 3.79 0.07 -0.59 1.01 -0.43 -4.93 121.20 123.21 3m1y s ILE 121 Ca 0.38 1.35 -0.02 0.00 0.00 0.00 0.00 60.65 62.36 3m1y s ILE 121 Cb -0.14 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 3m1y s ILE 121 CO 0.10 0.14 0.26 -0.69 0.00 0.00 0.00 174.94 174.75 3m1y s VAL 122 N 0.69 5.32 -0.18 2.92 1.01 -1.26 0.35 120.40 129.25 3m1y s VAL 122 Ca 0.57 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 3m1y s VAL 122 Cb -0.31 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.54 3m1y s VAL 122 CO 0.32 0.15 0.27 -0.70 0.00 0.00 0.00 175.10 175.13 3m1y s GLU 123 N -2.44 0.20 -1.26 2.72 2.56 0.19 -4.79 118.70 115.88 3m1y s GLU 123 Ca 0.35 0.49 -0.09 0.00 0.00 0.00 0.00 54.97 55.73 3m1y s GLU 123 Cb -0.13 -0.59 -0.01 0.00 2.00 0.00 0.00 34.13 35.41 3m1y s GLU 123 CO 0.25 -0.50 0.66 0.09 -0.56 0.00 0.00 175.26 175.20 3m1y n ASN 124 N 5.34 -2.80 -1.18 -1.70 3.02 -1.26 -1.27 115.26 115.41 3m1y n ASN 124 Ca -0.05 -0.96 -0.15 0.00 -0.03 0.00 0.00 54.58 53.38 3m1y n ASN 124 Cb 0.50 -3.49 -0.07 0.00 -0.61 0.00 0.00 39.78 36.11 3m1y n ASN 124 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3m1y n ASP 125 N -2.88 -5.29 -3.92 6.41 4.64 -1.26 -4.97 116.55 109.28 3m1y n ASP 125 Ca -0.21 0.38 -0.10 0.00 -1.38 0.00 0.00 54.79 53.48 3m1y n ASP 125 Cb 0.64 -4.14 -0.11 0.00 -1.04 0.00 0.00 41.12 36.47 3m1y n ASP 125 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3m1y s ALA 126 N -2.43 -0.08 0.26 -1.67 0.00 -0.39 -2.02 121.76 115.44 3m1y s ALA 126 Ca 0.00 -0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.32 3m1y s ALA 126 Cb 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 23.12 23.11 3m1y s ALA 126 CO 0.00 -0.16 1.66 1.28 0.00 0.00 0.00 175.76 178.53 3m1y n LEU 127 N 1.71 4.27 0.10 0.00 4.32 -1.26 0.52 117.00 126.66 3m1y n LEU 127 Ca -0.22 1.11 -0.05 0.00 -0.02 0.00 0.00 56.01 56.83 3m1y n LEU 127 Cb 0.56 -1.59 0.02 0.00 -1.62 0.00 0.00 43.42 40.78 3m1y n LEU 127 CO 0.21 0.19 0.30 -1.13 -1.22 0.00 0.00 177.39 175.74 3m1y h ASN 128 N 5.61 0.07 0.00 -1.43 -0.73 -0.41 -1.38 115.58 117.30 3m1y h ASN 128 Ca -0.45 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 57.66 3m1y h ASN 128 Cb 1.21 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.78 3m1y h ASN 128 CO 0.86 0.86 0.00 0.61 -0.37 0.00 0.00 177.43 179.39 3m1y n GLY 129 N 0.81 0.67 3.85 1.57 0.00 -1.26 -4.68 105.19 106.14 3m1y n GLY 129 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3m1y n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m1y s LEU 130 N 0.00 3.96 -0.13 0.99 1.02 -1.26 -2.81 118.68 120.45 3m1y s LEU 130 Ca 0.00 -0.11 -0.11 0.00 0.02 0.00 0.00 54.13 53.93 3m1y s LEU 130 Cb 0.00 -2.52 0.04 0.00 0.02 0.00 0.00 46.19 43.73 3m1y s LEU 130 CO 0.00 0.00 0.35 0.54 0.02 0.00 0.00 176.35 177.26 3m1y s VAL 131 N -1.94 -0.01 0.28 -1.59 0.11 -1.26 -1.32 120.40 114.67 3m1y s VAL 131 Ca 0.33 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.41 3m1y s VAL 131 Cb -0.09 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 3m1y s VAL 131 CO 0.26 0.01 0.28 0.28 -3.33 0.00 0.00 175.10 172.60 3m1y s THR 132 N 0.45 0.00 -5.00 5.04 -1.32 -0.92 -4.97 115.64 108.92 3m1y s THR 132 Ca -0.02 -1.87 0.00 0.00 -1.21 0.00 0.00 61.69 58.59 3m1y s THR 132 Cb -0.04 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 3m1y s THR 132 CO -0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 3m1y n GLY 133 N -0.46 0.58 1.88 6.08 0.00 -1.26 0.60 105.19 112.60 3m1y n GLY 133 Ca 0.03 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.26 3m1y n GLY 133 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3m1y n HIS 134 N 9.00 0.00 -1.22 1.61 8.25 -1.07 -4.96 115.22 126.83 3m1y n HIS 134 Ca 0.00 -0.74 0.15 0.00 -0.26 0.00 0.00 57.72 56.88 3m1y n HIS 134 Cb 0.00 -0.69 -0.05 0.00 1.12 0.00 0.00 29.99 30.38 3m1y n HIS 134 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3m1y n PHE 137 N 2.07 -2.98 -2.26 4.41 3.72 -1.26 -4.97 117.46 116.19 3m1y n PHE 137 Ca 0.10 1.53 -0.33 0.00 -0.05 0.00 0.00 57.45 58.70 3m1y n PHE 137 Cb 0.41 -2.71 -0.01 0.00 -0.94 0.00 0.00 39.48 36.23 3m1y n PHE 137 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3m1y s SER 138 N -6.18 6.20 0.00 4.37 1.04 -1.26 -2.79 113.70 115.08 3m1y s SER 138 Ca 0.00 1.73 0.00 0.00 0.48 0.00 0.00 55.95 58.16 3m1y s SER 138 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 3m1y s SER 138 CO 0.00 -0.88 0.00 1.41 0.98 0.00 0.00 173.24 174.75 3m1y n HIS 139 N -1.69 0.00 0.18 5.02 8.25 -1.26 -4.83 115.22 120.88 3m1y n HIS 139 Ca 0.08 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.62 3m1y n HIS 139 Cb 0.53 -0.18 0.60 0.00 1.12 0.00 0.00 29.99 32.06 3m1y n HIS 139 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3m1y h SER 140 N 0.00 0.10 0.12 0.41 0.02 -1.89 -0.81 113.55 111.50 3m1y h SER 140 Ca 0.00 -0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 3m1y h SER 140 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3m1y h SER 140 CO 0.00 0.07 -0.81 0.11 -1.14 0.00 0.00 176.83 175.06 3m1y h LYS 141 N 0.12 0.56 -0.49 3.45 1.57 -1.88 -3.08 116.57 116.82 3m1y h LYS 141 Ca 0.06 -0.49 -0.06 0.00 -1.87 0.00 0.00 60.65 58.28 3m1y h LYS 141 Cb 0.08 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3m1y h LYS 141 CO -0.01 1.12 0.04 0.78 -0.57 0.00 0.00 179.45 180.81 3m1y h GLY 142 N 0.97 0.85 -1.87 3.86 0.00 -1.38 -2.14 103.07 103.35 3m1y h GLY 142 Ca -0.05 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3m1y h GLY 142 CO 0.15 0.50 0.00 1.18 0.00 0.00 0.00 176.54 178.37 3m1y n GLU 143 N -4.24 0.52 0.00 4.80 1.02 -0.49 -2.45 120.64 119.80 3m1y n GLU 143 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3m1y n GLU 143 Cb 0.27 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 3m1y n GLU 143 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3m1y n LEU 145 N 0.68 0.00 -0.11 -4.62 7.94 -0.81 -0.88 117.00 119.20 3m1y n LEU 145 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 3m1y n LEU 145 Cb 0.24 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.17 3m1y n LEU 145 CO 0.00 0.00 0.54 -0.07 -1.11 0.00 0.00 177.39 176.75 3m1y h LEU 146 N 0.00 0.96 -0.55 -1.96 4.07 -1.75 -0.97 115.31 115.11 3m1y h LEU 146 Ca 0.00 -0.47 -0.07 0.00 0.08 0.00 0.00 57.88 57.41 3m1y h LEU 146 Cb 0.00 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.45 3m1y h LEU 146 CO 0.00 1.24 0.05 0.58 -1.08 0.00 0.00 178.44 179.23 3m1y h VAL 147 N 0.70 1.26 -0.39 1.22 2.07 -1.30 -2.27 116.25 117.55 3m1y h VAL 147 Ca 0.06 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.42 3m1y h VAL 147 Cb 0.97 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3m1y h VAL 147 CO 0.09 0.37 -0.24 -0.07 0.02 0.00 0.00 177.57 177.74 3m1y h LEU 148 N 0.82 0.89 -1.34 2.57 4.07 -1.78 -1.72 115.31 118.82 3m1y h LEU 148 Ca 0.16 -0.42 -0.04 0.00 0.08 0.00 0.00 57.88 57.66 3m1y h LEU 148 Cb 0.47 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 3m1y h LEU 148 CO 0.02 1.12 0.01 1.56 -1.08 0.00 0.00 178.44 180.07 3m1y h GLN 149 N 0.66 0.44 0.20 1.13 4.20 -1.11 -0.17 115.11 120.47 3m1y h GLN 149 Ca 0.08 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3m1y h GLN 149 Cb 0.81 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.52 3m1y h GLN 149 CO 0.07 0.47 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.51 3m1y h ARG 150 N 0.43 -0.26 -0.26 1.46 2.43 -1.25 0.29 114.38 117.22 3m1y h ARG 150 Ca 0.10 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3m1y h ARG 150 Cb 0.27 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 3m1y h ARG 150 CO 0.01 0.12 -0.03 1.25 -1.51 0.00 0.00 179.97 179.81 3m1y h LEU 151 N -0.89 -0.17 0.00 3.80 5.85 -1.19 -2.03 115.31 120.68 3m1y h LEU 151 Ca -0.03 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3m1y h LEU 151 Cb 0.50 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3m1y h LEU 151 CO 0.05 -0.05 -0.06 0.18 -0.34 0.00 0.00 178.44 178.21 3m1y n LEU 152 N -5.19 0.61 -3.21 2.25 4.77 -0.09 -4.95 117.00 111.19 3m1y n LEU 152 Ca -0.01 0.52 -0.15 0.00 -0.03 0.00 0.00 56.01 56.34 3m1y n LEU 152 Cb 0.14 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 40.96 3m1y n LEU 152 CO 0.23 -0.12 0.04 -3.20 -1.33 0.00 0.00 177.39 173.01 3m1y n ASN 153 N -2.05 -5.64 -3.87 -1.43 5.15 -0.05 -5.02 115.26 102.34 3m1y n ASN 153 Ca 0.06 -0.67 -0.26 0.00 -0.60 0.00 0.00 54.58 53.11 3m1y n ASN 153 Cb 0.41 -5.01 -0.17 0.00 -0.53 0.00 0.00 39.78 34.47 3m1y n ASN 153 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3m1y s ILE 154 N -3.37 0.89 1.00 -1.44 1.01 -0.35 -5.03 121.20 113.91 3m1y s ILE 154 Ca 0.36 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.64 3m1y s ILE 154 Cb -0.05 -0.97 0.19 0.00 0.01 0.00 0.00 42.46 41.64 3m1y s ILE 154 CO 0.71 0.30 1.08 -0.94 0.00 0.00 0.00 174.94 176.09 3m1y s SER 155 N 1.76 2.42 0.30 3.58 1.04 -1.26 -4.54 113.70 117.00 3m1y s SER 155 Ca 0.04 1.61 0.01 0.00 0.48 0.00 0.00 55.95 58.09 3m1y s SER 155 Cb -0.13 -2.27 0.48 0.00 0.10 0.00 0.00 66.02 64.21 3m1y s SER 155 CO -0.08 -3.32 1.86 0.50 0.98 0.00 0.00 173.24 173.18 3m1y h LYS 156 N -2.02 0.73 0.00 4.02 3.64 -1.95 -1.86 116.57 119.13 3m1y h LYS 156 Ca -0.53 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 58.70 3m1y h LYS 156 Cb 1.30 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3m1y h LYS 156 CO 0.51 0.67 -0.07 1.15 -2.27 0.00 0.00 179.45 179.44 3m1y h THR 157 N 0.71 0.74 -0.38 1.00 2.02 -1.92 -1.69 112.91 113.38 3m1y h THR 157 Ca 0.16 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3m1y h THR 157 Cb 0.28 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3m1y h THR 157 CO -0.00 0.07 0.00 0.59 0.37 0.00 0.00 175.52 176.55 3m1y n ASN 158 N -4.00 4.43 -4.44 4.18 3.02 -0.72 -4.72 115.26 113.01 3m1y n ASN 158 Ca -0.03 -2.89 -0.34 0.00 -0.03 0.00 0.00 54.58 51.29 3m1y n ASN 158 Cb 0.16 -0.57 -0.13 0.00 -0.61 0.00 0.00 39.78 38.63 3m1y n ASN 158 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3m1y s THR 159 N -2.63 3.73 -0.10 3.41 2.01 -0.68 -0.84 115.64 120.54 3m1y s THR 159 Ca 0.45 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 62.06 3m1y s THR 159 Cb 0.35 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 3m1y s THR 159 CO 0.12 0.47 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.16 3m1y s LEU 160 N 0.70 2.66 0.10 4.42 0.20 0.10 -1.26 118.68 125.60 3m1y s LEU 160 Ca -0.02 -0.31 0.07 0.00 0.69 0.00 0.00 54.13 54.56 3m1y s LEU 160 Cb -0.14 -1.57 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 3m1y s LEU 160 CO 0.02 0.22 -0.18 0.54 -0.29 0.00 0.00 176.35 176.66 3m1y s VAL 161 N 0.01 1.52 -0.04 1.68 0.11 -0.06 -0.72 120.40 122.89 3m1y s VAL 161 Ca -0.04 -1.52 -0.02 0.00 -2.93 0.00 0.00 61.98 57.46 3m1y s VAL 161 Cb -0.14 -1.44 0.03 0.00 -1.53 0.00 0.00 36.38 33.29 3m1y s VAL 161 CO 0.04 -0.16 0.06 -0.69 -3.33 0.00 0.00 175.10 171.02 3m1y s VAL 162 N -1.34 -0.09 0.17 2.04 1.01 -0.46 -0.62 120.40 121.10 3m1y s VAL 162 Ca 0.05 0.41 -0.12 0.00 0.00 0.00 0.00 61.98 62.32 3m1y s VAL 162 Cb -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.13 3m1y s VAL 162 CO 0.04 0.18 0.35 -0.83 0.00 0.00 0.00 175.10 174.84 3m1y s GLY 163 N 2.12 0.25 -0.05 4.51 0.00 -1.05 -1.60 107.32 111.51 3m1y s GLY 163 Ca 0.04 -0.63 0.04 0.00 0.00 0.00 0.00 44.72 44.17 3m1y s GLY 163 CO -0.03 -0.64 0.01 2.09 0.00 0.00 0.00 173.10 174.53 3m1y n ASP 164 N -0.24 3.86 -5.04 1.64 5.68 -1.26 -2.50 116.55 118.69 3m1y n ASP 164 Ca -0.09 -0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.00 3m1y n ASP 164 Cb 0.63 0.55 0.07 0.00 -1.14 0.00 0.00 41.12 41.23 3m1y n ASP 164 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3m1y s GLY 165 N -3.63 1.72 0.55 6.12 0.00 -1.26 -2.35 107.32 108.46 3m1y s GLY 165 Ca -0.03 -2.18 0.32 0.00 0.00 0.00 0.00 44.72 42.84 3m1y s GLY 165 CO 0.18 -1.71 2.07 0.00 0.00 0.00 0.00 173.10 173.64 3m1y h ALA 166 N 0.14 1.10 -0.23 3.20 0.00 -1.95 -2.34 119.26 119.19 3m1y h ALA 166 Ca -0.29 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3m1y h ALA 166 Cb 1.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3m1y h ALA 166 CO 0.41 0.09 -0.24 -2.95 0.00 0.00 0.00 179.25 176.56 3m1y h ASN 167 N 0.00 0.43 0.23 0.00 -1.07 -2.01 -2.67 115.58 110.50 3m1y h ASN 167 Ca -0.00 -0.14 0.00 0.00 0.07 0.00 0.00 56.30 56.23 3m1y h ASN 167 Cb 0.38 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 36.51 3m1y h ASN 167 CO 0.01 0.67 0.00 0.47 0.07 0.00 0.00 177.43 178.65 3m1y n ASP 168 N -4.14 0.00 0.21 6.14 8.00 -0.88 -2.70 116.55 123.18 3m1y n ASP 168 Ca -0.00 0.37 0.05 0.00 0.71 0.00 0.00 54.79 55.91 3m1y n ASP 168 Cb 0.39 -0.42 0.48 0.00 -0.02 0.00 0.00 41.12 41.55 3m1y n ASP 168 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3m1y h LEU 169 N 0.00 0.02 -1.74 0.64 3.38 -1.62 -2.74 115.31 113.25 3m1y h LEU 169 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m1y h LEU 169 Cb 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3m1y h LEU 169 CO 0.00 0.21 0.00 -1.54 0.09 0.00 0.00 178.44 177.20 3m1y n SER 170 N -4.30 0.46 0.00 -0.43 3.41 -1.10 -2.53 113.62 109.12 3m1y n SER 170 Ca -0.02 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 3m1y n SER 170 Cb 0.26 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3m1y n SER 170 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3m1y n PHE 172 N 0.78 0.00 0.30 7.33 3.01 -1.03 -4.19 117.46 123.65 3m1y n PHE 172 Ca 0.00 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.64 3m1y n PHE 172 Cb 0.08 0.00 1.02 0.00 -0.01 0.00 0.00 39.48 40.57 3m1y n PHE 172 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3m1y h LYS 173 N 0.00 0.00 -0.17 -1.08 1.79 -1.81 -2.95 116.57 112.36 3m1y h LYS 173 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 3m1y h LYS 173 Cb 0.00 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 30.49 3m1y h LYS 173 CO 0.00 0.00 -0.67 0.72 -1.08 0.00 0.00 179.45 178.42 3m1y n HIS 174 N -3.50 0.59 -4.23 -1.35 8.25 -1.26 -5.04 115.22 108.68 3m1y n HIS 174 Ca -0.02 -1.52 -0.18 0.00 -0.26 0.00 0.00 57.72 55.73 3m1y n HIS 174 Cb 0.12 -0.25 -0.11 0.00 1.12 0.00 0.00 29.99 30.87 3m1y n HIS 174 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m1y s ALA 175 N -2.86 1.46 -0.19 -1.41 0.00 -1.12 -4.56 121.76 113.09 3m1y s ALA 175 Ca 0.39 -1.26 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 3m1y s ALA 175 Cb 0.38 -0.08 -0.21 0.00 0.00 0.00 0.00 23.12 23.21 3m1y s ALA 175 CO -0.06 0.11 0.27 1.25 0.00 0.00 0.00 175.76 177.33 3m1y h HIS 176 N 3.60 0.08 -3.53 0.00 2.76 -0.70 -3.44 115.15 113.92 3m1y h HIS 176 Ca -0.40 -0.06 -0.72 0.00 -2.20 0.00 0.00 60.37 57.00 3m1y h HIS 176 Cb 1.19 -0.00 -0.23 0.00 1.55 0.00 0.00 27.41 29.92 3m1y h HIS 176 CO 0.65 1.51 -0.46 0.42 -1.30 0.00 0.00 177.93 178.74 3m1y s ILE 177 N -2.39 4.94 -0.38 6.26 1.01 -1.16 -4.94 121.20 124.54 3m1y s ILE 177 Ca -0.27 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.57 3m1y s ILE 177 Cb 0.06 -3.77 0.09 0.00 0.01 0.00 0.00 42.46 38.85 3m1y s ILE 177 CO 0.63 -0.29 0.16 -0.54 0.00 0.00 0.00 174.94 174.89 3m1y s LYS 178 N 1.62 2.18 0.13 2.79 1.02 -1.26 -0.88 119.74 125.34 3m1y s LYS 178 Ca 0.04 -1.63 -0.14 0.00 0.02 0.00 0.00 55.97 54.26 3m1y s LYS 178 Cb -0.19 -3.51 -0.07 0.00 -0.52 0.00 0.00 37.83 33.54 3m1y s LYS 178 CO 0.08 -0.94 0.53 0.42 -0.92 0.00 0.00 175.35 174.52 3m1y s ILE 179 N 1.21 4.89 -0.29 2.17 -1.09 0.21 -0.55 121.20 127.74 3m1y s ILE 179 Ca 0.04 0.79 0.02 0.00 -2.23 0.00 0.00 60.65 59.27 3m1y s ILE 179 Cb -0.22 -3.73 0.08 0.00 -1.58 0.00 0.00 42.46 37.02 3m1y s ILE 179 CO -0.03 0.26 0.00 0.00 -1.23 0.00 0.00 174.94 173.95 3m1y s ALA 180 N -1.44 2.29 -0.52 9.38 0.00 -0.99 -2.53 121.76 127.95 3m1y s ALA 180 Ca 0.37 -1.88 -0.17 0.00 0.00 0.00 0.00 51.96 50.28 3m1y s ALA 180 Cb -0.15 -1.67 0.09 0.00 0.00 0.00 0.00 23.12 21.39 3m1y s ALA 180 CO 0.19 -1.45 0.53 0.12 0.00 0.00 0.00 175.76 175.15 3m1y s PHE 181 N 1.22 3.16 -1.46 0.00 5.36 -1.04 -1.08 117.98 124.15 3m1y s PHE 181 Ca 0.02 -0.95 -0.07 0.00 -0.96 0.00 0.00 56.93 54.98 3m1y s PHE 181 Cb -0.19 -3.57 0.05 0.00 -0.34 0.00 0.00 43.02 38.97 3m1y s PHE 181 CO -0.10 -1.00 0.70 0.09 -1.46 0.00 0.00 175.22 173.45 3m1y n ASN 182 N 5.63 -2.18 -2.40 6.13 3.02 0.19 -4.50 115.26 121.15 3m1y n ASN 182 Ca -0.11 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 3m1y n ASN 182 Cb 0.43 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.10 3m1y n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m1y n ALA 183 N -4.44 0.00 -2.47 5.41 0.00 -1.26 -4.93 120.51 112.82 3m1y n ALA 183 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.97 3m1y n ALA 183 Cb 0.61 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.94 3m1y n ALA 183 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3m1y s LYS 184 N 0.39 2.17 0.43 0.00 3.01 -0.99 -5.00 119.74 119.74 3m1y s LYS 184 Ca 0.00 -0.92 0.22 0.00 -1.01 0.00 0.00 55.97 54.25 3m1y s LYS 184 Cb 0.00 -2.23 1.19 0.00 -1.01 0.00 0.00 37.83 35.77 3m1y s LYS 184 CO 0.00 0.56 1.79 0.93 0.51 0.00 0.00 175.35 179.13 3m1y h GLU 185 N 4.65 0.31 -1.01 1.68 4.39 -1.97 0.51 114.58 123.14 3m1y h GLU 185 Ca -0.47 -0.02 0.24 0.00 0.34 0.00 0.00 59.36 59.45 3m1y h GLU 185 Cb 1.15 -0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.64 3m1y h GLU 185 CO 0.48 0.20 0.64 0.28 -1.16 0.00 0.00 179.01 179.46 3m1y h VAL 186 N 0.32 0.57 0.00 3.13 2.07 -1.96 0.10 116.25 120.48 3m1y h VAL 186 Ca 0.58 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.87 3m1y h VAL 186 Cb 1.61 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3m1y h VAL 186 CO -0.24 0.09 -0.41 -0.07 0.02 0.00 0.00 177.57 176.96 3m1y h LEU 187 N 0.48 0.00 -2.05 2.57 3.38 -0.32 -3.37 115.31 116.01 3m1y h LEU 187 Ca 0.58 -0.59 0.10 0.00 0.09 0.00 0.00 57.88 58.06 3m1y h LEU 187 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3m1y h LEU 187 CO -0.32 1.03 0.37 0.11 0.09 0.00 0.00 178.44 179.73 3m1y h LYS 188 N -1.00 0.00 0.00 1.13 1.57 -0.81 0.19 116.57 117.65 3m1y h LYS 188 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3m1y h LYS 188 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3m1y h LYS 188 CO -0.06 0.00 0.00 0.37 -0.57 0.00 0.00 179.45 179.19 3m1y h GLN 189 N 0.00 0.00 0.00 3.15 5.75 -0.97 -3.08 115.11 119.96 3m1y h GLN 189 Ca 0.17 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.57 3m1y h GLN 189 Cb 0.91 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.44 3m1y h GLN 189 CO -0.00 0.00 -1.44 0.72 -2.65 0.00 0.00 178.83 175.46 3m1y n HIS 190 N -2.78 0.00 -1.56 3.99 8.25 0.53 -5.05 115.22 118.60 3m1y n HIS 190 Ca -0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 3m1y n HIS 190 Cb 0.20 -0.30 0.03 0.00 1.12 0.00 0.00 29.99 31.04 3m1y n HIS 190 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m1y n ALA 191 N -2.14 -0.34 -0.00 -1.41 0.00 -0.38 -4.93 120.51 111.31 3m1y n ALA 191 Ca -0.09 0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 3m1y n ALA 191 Cb 0.60 -1.99 -0.14 0.00 0.00 0.00 0.00 19.45 17.93 3m1y n ALA 191 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3m1y h THR 192 N 0.77 1.04 -3.88 0.00 1.35 -1.15 -3.47 112.91 107.56 3m1y h THR 192 Ca -0.46 -2.86 -0.25 0.00 -0.55 0.00 0.00 66.41 62.30 3m1y h THR 192 Cb 1.37 2.51 -0.17 0.00 -1.73 0.00 0.00 68.15 70.13 3m1y h THR 192 CO 0.52 0.59 -0.71 -1.00 -0.25 0.00 0.00 175.52 174.66 3m1y s HIS 193 N -2.63 0.81 0.01 4.73 3.76 -1.05 -4.99 115.29 115.94 3m1y s HIS 193 Ca -0.03 -0.75 0.03 0.00 -0.15 0.00 0.00 55.06 54.16 3m1y s HIS 193 Cb 0.08 -0.47 -0.01 0.00 1.11 0.00 0.00 32.58 33.29 3m1y s HIS 193 CO 0.82 -0.12 -0.09 0.00 -0.85 0.00 0.00 174.74 174.50 3m1y s ILE 195 N -0.50 1.65 -1.83 0.00 -1.09 -0.24 -4.93 121.20 114.26 3m1y s ILE 195 Ca 0.01 -2.56 0.31 0.00 -2.23 0.00 0.00 60.65 56.17 3m1y s ILE 195 Cb -0.05 -2.16 0.71 0.00 -1.58 0.00 0.00 42.46 39.37 3m1y s ILE 195 CO 0.00 -0.83 2.09 0.59 -1.23 0.00 0.00 174.94 175.56 3m1y n ASN 196 N 3.66 0.19 -4.75 3.58 4.13 -1.26 -0.64 115.26 120.17 3m1y n ASN 196 Ca 0.06 -0.74 -0.36 0.00 1.68 0.00 0.00 54.58 55.22 3m1y n ASN 196 Cb 0.35 -0.09 -0.07 0.00 -1.54 0.00 0.00 39.78 38.43 3m1y n ASN 196 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3m1y s GLU 197 N -2.23 4.10 -0.25 3.52 2.56 -1.26 -4.85 118.70 120.29 3m1y s GLU 197 Ca 0.39 -0.05 -0.04 0.00 0.00 0.00 0.00 54.97 55.27 3m1y s GLU 197 Cb 0.21 -3.38 -0.12 0.00 2.00 0.00 0.00 34.13 32.84 3m1y s GLU 197 CO 0.41 0.36 2.15 -0.35 -0.56 0.00 0.00 175.26 177.27 3m1y n PRO 198 N 3.24 1.34 -3.66 4.30 -0.04 -1.26 -4.73 135.00 134.19 3m1y n PRO 198 Ca -0.15 -0.78 -0.12 0.00 -0.04 0.00 0.00 63.50 62.41 3m1y n PRO 198 Cb 0.52 -1.95 -0.12 0.00 -0.04 0.00 0.00 33.50 31.91 3m1y n PRO 198 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3m1y s ASP 199 N 2.75 0.17 1.01 3.54 -1.08 -1.26 -4.31 116.67 117.48 3m1y s ASP 199 Ca 0.37 0.71 -0.02 0.00 -0.52 0.00 0.00 52.55 53.09 3m1y s ASP 199 Cb 0.15 0.90 0.03 0.00 -1.46 0.00 0.00 42.92 42.54 3m1y s ASP 199 CO -0.01 -0.24 0.14 0.18 0.52 0.00 0.00 175.17 175.76 3m1y n LEU 200 N 5.36 0.00 0.00 -1.34 4.77 -0.45 -3.73 117.00 121.62 3m1y n LEU 200 Ca -0.07 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3m1y n LEU 200 Cb 0.50 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3m1y n LEU 200 CO 0.02 -0.72 0.00 0.00 -1.33 0.00 0.00 177.39 175.35 3m1y n ALA 201 N -3.12 0.00 0.46 -1.18 0.00 -1.12 -4.63 120.51 110.92 3m1y n ALA 201 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 3m1y n ALA 201 Cb 0.06 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 3m1y n ALA 201 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3m1y n LEU 202 N 0.00 1.15 0.00 0.00 7.94 -1.24 -4.12 117.00 120.74 3m1y n LEU 202 Ca 0.00 -0.74 0.11 0.00 -1.11 0.00 0.00 56.01 54.27 3m1y n LEU 202 Cb 0.32 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.13 3m1y n LEU 202 CO 0.00 0.23 -0.58 -0.38 -1.11 0.00 0.00 177.39 175.55 3m1y n ILE 203 N -0.35 0.06 -0.35 1.96 5.41 -1.26 -4.14 119.36 120.70 3m1y n ILE 203 Ca 0.04 -0.44 0.23 0.00 1.00 0.00 0.00 62.75 63.58 3m1y n ILE 203 Cb 0.21 0.09 0.48 0.00 -0.71 0.00 0.00 39.64 39.71 3m1y n ILE 203 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3m1y h LYS 204 N 0.00 0.39 0.00 0.38 3.64 -1.93 0.79 116.57 119.84 3m1y h LYS 204 Ca 0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3m1y h LYS 204 Cb 0.93 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3m1y h LYS 204 CO 0.00 0.26 -0.01 -1.35 -2.27 0.00 0.00 179.45 176.08 3m1y h PRO 205 N 0.41 0.00 -0.01 1.90 0.12 -1.85 -3.51 132.00 129.05 3m1y h PRO 205 Ca 0.66 0.00 0.00 0.00 0.12 0.00 0.00 66.00 66.78 3m1y h PRO 205 Cb 1.57 0.00 0.00 0.00 0.12 0.00 0.00 31.00 32.69 3m1y h PRO 205 CO -0.42 0.01 0.00 1.47 0.12 0.00 0.00 178.00 179.18