#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1n s LYS 2 N 0.00 3.79 -0.03 0.00 -2.85 -1.26 -4.71 119.74 114.69 1h1n s LYS 2 Ca 0.00 1.70 -0.01 0.00 -1.00 0.00 0.00 55.97 56.66 1h1n s LYS 2 Cb 0.00 -2.38 -0.26 0.00 -2.06 0.00 0.00 37.83 33.13 1h1n s LYS 2 CO 0.00 -0.50 0.74 0.28 0.10 0.00 0.00 175.35 175.96 1h1n h VAL 3 N 1.85 1.00 -2.49 1.79 2.07 -1.52 -3.48 116.25 115.48 1h1n h VAL 3 Ca -0.49 -2.70 -0.59 0.00 0.82 0.00 0.00 66.70 63.74 1h1n h VAL 3 Cb 1.24 2.65 -0.12 0.00 -1.52 0.00 0.00 31.29 33.54 1h1n h VAL 3 CO 0.60 0.78 -0.70 -0.36 0.02 0.00 0.00 177.57 177.91 1h1n s PHE 4 N -2.60 2.57 0.21 1.57 0.08 -1.26 -5.03 117.98 113.52 1h1n s PHE 4 Ca -0.11 -0.25 -0.09 0.00 0.12 0.00 0.00 56.93 56.60 1h1n s PHE 4 Cb 0.07 -1.18 0.28 0.00 -0.57 0.00 0.00 43.02 41.62 1h1n s PHE 4 CO 0.83 0.60 1.75 0.37 -0.10 0.00 0.00 175.22 178.68 1h1n h GLN 5 N 2.33 0.43 -4.40 0.44 4.15 -1.72 -3.44 115.11 112.90 1h1n h GLN 5 Ca -0.44 -0.03 -0.35 0.00 0.77 0.00 0.00 58.65 58.61 1h1n h GLN 5 Cb 1.24 -0.10 -0.29 0.00 0.21 0.00 0.00 27.48 28.54 1h1n h GLN 5 CO 0.58 0.28 -0.76 -1.58 -1.93 0.00 0.00 178.83 175.42 1h1n s TRP 6 N -6.09 0.57 -0.22 3.99 0.51 -0.13 -5.02 118.94 112.54 1h1n s TRP 6 Ca -0.13 -0.11 -0.09 0.00 -2.12 0.00 0.00 56.10 53.65 1h1n s TRP 6 Cb 0.17 -0.38 0.09 0.00 -0.81 0.00 0.00 33.47 32.54 1h1n s TRP 6 CO 0.75 -0.02 0.50 0.12 -0.51 0.00 0.00 176.95 177.79 1h1n s PHE 7 N -0.09 -0.91 0.00 -1.98 5.36 -1.26 -2.30 117.98 116.81 1h1n s PHE 7 Ca 0.02 1.72 0.00 0.00 -0.96 0.00 0.00 56.93 57.71 1h1n s PHE 7 Cb -0.03 0.45 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 1h1n s PHE 7 CO -0.00 -0.50 0.00 0.41 -1.46 0.00 0.00 175.22 173.67 1h1n n GLY 8 N 5.01 2.05 3.10 13.12 0.00 -0.70 -1.03 105.19 126.74 1h1n n GLY 8 Ca -0.14 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1h1n n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1h1n s SER 9 N 2.00 0.03 0.45 1.61 0.15 -0.79 -1.19 113.70 115.96 1h1n s SER 9 Ca 0.00 -0.20 -0.23 0.00 0.70 0.00 0.00 55.95 56.21 1h1n s SER 9 Cb 0.00 0.21 -0.07 0.00 -1.71 0.00 0.00 66.02 64.44 1h1n s SER 9 CO 0.00 -0.37 1.19 0.20 1.20 0.00 0.00 173.24 175.46 1h1n s ASN 10 N -1.37 6.18 -0.53 5.45 0.01 0.32 -1.65 114.94 123.36 1h1n s ASN 10 Ca -0.15 2.36 0.04 0.00 -0.71 0.00 0.00 52.86 54.40 1h1n s ASN 10 Cb -0.08 -2.61 0.14 0.00 0.41 0.00 0.00 41.25 39.12 1h1n s ASN 10 CO 0.02 -0.91 0.32 -1.61 -1.51 0.00 0.00 177.10 173.40 1h1n s GLU 11 N -2.61 1.76 0.18 -0.60 0.41 0.11 -0.41 118.70 117.54 1h1n s GLU 11 Ca 0.62 -2.54 -0.07 0.00 -0.41 0.00 0.00 54.97 52.57 1h1n s GLU 11 Cb -0.30 -2.84 -0.06 0.00 -1.78 0.00 0.00 34.13 29.14 1h1n s GLU 11 CO 0.37 -1.19 0.46 0.45 -0.49 0.00 0.00 175.26 174.86 1h1n s SER 12 N -0.32 6.56 0.00 -0.19 0.15 -0.04 -4.10 113.70 115.76 1h1n s SER 12 Ca 0.20 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1h1n s SER 12 Cb -0.18 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1h1n s SER 12 CO -0.06 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1h1n n GLY 13 N 0.02 1.53 0.12 9.45 0.00 -1.26 -4.10 105.19 110.94 1h1n n GLY 13 Ca -0.01 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1h1n n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h1n n ALA 14 N 0.00 1.84 0.46 4.61 0.00 -0.49 -2.02 120.51 124.90 1h1n n ALA 14 Ca 0.00 0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.59 1h1n n ALA 14 Cb 0.00 -1.41 0.14 0.00 0.00 0.00 0.00 19.45 18.18 1h1n n ALA 14 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1h1n n GLU 15 N -2.23 2.01 -1.06 0.00 0.00 -1.26 -4.29 120.64 113.81 1h1n n GLU 15 Ca 0.03 -1.89 -0.31 0.00 0.00 0.00 0.00 57.16 54.99 1h1n n GLU 15 Cb 0.28 -1.40 0.13 0.00 0.00 0.00 0.00 31.44 30.46 1h1n n GLU 15 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1h1n s PHE 16 N -1.41 2.20 -1.50 -1.84 0.40 -0.86 -3.88 117.98 111.09 1h1n s PHE 16 Ca 0.28 1.55 -0.11 0.00 -0.60 0.00 0.00 56.93 58.05 1h1n s PHE 16 Cb 0.17 -3.15 0.07 0.00 0.51 0.00 0.00 43.02 40.62 1h1n s PHE 16 CO 0.25 -2.29 0.90 0.41 0.70 0.00 0.00 175.22 175.19 1h1n n GLY 17 N -0.70 -0.44 0.12 4.36 0.00 -1.18 -4.42 105.19 102.92 1h1n n GLY 17 Ca 0.09 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.39 1h1n n GLY 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h1n n SER 18 N -2.87 0.50 0.01 1.61 3.41 -1.25 -0.51 113.62 114.52 1h1n n SER 18 Ca -0.03 0.67 0.11 0.00 -0.26 0.00 0.00 58.87 59.36 1h1n n SER 18 Cb 0.56 -0.76 0.49 0.00 -0.26 0.00 0.00 64.21 64.23 1h1n n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h1n n GLN 19 N -2.11 0.02 -3.78 4.33 0.00 -1.26 -4.46 117.38 110.12 1h1n n GLN 19 Ca 0.01 0.12 -0.37 0.00 0.00 0.00 0.00 57.00 56.76 1h1n n GLN 19 Cb 0.13 -1.53 -0.13 0.00 0.00 0.00 0.00 30.24 28.71 1h1n n GLN 19 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1h1n s ASN 20 N -3.13 5.23 -0.09 2.61 0.01 0.33 -5.05 114.94 114.85 1h1n s ASN 20 Ca 0.11 -1.18 0.02 0.00 -0.71 0.00 0.00 52.86 51.10 1h1n s ASN 20 Cb 0.15 -1.84 0.01 0.00 0.41 0.00 0.00 41.25 39.98 1h1n s ASN 20 CO 0.43 -0.32 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.79 1h1n s LEU 21 N 1.37 1.73 0.55 0.60 1.43 -1.26 -2.52 118.68 120.58 1h1n s LEU 21 Ca -0.02 -0.40 0.30 0.00 -1.03 0.00 0.00 54.13 52.98 1h1n s LEU 21 Cb -0.20 -1.04 1.57 0.00 0.03 0.00 0.00 46.19 46.55 1h1n s LEU 21 CO 0.02 0.04 2.10 1.55 0.23 0.00 0.00 176.35 180.29 1h1n h PRO 22 N 7.19 0.00 -1.55 1.29 0.13 -1.97 -3.52 132.00 133.58 1h1n h PRO 22 Ca -0.29 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.02 1h1n h PRO 22 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1h1n h PRO 22 CO 0.48 0.09 -0.27 0.41 -0.23 0.00 0.00 178.00 178.48 1h1n n GLY 23 N -0.64 -1.65 3.05 1.56 0.00 -1.05 -4.90 105.19 101.57 1h1n n GLY 23 Ca -0.02 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 1h1n n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h1n s VAL 24 N -1.70 1.70 0.32 1.61 1.01 -1.26 -5.01 120.40 117.07 1h1n s VAL 24 Ca 0.00 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 1h1n s VAL 24 Cb 0.00 -1.57 -0.13 0.00 0.00 0.00 0.00 36.38 34.68 1h1n s VAL 24 CO 0.00 0.48 1.21 1.21 0.00 0.00 0.00 175.10 178.00 1h1n n GLU 25 N 4.66 1.88 0.00 2.72 0.00 -1.26 -0.88 120.64 127.76 1h1n n GLU 25 Ca -0.18 0.66 0.00 0.00 0.00 0.00 0.00 57.16 57.64 1h1n n GLU 25 Cb 0.50 -2.18 0.00 0.00 0.00 0.00 0.00 31.44 29.76 1h1n n GLU 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1h1n n GLY 26 N 0.99 2.86 0.88 8.31 0.00 0.45 -4.77 105.19 113.92 1h1n n GLY 26 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 1h1n n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1h1n n LYS 27 N -2.00 0.09 0.01 1.61 4.81 -0.69 -4.87 118.16 117.12 1h1n n LYS 27 Ca 0.00 0.04 0.03 0.00 -0.87 0.00 0.00 58.31 57.50 1h1n n LYS 27 Cb 0.00 -0.66 -0.11 0.00 0.02 0.00 0.00 35.03 34.28 1h1n n LYS 27 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1h1n n ASP 28 N -3.64 0.49 -3.90 3.14 8.00 -0.06 -5.00 116.55 115.59 1h1n n ASP 28 Ca -0.03 0.21 -0.09 0.00 0.71 0.00 0.00 54.79 55.59 1h1n n ASP 28 Cb 0.12 0.82 -0.05 0.00 -0.02 0.00 0.00 41.12 41.98 1h1n n ASP 28 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1h1n s TYR 29 N -3.06 0.22 -0.05 1.24 -0.85 -1.24 -3.12 117.35 110.48 1h1n s TYR 29 Ca -0.05 -0.58 -0.19 0.00 -0.52 0.00 0.00 57.07 55.73 1h1n s TYR 29 Cb 0.10 0.15 0.04 0.00 0.38 0.00 0.00 41.96 42.63 1h1n s TYR 29 CO 0.84 -0.86 0.43 -1.50 -1.52 0.00 0.00 175.55 172.95 1h1n s ILE 30 N -3.95 0.03 0.40 -3.49 2.07 -0.87 -0.41 121.20 114.99 1h1n s ILE 30 Ca 0.16 -0.27 -0.04 0.00 -1.41 0.00 0.00 60.65 59.09 1h1n s ILE 30 Cb 0.01 -0.72 -0.04 0.00 0.13 0.00 0.00 42.46 41.84 1h1n s ILE 30 CO 0.01 -0.15 0.67 0.26 -1.91 0.00 0.00 174.94 173.83 1h1n s TRP 31 N -1.02 3.52 0.76 3.50 0.52 -1.26 -1.40 118.94 123.57 1h1n s TRP 31 Ca -0.11 0.67 -0.15 0.00 0.02 0.00 0.00 56.10 56.53 1h1n s TRP 31 Cb -0.03 -2.16 0.05 0.00 -1.15 0.00 0.00 33.47 30.18 1h1n s TRP 31 CO 0.05 -0.07 1.19 -2.30 0.02 0.00 0.00 176.95 175.84 1h1n n PRO 32 N -1.81 0.45 -2.97 4.98 -0.02 -1.26 -4.80 135.00 129.56 1h1n n PRO 32 Ca -0.01 0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 1h1n n PRO 32 Cb 0.55 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 1h1n n PRO 32 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1h1n s ASP 33 N -1.88 6.57 0.51 2.55 -1.08 -1.26 -4.94 116.67 117.14 1h1n s ASP 33 Ca 0.76 0.43 0.18 0.00 -0.52 0.00 0.00 52.55 53.40 1h1n s ASP 33 Cb -0.32 -2.39 1.27 0.00 -1.46 0.00 0.00 42.92 40.02 1h1n s ASP 33 CO 0.48 -0.67 2.11 1.55 0.52 0.00 0.00 175.17 179.15 1h1n h PRO 34 N 8.36 0.00 -0.44 4.34 0.13 -1.98 -2.21 132.00 140.20 1h1n h PRO 34 Ca -0.25 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.76 1h1n h PRO 34 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1h1n h PRO 34 CO 0.89 0.07 -0.20 -0.91 -0.23 0.00 0.00 178.00 177.63 1h1n h ASN 35 N 0.00 0.89 1.13 1.44 2.35 -2.00 -0.83 115.58 118.56 1h1n h ASN 35 Ca -0.00 -0.32 -0.18 0.00 -0.55 0.00 0.00 56.30 55.26 1h1n h ASN 35 Cb 0.14 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 1h1n h ASN 35 CO 0.01 1.06 -0.84 0.71 -1.65 0.00 0.00 177.43 176.73 1h1n h THR 36 N 0.76 1.45 -0.83 2.81 1.35 -1.79 -2.73 112.91 113.94 1h1n h THR 36 Ca 0.11 -3.02 0.07 0.00 -0.55 0.00 0.00 66.41 63.02 1h1n h THR 36 Cb 0.74 2.70 -0.06 0.00 -1.73 0.00 0.00 68.15 69.79 1h1n h THR 36 CO 0.06 0.82 0.50 0.40 -0.25 0.00 0.00 175.52 177.04 1h1n h ILE 37 N 0.00 0.99 -1.01 6.82 2.04 -1.33 -2.16 117.51 122.86 1h1n h ILE 37 Ca -0.01 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.57 1h1n h ILE 37 Cb 1.63 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1h1n h ILE 37 CO 0.11 0.16 0.66 0.44 0.00 0.00 0.00 178.15 179.52 1h1n h ASP 38 N 0.88 1.13 -0.44 1.72 3.45 -0.87 0.63 116.42 122.93 1h1n h ASP 38 Ca 0.38 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.81 1h1n h ASP 38 Cb 0.24 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 1h1n h ASP 38 CO -0.20 0.80 0.27 0.74 -1.57 0.00 0.00 179.24 179.28 1h1n h THR 39 N 1.33 1.13 -0.62 0.35 2.02 -1.15 -0.12 112.91 115.84 1h1n h THR 39 Ca 0.38 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 1h1n h THR 39 Cb -0.10 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1h1n h THR 39 CO -0.10 0.13 0.26 -0.07 0.37 0.00 0.00 175.52 176.12 1h1n h LEU 40 N 0.58 0.82 -0.87 2.58 3.38 -0.67 -1.43 115.31 119.71 1h1n h LEU 40 Ca 0.16 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1h1n h LEU 40 Cb -0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1h1n h LEU 40 CO -0.03 0.72 0.24 0.40 0.09 0.00 0.00 178.44 179.86 1h1n h ILE 41 N 0.89 1.25 0.00 1.22 2.04 -0.43 -2.02 117.51 120.46 1h1n h ILE 41 Ca 0.21 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1h1n h ILE 41 Cb 0.15 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1h1n h ILE 41 CO -0.02 0.33 -0.10 0.77 0.00 0.00 0.00 178.15 179.13 1h1n h SER 42 N 1.04 0.00 0.55 1.72 4.64 -0.00 -0.91 113.55 120.59 1h1n h SER 42 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1h1n h SER 42 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1h1n h SER 42 CO -0.01 0.10 -0.08 0.29 -0.87 0.00 0.00 176.83 176.26 1h1n n LYS 43 N -3.41 0.43 0.00 4.77 4.76 -0.77 -4.92 118.16 119.02 1h1n n LYS 43 Ca -0.01 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1h1n n LYS 43 Cb 0.26 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1h1n n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h1n n GLY 44 N 1.33 0.91 3.76 0.72 0.00 -0.35 -4.94 105.19 106.63 1h1n n GLY 44 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1h1n n GLY 44 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1h1n s MET 45 N -0.30 4.56 -0.02 1.61 -1.94 -0.96 -4.91 119.30 117.34 1h1n s MET 45 Ca 0.00 1.92 0.03 0.00 -1.71 0.00 0.00 55.69 55.93 1h1n s MET 45 Cb 0.00 -3.16 0.04 0.00 2.01 0.00 0.00 34.83 33.73 1h1n s MET 45 CO 0.00 0.09 0.84 0.27 -0.01 0.00 0.00 175.02 176.21 1h1n n ASN 46 N 1.09 1.01 -3.75 3.03 6.94 -0.20 -4.27 115.26 119.11 1h1n n ASN 46 Ca -0.01 -1.79 -0.13 0.00 -0.02 0.00 0.00 54.58 52.64 1h1n n ASN 46 Cb 0.44 -0.09 -0.11 0.00 -2.36 0.00 0.00 39.78 37.65 1h1n n ASN 46 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1h1n s ILE 47 N -0.75 -0.01 -0.05 1.53 2.07 -1.24 -1.11 121.20 121.64 1h1n s ILE 47 Ca 0.04 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.31 1h1n s ILE 47 Cb 0.04 -0.44 0.03 0.00 0.13 0.00 0.00 42.46 42.22 1h1n s ILE 47 CO 0.00 0.01 0.03 -0.36 -1.91 0.00 0.00 174.94 172.72 1h1n s PHE 48 N 0.48 0.35 -0.23 3.50 0.08 -0.23 -1.89 117.98 120.04 1h1n s PHE 48 Ca -0.03 0.04 -0.14 0.00 0.12 0.00 0.00 56.93 56.93 1h1n s PHE 48 Cb -0.04 -0.61 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 1h1n s PHE 48 CO -0.03 -0.24 0.31 0.50 -0.10 0.00 0.00 175.22 175.66 1h1n s ARG 49 N 1.94 4.10 -0.50 0.44 3.52 -0.66 -0.60 118.95 127.19 1h1n s ARG 49 Ca 0.03 -0.01 -0.03 0.00 -0.13 0.00 0.00 55.73 55.60 1h1n s ARG 49 Cb -0.12 -3.57 0.13 0.00 -1.56 0.00 0.00 34.95 29.83 1h1n s ARG 49 CO -0.04 -0.06 0.31 0.08 -0.81 0.00 0.00 175.30 174.78 1h1n s VAL 50 N 1.39 3.45 0.48 7.11 1.01 0.38 0.06 120.40 134.27 1h1n s VAL 50 Ca 0.14 -2.48 -0.23 0.00 0.00 0.00 0.00 61.98 59.41 1h1n s VAL 50 Cb -0.15 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.85 1h1n s VAL 50 CO 0.07 -0.77 1.27 -2.84 0.00 0.00 0.00 175.10 172.83 1h1n s PRO 51 N 0.59 3.59 0.19 2.72 0.02 -1.26 -2.27 135.00 138.58 1h1n s PRO 51 Ca 0.12 2.04 -0.14 0.00 0.02 0.00 0.00 61.00 63.05 1h1n s PRO 51 Cb -0.22 -2.45 0.01 0.00 0.02 0.00 0.00 34.50 31.87 1h1n s PRO 51 CO -0.04 -0.77 0.43 -0.59 -0.33 0.00 0.00 177.00 175.71 1h1n s PHE 52 N -1.38 0.13 -0.13 6.54 -0.71 -0.19 -4.06 117.98 118.18 1h1n s PHE 52 Ca 0.65 -0.49 -0.16 0.00 -1.04 0.00 0.00 56.93 55.88 1h1n s PHE 52 Cb -0.35 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 1h1n s PHE 52 CO 0.43 -0.86 0.40 -1.64 -1.34 0.00 0.00 175.22 172.22 1h1n s MET 53 N -3.93 4.28 0.25 1.99 -1.94 -1.26 -0.51 119.30 118.19 1h1n s MET 53 Ca 0.14 0.31 -0.03 0.00 -1.71 0.00 0.00 55.69 54.40 1h1n s MET 53 Cb 0.01 -3.42 0.47 0.00 2.01 0.00 0.00 34.83 33.89 1h1n s MET 53 CO -0.00 0.22 1.79 0.52 -0.01 0.00 0.00 175.02 177.53 1h1n h MET 54 N 6.59 0.70 0.00 2.03 0.00 -1.91 -1.88 114.93 120.47 1h1n h MET 54 Ca -0.42 -0.04 -0.06 0.00 0.00 0.00 0.00 59.70 59.18 1h1n h MET 54 Cb 1.18 -0.16 -0.01 0.00 0.00 0.00 0.00 31.60 32.61 1h1n h MET 54 CO 0.75 0.46 -0.28 0.93 0.00 0.00 0.00 176.91 178.78 1h1n h GLU 55 N 0.72 0.00 0.07 1.72 3.07 -1.94 0.94 114.58 119.17 1h1n h GLU 55 Ca 0.43 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 59.04 1h1n h GLU 55 Cb 0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1h1n h GLU 55 CO -0.30 0.28 -1.18 0.00 -1.40 0.00 0.00 179.01 176.41 1h1n h ARG 56 N 0.00 0.15 0.23 2.33 3.08 -1.72 -3.09 114.38 115.35 1h1n h ARG 56 Ca -0.00 -0.25 -0.33 0.00 0.07 0.00 0.00 59.98 59.47 1h1n h ARG 56 Cb 0.64 0.09 0.03 0.00 0.08 0.00 0.00 29.97 30.81 1h1n h ARG 56 CO 0.04 1.10 -1.47 1.25 -1.07 0.00 0.00 179.97 179.81 1h1n h LEU 57 N 0.04 0.75 -6.62 3.04 5.85 -0.99 -3.41 115.31 113.97 1h1n h LEU 57 Ca -0.09 -0.83 -0.60 0.00 0.84 0.00 0.00 57.88 57.20 1h1n h LEU 57 Cb 1.89 -0.25 -0.39 0.00 0.37 0.00 0.00 40.66 42.28 1h1n h LEU 57 CO 0.17 1.66 -0.85 -0.69 -0.34 0.00 0.00 178.44 178.38 1h1n s VAL 58 N -2.61 0.86 0.64 1.05 1.01 0.29 -0.26 120.40 121.38 1h1n s VAL 58 Ca -0.09 -2.68 -0.17 0.00 0.00 0.00 0.00 61.98 59.05 1h1n s VAL 58 Cb 0.05 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1h1n s VAL 58 CO 0.93 -1.09 1.15 -2.84 0.00 0.00 0.00 175.10 173.25 1h1n s PRO 59 N 0.10 2.80 0.00 2.72 0.02 -1.17 -4.41 135.00 135.06 1h1n s PRO 59 Ca 0.26 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.88 1h1n s PRO 59 Cb -0.08 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1h1n s PRO 59 CO -0.12 -1.29 0.00 0.09 -0.33 0.00 0.00 177.00 175.35 1h1n n ASN 60 N -2.10 0.00 -4.14 2.53 3.02 -1.26 -4.68 115.26 108.63 1h1n n ASN 60 Ca 0.12 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.38 1h1n n ASN 60 Cb 0.51 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.51 1h1n n ASN 60 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1h1n s SER 61 N 0.00 2.51 0.00 6.41 0.15 -1.26 -5.02 113.70 116.49 1h1n s SER 61 Ca 0.00 -0.44 0.20 0.00 0.70 0.00 0.00 55.95 56.41 1h1n s SER 61 Cb 0.00 -1.13 0.98 0.00 -1.71 0.00 0.00 66.02 64.16 1h1n s SER 61 CO 0.00 0.11 1.64 1.15 1.20 0.00 0.00 173.24 177.33 1h1n n MET 62 N 3.62 0.23 -0.03 5.44 0.00 -1.26 -1.58 117.12 123.54 1h1n n MET 62 Ca -0.21 0.11 0.13 0.00 0.00 0.00 0.00 57.70 57.73 1h1n n MET 62 Cb 0.52 -1.50 0.41 0.00 0.00 0.00 0.00 33.22 32.65 1h1n n MET 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1h1n n THR 63 N -1.33 0.07 -1.73 3.17 -2.24 -1.26 -3.50 114.28 107.45 1h1n n THR 63 Ca 0.09 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1h1n n THR 63 Cb 0.18 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1h1n n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h1n n GLY 64 N 1.21 0.01 3.79 3.38 0.00 -0.61 -4.93 105.19 108.04 1h1n n GLY 64 Ca 0.18 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 1h1n n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h1n s SER 65 N -1.00 6.67 0.76 1.61 0.01 -1.26 -5.00 113.70 115.49 1h1n s SER 65 Ca 0.00 2.00 -0.12 0.00 1.31 0.00 0.00 55.95 59.14 1h1n s SER 65 Cb 0.00 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.70 1h1n s SER 65 CO 0.00 -0.55 1.11 -2.84 0.41 0.00 0.00 173.24 171.37 1h1n s PRO 66 N -2.68 2.25 -0.36 12.44 0.02 -1.26 -4.36 135.00 141.06 1h1n s PRO 66 Ca 0.60 1.29 -0.29 0.00 0.02 0.00 0.00 61.00 62.62 1h1n s PRO 66 Cb -0.20 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.44 1h1n s PRO 66 CO 0.25 -1.66 1.18 0.34 -0.33 0.00 0.00 177.00 176.78 1h1n s ASP 67 N -3.05 6.74 0.26 2.53 2.15 0.64 -4.95 116.67 120.99 1h1n s ASP 67 Ca 0.64 0.94 -0.03 0.00 0.43 0.00 0.00 52.55 54.53 1h1n s ASP 67 Cb -0.19 -2.54 0.39 0.00 -0.30 0.00 0.00 42.92 40.27 1h1n s ASP 67 CO 0.52 -1.07 1.86 -0.65 -0.17 0.00 0.00 175.17 175.67 1h1n h PRO 68 N 8.89 1.04 -0.09 4.34 0.11 -1.93 -0.75 132.00 143.60 1h1n h PRO 68 Ca -0.23 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.68 1h1n h PRO 68 Cb 1.07 -0.23 0.01 0.00 0.11 0.00 0.00 31.00 31.96 1h1n h PRO 68 CO 1.06 0.69 -0.46 -0.91 -0.21 0.00 0.00 178.00 178.17 1h1n h ASN 69 N 1.07 0.57 -0.38 -2.05 2.35 -1.97 0.70 115.58 115.87 1h1n h ASN 69 Ca 0.41 -0.64 -0.16 0.00 -0.55 0.00 0.00 56.30 55.36 1h1n h ASN 69 Cb 0.20 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1h1n h ASN 69 CO -0.18 1.12 -0.38 0.22 -1.65 0.00 0.00 177.43 176.56 1h1n h TYR 70 N 0.05 1.12 -0.87 1.19 3.20 -1.83 -2.72 116.97 117.11 1h1n h TYR 70 Ca -0.03 -0.34 0.09 0.00 3.14 0.00 0.00 58.73 61.59 1h1n h TYR 70 Cb 1.10 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.07 1h1n h TYR 70 CO 0.12 1.16 0.52 1.25 -1.64 0.00 0.00 178.16 179.57 1h1n h LEU 71 N 0.75 0.78 -0.92 2.82 5.85 -1.12 -1.67 115.31 121.80 1h1n h LEU 71 Ca 0.06 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1h1n h LEU 71 Cb 0.97 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 1h1n h LEU 71 CO 0.09 0.46 0.58 0.00 -0.34 0.00 0.00 178.44 179.23 1h1n h ALA 72 N 1.45 1.26 -0.05 1.25 0.00 -0.54 0.15 119.26 122.77 1h1n h ALA 72 Ca 0.41 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 1h1n h ALA 72 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1h1n h ALA 72 CO -0.22 0.36 -0.66 -0.44 0.00 0.00 0.00 179.25 178.29 1h1n h ASP 73 N 1.07 0.25 -0.10 0.00 3.32 -1.24 -0.04 116.42 119.69 1h1n h ASP 73 Ca 0.39 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1h1n h ASP 73 Cb 0.14 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1h1n h ASP 73 CO -0.16 0.84 0.05 0.25 -1.72 0.00 0.00 179.24 178.49 1h1n h LEU 74 N 0.15 0.13 -0.54 1.55 5.85 -0.61 -0.73 115.31 121.11 1h1n h LEU 74 Ca -0.01 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.65 1h1n h LEU 74 Cb 1.18 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1h1n h LEU 74 CO 0.10 0.19 0.30 0.40 -0.34 0.00 0.00 178.44 179.09 1h1n h ILE 75 N 0.05 1.01 -0.62 4.05 2.04 -0.65 -0.18 117.51 123.22 1h1n h ILE 75 Ca 0.03 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1h1n h ILE 75 Cb 0.09 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1h1n h ILE 75 CO -0.01 0.11 0.31 0.00 0.00 0.00 0.00 178.15 178.56 1h1n h ALA 76 N 1.27 0.79 0.03 1.87 0.00 -0.81 0.96 119.26 123.37 1h1n h ALA 76 Ca 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1h1n h ALA 76 Cb 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1h1n h ALA 76 CO -0.13 0.35 -0.02 1.15 0.00 0.00 0.00 179.25 180.60 1h1n h THR 77 N 0.84 1.08 -0.05 0.00 2.02 -0.83 -1.29 112.91 114.68 1h1n h THR 77 Ca 0.21 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1h1n h THR 77 Cb 0.10 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1h1n h THR 77 CO -0.03 0.09 0.03 0.58 0.37 0.00 0.00 175.52 176.56 1h1n h VAL 78 N -0.19 1.02 0.00 3.16 2.07 -0.81 -2.62 116.25 118.87 1h1n h VAL 78 Ca -0.00 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 1h1n h VAL 78 Cb 0.18 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1h1n h VAL 78 CO 0.01 0.02 -0.38 0.78 0.02 0.00 0.00 177.57 178.01 1h1n h ASN 79 N 0.06 0.00 -0.33 0.57 -0.26 -0.79 -1.22 115.58 113.61 1h1n h ASN 79 Ca 0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.67 1h1n h ASN 79 Cb -0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1h1n h ASN 79 CO -0.00 0.38 -0.10 0.00 -1.06 0.00 0.00 177.43 176.65 1h1n h ALA 80 N 1.62 1.03 0.07 -0.83 0.00 -1.07 0.80 119.26 120.87 1h1n h ALA 80 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1h1n h ALA 80 Cb 0.91 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1h1n h ALA 80 CO 0.05 0.59 -0.03 0.82 0.00 0.00 0.00 179.25 180.68 1h1n h ILE 81 N 0.69 1.06 0.00 0.00 2.04 -1.02 -3.20 117.51 117.08 1h1n h ILE 81 Ca 0.12 -0.45 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 1h1n h ILE 81 Cb 0.56 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1h1n h ILE 81 CO 0.03 0.11 -0.46 0.71 0.00 0.00 0.00 178.15 178.55 1h1n h THR 82 N -0.30 1.18 0.00 -0.27 1.35 -1.10 -2.30 112.91 111.48 1h1n h THR 82 Ca -0.01 -1.65 -0.02 0.00 -0.55 0.00 0.00 66.41 64.18 1h1n h THR 82 Cb 0.26 1.93 -0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1h1n h THR 82 CO 0.02 0.45 -0.11 -0.61 -0.25 0.00 0.00 175.52 175.02 1h1n h GLN 83 N 0.00 0.00 -0.11 4.72 5.75 -0.88 0.60 115.11 125.19 1h1n h GLN 83 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1h1n h GLN 83 Cb 0.89 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.44 1h1n h GLN 83 CO 0.06 0.11 0.00 1.63 -2.65 0.00 0.00 178.83 177.98 1h1n n LYS 84 N -3.73 1.60 -0.61 1.69 4.76 -0.88 -4.93 118.16 116.06 1h1n n LYS 84 Ca -0.02 -0.90 0.00 0.00 -2.87 0.00 0.00 58.31 54.52 1h1n n LYS 84 Cb 0.22 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1h1n n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h1n n GLY 85 N 1.09 0.78 3.89 0.72 0.00 0.20 -5.05 105.19 106.82 1h1n n GLY 85 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1h1n n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h1n s ALA 86 N -2.90 3.33 0.19 4.61 0.00 -1.10 -5.00 121.76 120.90 1h1n s ALA 86 Ca 0.00 -0.34 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 1h1n s ALA 86 Cb 0.00 -2.72 -0.08 0.00 0.00 0.00 0.00 23.12 20.32 1h1n s ALA 86 CO 0.00 -0.32 0.79 0.71 0.00 0.00 0.00 175.76 176.93 1h1n s TYR 87 N -2.72 3.85 -0.20 0.00 1.51 -0.27 -3.67 117.35 115.85 1h1n s TYR 87 Ca 0.50 1.61 0.00 0.00 -1.01 0.00 0.00 57.07 58.17 1h1n s TYR 87 Cb -0.10 -2.76 0.02 0.00 -0.11 0.00 0.00 41.96 39.01 1h1n s TYR 87 CO 0.43 0.46 -0.16 0.00 -1.11 0.00 0.00 175.55 175.17 1h1n s ALA 88 N -1.26 2.45 -0.31 3.71 0.00 -0.41 -1.07 121.76 124.87 1h1n s ALA 88 Ca 0.38 -1.27 -0.17 0.00 0.00 0.00 0.00 51.96 50.90 1h1n s ALA 88 Cb -0.22 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1h1n s ALA 88 CO 0.25 -0.46 0.46 0.08 0.00 0.00 0.00 175.76 176.09 1h1n s VAL 89 N 1.31 5.08 -0.55 0.00 1.01 0.24 -0.68 120.40 126.80 1h1n s VAL 89 Ca 0.04 0.49 -0.25 0.00 0.00 0.00 0.00 61.98 62.26 1h1n s VAL 89 Cb -0.14 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.43 1h1n s VAL 89 CO -0.10 -0.04 0.99 -0.69 0.00 0.00 0.00 175.10 175.26 1h1n s VAL 90 N 2.25 4.32 -0.43 2.92 1.01 0.12 -0.47 120.40 130.13 1h1n s VAL 90 Ca 0.18 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1h1n s VAL 90 Cb -0.16 -4.57 0.12 0.00 0.00 0.00 0.00 36.38 31.77 1h1n s VAL 90 CO 0.11 -1.15 0.19 -0.62 0.00 0.00 0.00 175.10 173.64 1h1n s ASP 91 N 2.84 4.98 -0.48 3.32 2.15 -0.96 -1.52 116.67 127.00 1h1n s ASP 91 Ca 0.33 -2.31 -0.27 0.00 0.43 0.00 0.00 52.55 50.73 1h1n s ASP 91 Cb -0.11 -1.75 -0.02 0.00 -0.30 0.00 0.00 42.92 40.74 1h1n s ASP 91 CO 0.21 -0.43 1.82 -2.16 -0.17 0.00 0.00 175.17 174.44 1h1n s PRO 92 N 0.72 2.96 -1.27 4.34 0.05 -1.26 -1.02 135.00 139.52 1h1n s PRO 92 Ca 0.11 0.99 -0.06 0.00 0.05 0.00 0.00 61.00 62.09 1h1n s PRO 92 Cb -0.22 -4.29 0.16 0.00 0.05 0.00 0.00 34.50 30.20 1h1n s PRO 92 CO -0.05 -2.32 2.10 1.58 0.05 0.00 0.00 177.00 178.37 1h1n n HIS 93 N 11.59 2.69 -0.03 0.56 -0.00 0.33 -1.88 115.22 128.49 1h1n n HIS 93 Ca 0.22 -2.77 0.00 0.00 0.46 0.00 0.00 57.72 55.62 1h1n n HIS 93 Cb 0.50 -1.80 0.00 0.00 -0.12 0.00 0.00 29.99 28.57 1h1n n HIS 93 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1h1n n ASN 94 N 2.37 0.80 -1.83 0.26 4.13 -1.26 -4.88 115.26 114.85 1h1n n ASN 94 Ca 0.51 -0.91 -0.17 0.00 1.68 0.00 0.00 54.58 55.68 1h1n n ASN 94 Cb 0.30 0.16 -0.02 0.00 -1.54 0.00 0.00 39.78 38.67 1h1n n ASN 94 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1h1n n TYR 95 N -0.16 -0.63 -1.18 3.10 4.01 0.57 -1.29 117.16 121.58 1h1n n TYR 95 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 1h1n n TYR 95 Cb 0.01 -3.36 -0.03 0.00 -0.31 0.00 0.00 39.34 35.65 1h1n n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h1n n GLY 96 N -0.97 0.80 3.13 2.72 0.00 -1.26 -4.23 105.19 105.39 1h1n n GLY 96 Ca -0.20 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 1h1n n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h1n s ARG 97 N -2.11 0.73 -0.05 1.61 0.52 -0.41 -1.06 118.95 118.18 1h1n s ARG 97 Ca 0.00 -0.86 -0.01 0.00 -0.52 0.00 0.00 55.73 54.34 1h1n s ARG 97 Cb 0.00 -0.66 0.03 0.00 0.52 0.00 0.00 34.95 34.83 1h1n s ARG 97 CO 0.00 0.15 0.02 -0.47 0.02 0.00 0.00 175.30 175.02 1h1n s TYR 98 N -1.24 0.36 -1.55 -0.53 5.04 0.10 -4.68 117.35 114.85 1h1n s TYR 98 Ca -0.04 0.03 -0.08 0.00 -2.44 0.00 0.00 57.07 54.54 1h1n s TYR 98 Cb -0.10 -0.58 0.07 0.00 0.35 0.00 0.00 41.96 41.70 1h1n s TYR 98 CO 0.02 -0.23 0.54 0.66 -1.34 0.00 0.00 175.55 175.20 1h1n n TYR 99 N 4.94 -1.65 -1.45 4.97 4.01 -1.26 -1.90 117.16 124.82 1h1n n TYR 99 Ca -0.11 0.76 -0.16 0.00 -0.16 0.00 0.00 57.90 58.23 1h1n n TYR 99 Cb 0.50 -3.31 -0.07 0.00 -0.31 0.00 0.00 39.34 36.15 1h1n n TYR 99 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1h1n n ASN 100 N -2.84 -5.55 -4.51 7.72 0.23 -1.26 -4.99 115.26 104.06 1h1n n ASN 100 Ca -0.15 0.39 -0.33 0.00 -0.53 0.00 0.00 54.58 53.96 1h1n n ASN 100 Cb 0.60 -4.42 -0.12 0.00 -2.08 0.00 0.00 39.78 33.76 1h1n n ASN 100 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1h1n s SER 101 N -2.61 4.24 0.25 0.53 0.01 -0.80 -5.03 113.70 110.30 1h1n s SER 101 Ca 0.00 -0.14 -0.31 0.00 1.31 0.00 0.00 55.95 56.81 1h1n s SER 101 Cb 0.00 -0.95 -0.13 0.00 0.21 0.00 0.00 66.02 65.15 1h1n s SER 101 CO 0.00 0.35 1.41 -0.38 0.41 0.00 0.00 173.24 175.02 1h1n n ILE 102 N 2.24 1.06 -2.15 1.44 5.41 -1.26 -0.72 119.36 125.37 1h1n n ILE 102 Ca -0.17 -0.27 -0.39 0.00 1.00 0.00 0.00 62.75 62.92 1h1n n ILE 102 Cb 0.52 -1.51 -0.03 0.00 -0.71 0.00 0.00 39.64 37.91 1h1n n ILE 102 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1h1n s ILE 103 N -0.16 3.45 -2.83 1.39 1.01 -0.23 -4.81 121.20 119.02 1h1n s ILE 103 Ca 0.67 0.27 0.23 0.00 0.00 0.00 0.00 60.65 61.81 1h1n s ILE 103 Cb -0.63 -4.15 0.17 0.00 0.01 0.00 0.00 42.46 37.86 1h1n s ILE 103 CO 0.51 -1.10 1.22 -1.54 0.00 0.00 0.00 174.94 174.03 1h1n n SER 104 N 11.91 2.87 -4.10 3.58 3.41 -1.26 -4.81 113.62 125.22 1h1n n SER 104 Ca 0.17 -1.93 -0.35 0.00 -0.26 0.00 0.00 58.87 56.50 1h1n n SER 104 Cb 0.51 0.03 -0.13 0.00 -0.26 0.00 0.00 64.21 64.36 1h1n n SER 104 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1h1n s SER 105 N -1.95 5.08 0.38 4.04 0.15 -1.26 -4.96 113.70 115.18 1h1n s SER 105 Ca 0.26 -1.98 0.05 0.00 0.70 0.00 0.00 55.95 54.99 1h1n s SER 105 Cb 0.19 -1.76 0.75 0.00 -1.71 0.00 0.00 66.02 63.49 1h1n s SER 105 CO 0.30 -0.47 2.01 -0.65 1.20 0.00 0.00 173.24 175.63 1h1n h PRO 106 N 7.92 0.70 -0.57 5.44 0.11 -1.91 -2.03 132.00 141.66 1h1n h PRO 106 Ca -0.11 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.86 1h1n h PRO 106 Cb 1.04 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 1h1n h PRO 106 CO 0.63 0.46 -0.02 1.03 -0.21 0.00 0.00 178.00 179.89 1h1n h SER 107 N 0.72 1.01 -0.70 -2.05 0.87 -1.95 0.11 113.55 111.56 1h1n h SER 107 Ca 0.24 -0.32 0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1h1n h SER 107 Cb 0.06 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 1h1n h SER 107 CO -0.06 1.09 0.44 0.44 -0.53 0.00 0.00 176.83 178.21 1h1n h ASP 108 N 0.92 0.73 -0.21 6.23 3.32 -1.90 -1.91 116.42 123.60 1h1n h ASP 108 Ca 0.16 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 1h1n h ASP 108 Cb 0.58 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1h1n h ASP 108 CO 0.03 0.51 -0.19 0.15 -1.72 0.00 0.00 179.24 178.03 1h1n h PHE 109 N 0.87 0.72 -0.73 4.55 -0.00 -0.97 -1.54 116.94 119.84 1h1n h PHE 109 Ca 0.27 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.97 58.10 1h1n h PHE 109 Cb -0.01 -0.18 -0.04 0.00 -0.00 0.00 0.00 35.95 35.73 1h1n h PHE 109 CO -0.04 0.79 0.44 1.49 -0.00 0.00 0.00 178.31 180.99 1h1n h GLU 110 N 0.58 0.99 -0.43 1.11 4.81 -0.48 -0.64 114.58 120.51 1h1n h GLU 110 Ca 0.09 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1h1n h GLU 110 Cb 0.64 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1h1n h GLU 110 CO 0.05 0.70 0.06 1.15 -0.73 0.00 0.00 179.01 180.23 1h1n h THR 111 N 0.99 1.25 -0.54 0.32 2.02 -0.97 0.12 112.91 116.11 1h1n h THR 111 Ca 0.26 -0.92 0.11 0.00 0.77 0.00 0.00 66.41 66.63 1h1n h THR 111 Cb -0.03 1.01 -0.10 0.00 -1.74 0.00 0.00 68.15 67.28 1h1n h THR 111 CO -0.05 0.32 -0.08 0.15 0.37 0.00 0.00 175.52 176.22 1h1n h PHE 112 N 0.58 -0.19 -0.14 3.16 3.57 -1.08 -0.54 116.94 122.30 1h1n h PHE 112 Ca 0.13 0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.53 1h1n h PHE 112 Cb 0.40 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1h1n h PHE 112 CO 0.03 -0.20 -0.54 -1.49 -2.23 0.00 0.00 178.31 173.88 1h1n h TRP 113 N 0.04 0.51 -0.69 0.41 4.06 -0.59 -0.58 115.95 119.11 1h1n h TRP 113 Ca 0.27 -0.18 -0.02 0.00 2.06 0.00 0.00 58.89 61.02 1h1n h TRP 113 Cb 0.41 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 1h1n h TRP 113 CO -0.41 0.86 0.35 -0.22 -3.56 0.00 0.00 178.44 175.46 1h1n h LYS 114 N 0.32 0.98 -0.06 0.49 3.64 -0.54 0.38 116.57 121.79 1h1n h LYS 114 Ca 0.01 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1h1n h LYS 114 Cb 1.05 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1h1n h LYS 114 CO 0.09 0.76 -0.09 1.15 -2.27 0.00 0.00 179.45 179.10 1h1n h THR 115 N 0.95 0.76 -0.13 1.00 2.02 -0.63 -1.29 112.91 115.59 1h1n h THR 115 Ca 0.24 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 1h1n h THR 115 Cb 0.09 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1h1n h THR 115 CO -0.03 0.00 0.03 0.58 0.37 0.00 0.00 175.52 176.46 1h1n h VAL 116 N -0.13 1.21 -0.05 3.16 2.07 -0.96 -3.08 116.25 118.47 1h1n h VAL 116 Ca 0.05 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1h1n h VAL 116 Cb 0.20 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1h1n h VAL 116 CO -0.13 0.19 -0.10 0.00 0.02 0.00 0.00 177.57 177.55 1h1n h ALA 117 N 0.82 1.74 0.00 1.67 0.00 -0.85 -1.54 119.26 121.09 1h1n h ALA 117 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1h1n h ALA 117 Cb 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1h1n h ALA 117 CO 0.00 0.20 -0.07 0.77 0.00 0.00 0.00 179.25 180.15 1h1n h SER 118 N 0.08 0.00 1.05 0.00 0.02 -1.14 -0.83 113.55 112.73 1h1n h SER 118 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1h1n h SER 118 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1h1n h SER 118 CO 0.01 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 175.78 1h1n n GLN 119 N -3.41 0.17 -0.25 3.45 1.13 -0.58 -3.92 117.38 113.97 1h1n n GLN 119 Ca -0.02 0.25 0.01 0.00 -1.94 0.00 0.00 57.00 55.31 1h1n n GLN 119 Cb 0.22 -1.74 0.02 0.00 0.11 0.00 0.00 30.24 28.85 1h1n n GLN 119 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1h1n n PHE 120 N -2.04 0.00 0.23 1.08 3.72 -0.41 -4.95 117.46 115.09 1h1n n PHE 120 Ca 0.04 -0.18 0.07 0.00 -0.05 0.00 0.00 57.45 57.33 1h1n n PHE 120 Cb 0.32 -0.05 0.55 0.00 -0.94 0.00 0.00 39.48 39.37 1h1n n PHE 120 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1h1n h ALA 121 N 0.00 1.60 -0.34 4.37 0.00 -1.42 -1.60 119.26 121.87 1h1n h ALA 121 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1h1n h ALA 121 Cb 1.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1h1n h ALA 121 CO 0.00 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 1h1n n SER 122 N -4.16 3.09 -4.40 0.00 3.41 -1.26 -4.31 113.62 105.99 1h1n n SER 122 Ca -0.02 -1.94 -0.44 0.00 -0.26 0.00 0.00 58.87 56.20 1h1n n SER 122 Cb 0.24 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 63.90 1h1n n SER 122 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1h1n s ASN 123 N -1.51 6.13 0.00 4.04 3.04 -0.60 -4.95 114.94 121.09 1h1n s ASN 123 Ca 0.37 -1.27 0.25 0.00 0.04 0.00 0.00 52.86 52.25 1h1n s ASN 123 Cb 0.22 -2.17 1.22 0.00 -1.54 0.00 0.00 41.25 38.97 1h1n s ASN 123 CO 0.30 -0.61 1.82 -0.81 -3.04 0.00 0.00 177.10 174.76 1h1n n PRO 124 N 5.19 0.30 0.00 0.43 -0.04 -1.26 -2.67 135.00 136.94 1h1n n PRO 124 Ca -0.12 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1h1n n PRO 124 Cb 0.44 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.72 1h1n n PRO 124 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1h1n n LEU 125 N -1.32 1.75 -4.78 1.53 4.77 -1.26 -4.65 117.00 113.05 1h1n n LEU 125 Ca 0.11 -0.57 -0.39 0.00 -0.03 0.00 0.00 56.01 55.12 1h1n n LEU 125 Cb 0.21 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1h1n n LEU 125 CO 0.19 0.30 0.46 -0.69 -1.33 0.00 0.00 177.39 176.33 1h1n s VAL 126 N -2.20 4.41 -0.10 4.08 1.01 -1.09 -1.29 120.40 125.22 1h1n s VAL 126 Ca 0.29 1.63 0.04 0.00 0.00 0.00 0.00 61.98 63.94 1h1n s VAL 126 Cb 0.20 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1h1n s VAL 126 CO 0.41 0.49 -0.23 -0.63 0.00 0.00 0.00 175.10 175.15 1h1n s ILE 127 N -1.19 1.94 -0.20 2.22 1.01 0.15 -4.22 121.20 120.91 1h1n s ILE 127 Ca 0.36 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.93 1h1n s ILE 127 Cb -0.22 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 1h1n s ILE 127 CO 0.25 0.53 0.25 -0.36 0.00 0.00 0.00 174.94 175.62 1h1n s PHE 128 N 0.38 3.39 -0.28 3.97 0.08 -0.82 -0.70 117.98 124.00 1h1n s PHE 128 Ca -0.18 0.45 -0.05 0.00 0.12 0.00 0.00 56.93 57.27 1h1n s PHE 128 Cb -0.18 -2.34 0.01 0.00 -0.57 0.00 0.00 43.02 39.95 1h1n s PHE 128 CO 0.08 0.14 0.04 0.34 -0.10 0.00 0.00 175.22 175.72 1h1n s ASP 129 N 0.75 4.89 0.23 1.36 -1.08 -0.57 -0.36 116.67 121.89 1h1n s ASP 129 Ca 0.13 -0.74 -0.07 0.00 -0.52 0.00 0.00 52.55 51.35 1h1n s ASP 129 Cb -0.13 -1.82 0.28 0.00 -1.46 0.00 0.00 42.92 39.79 1h1n s ASP 129 CO 0.04 -0.17 1.83 0.71 0.52 0.00 0.00 175.17 178.11 1h1n h THR 130 N 5.93 1.02 -1.33 1.71 1.35 -1.51 -3.37 112.91 116.71 1h1n h THR 130 Ca -0.32 -0.29 0.14 0.00 -0.55 0.00 0.00 66.41 65.39 1h1n h THR 130 Cb 1.12 0.10 -0.27 0.00 -1.73 0.00 0.00 68.15 67.36 1h1n h THR 130 CO 0.59 0.15 0.70 -0.62 -0.25 0.00 0.00 175.52 176.10 1h1n s ASP 131 N -5.70 -0.24 -0.10 5.36 -1.08 -1.26 -4.76 116.67 108.89 1h1n s ASP 131 Ca -0.13 0.37 -0.30 0.00 -0.52 0.00 0.00 52.55 51.97 1h1n s ASP 131 Cb 0.17 0.34 -0.02 0.00 -1.46 0.00 0.00 42.92 41.95 1h1n s ASP 131 CO 0.78 -0.14 1.23 0.21 0.52 0.00 0.00 175.17 177.77 1h1n s ASN 132 N -0.45 7.00 -0.96 -0.34 2.47 -0.79 -4.57 114.94 117.31 1h1n s ASN 132 Ca 0.04 1.77 -0.09 0.00 0.42 0.00 0.00 52.86 55.00 1h1n s ASN 132 Cb -0.03 -2.55 -0.02 0.00 -1.45 0.00 0.00 41.25 37.20 1h1n s ASN 132 CO -0.07 -0.66 0.77 -0.62 -3.72 0.00 0.00 177.10 172.80 1h1n n GLU 133 N 5.81 -1.52 -1.56 0.43 1.02 -1.26 -0.32 120.64 123.24 1h1n n GLU 133 Ca 0.12 0.90 -0.41 0.00 -0.02 0.00 0.00 57.16 57.75 1h1n n GLU 133 Cb 0.46 -4.75 0.01 0.00 -0.02 0.00 0.00 31.44 27.14 1h1n n GLU 133 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1h1n n TYR 134 N -3.05 0.58 -3.50 -0.32 4.01 -1.22 -4.31 117.16 109.34 1h1n n TYR 134 Ca -0.09 0.56 -0.11 0.00 -0.16 0.00 0.00 57.90 58.10 1h1n n TYR 134 Cb 0.58 -2.14 -0.03 0.00 -0.31 0.00 0.00 39.34 37.44 1h1n n TYR 134 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 1h1n s HIS 135 N -1.36 -0.46 -1.26 -0.72 -3.43 -1.26 -0.72 115.29 106.08 1h1n s HIS 135 Ca 0.64 0.49 -0.13 0.00 -0.80 0.00 0.00 55.06 55.27 1h1n s HIS 135 Cb -0.56 0.50 -0.00 0.00 -1.43 0.00 0.00 32.58 31.09 1h1n s HIS 135 CO 0.56 -0.59 0.63 -0.25 -2.00 0.00 0.00 174.74 173.09 1h1n n ASP 136 N 0.12 -3.01 -3.69 7.38 8.00 -1.26 -4.94 116.55 119.15 1h1n n ASP 136 Ca -0.13 -1.03 -0.09 0.00 0.71 0.00 0.00 54.79 54.26 1h1n n ASP 136 Cb 0.61 -3.15 -0.02 0.00 -0.02 0.00 0.00 41.12 38.54 1h1n n ASP 136 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h1n s MET 137 N -6.32 1.59 0.26 -1.24 0.23 -1.26 -5.11 119.30 107.46 1h1n s MET 137 Ca 0.26 -0.79 -0.31 0.00 -1.03 0.00 0.00 55.69 53.83 1h1n s MET 137 Cb -0.10 0.60 -0.11 0.00 -1.53 0.00 0.00 34.83 33.69 1h1n s MET 137 CO 0.88 -0.72 1.60 0.34 -2.03 0.00 0.00 175.02 175.09 1h1n s ASP 138 N -2.85 6.43 0.20 -1.18 2.15 -1.26 -4.91 116.67 115.24 1h1n s ASP 138 Ca 0.07 2.87 -0.04 0.00 0.43 0.00 0.00 52.55 55.88 1h1n s ASP 138 Cb -0.04 -2.62 0.15 0.00 -0.30 0.00 0.00 42.92 40.11 1h1n s ASP 138 CO -0.01 -0.89 1.56 -0.61 -0.17 0.00 0.00 175.17 175.05 1h1n h GLN 139 N 5.45 0.66 -0.46 4.34 5.75 -2.00 -1.86 115.11 126.99 1h1n h GLN 139 Ca -0.46 -0.34 -0.11 0.00 -0.15 0.00 0.00 58.65 57.60 1h1n h GLN 139 Cb 1.21 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 1h1n h GLN 139 CO 0.84 0.94 -0.14 1.15 -2.65 0.00 0.00 178.83 178.97 1h1n h THR 140 N 0.54 1.26 -0.48 2.39 2.02 -1.99 -2.64 112.91 114.00 1h1n h THR 140 Ca 0.05 -1.24 0.05 0.00 0.77 0.00 0.00 66.41 66.03 1h1n h THR 140 Cb 0.93 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 1h1n h THR 140 CO 0.08 0.43 0.23 0.25 0.37 0.00 0.00 175.52 176.88 1h1n h LEU 141 N 0.77 0.32 -0.63 2.58 5.85 -1.86 -0.25 115.31 122.08 1h1n h LEU 141 Ca 0.12 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1h1n h LEU 141 Cb 0.65 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1h1n h LEU 141 CO 0.05 0.22 0.39 0.58 -0.34 0.00 0.00 178.44 179.34 1h1n h VAL 142 N 0.45 1.08 -0.11 1.05 2.07 -1.15 0.23 116.25 119.87 1h1n h VAL 142 Ca 0.21 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1h1n h VAL 142 Cb 0.14 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1h1n h VAL 142 CO -0.16 0.14 -0.05 0.25 0.02 0.00 0.00 177.57 177.77 1h1n h LEU 143 N 0.77 -0.16 -1.19 2.57 5.85 -1.10 -1.91 115.31 120.13 1h1n h LEU 143 Ca 0.25 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 1h1n h LEU 143 Cb 0.01 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1h1n h LEU 143 CO -0.10 -0.06 -0.09 0.78 -0.34 0.00 0.00 178.44 178.63 1h1n h ASN 144 N -0.03 0.43 -0.26 1.25 -0.26 -0.27 -0.56 115.58 115.88 1h1n h ASN 144 Ca 0.06 -0.10 -0.08 0.00 -0.56 0.00 0.00 56.30 55.63 1h1n h ASN 144 Cb 0.12 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1h1n h ASN 144 CO -0.13 0.56 -0.13 -0.07 -1.06 0.00 0.00 177.43 176.60 1h1n h LEU 145 N 0.42 0.56 -0.61 1.61 3.38 -0.43 0.46 115.31 120.71 1h1n h LEU 145 Ca 0.08 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.70 1h1n h LEU 145 Cb 0.42 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1h1n h LEU 145 CO 0.02 0.85 0.31 0.78 0.09 0.00 0.00 178.44 180.50 1h1n h ASN 146 N 0.27 0.45 -0.59 -0.43 2.35 -1.01 -1.13 115.58 115.48 1h1n h ASN 146 Ca 0.06 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 1h1n h ASN 146 Cb 0.64 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 1h1n h ASN 146 CO 0.04 0.29 0.07 -0.61 -1.65 0.00 0.00 177.43 175.57 1h1n h GLN 147 N 0.59 1.00 -0.92 0.81 5.75 -0.93 -1.98 115.11 119.42 1h1n h GLN 147 Ca 0.28 -0.28 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1h1n h GLN 147 Cb 0.20 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 1h1n h GLN 147 CO -0.19 0.95 0.60 0.00 -2.65 0.00 0.00 178.83 177.54 1h1n h ALA 148 N 1.01 1.21 -0.00 3.38 0.00 -0.65 0.04 119.26 124.25 1h1n h ALA 148 Ca 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1h1n h ALA 148 Cb 0.45 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1h1n h ALA 148 CO 0.02 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1h1n h ALA 149 N 1.37 0.01 -0.42 0.00 0.00 -0.91 -0.47 119.26 118.83 1h1n h ALA 149 Ca 0.36 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1h1n h ALA 149 Cb -0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1h1n h ALA 149 CO -0.11 -0.47 0.13 0.82 0.00 0.00 0.00 179.25 179.62 1h1n h ILE 150 N -0.04 0.84 -0.73 0.00 2.04 -0.98 -0.21 117.51 118.44 1h1n h ILE 150 Ca 0.00 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1h1n h ILE 150 Cb 0.05 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1h1n h ILE 150 CO -0.00 0.05 0.39 0.44 0.00 0.00 0.00 178.15 179.03 1h1n h ASP 151 N 0.29 0.91 -0.36 1.72 3.32 -0.80 -0.45 116.42 121.05 1h1n h ASP 151 Ca 0.20 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1h1n h ASP 151 Cb 0.21 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1h1n h ASP 151 CO -0.22 0.75 0.02 1.23 -1.72 0.00 0.00 179.24 179.30 1h1n h GLY 152 N 1.00 0.66 0.73 2.75 0.00 -0.63 -1.10 103.07 106.48 1h1n h GLY 152 Ca 0.25 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.12 1h1n h GLY 152 CO -0.04 0.44 -0.17 -2.22 0.00 0.00 0.00 176.54 174.55 1h1n h ILE 153 N 0.43 0.62 -0.15 2.60 2.04 -0.76 -2.71 117.51 119.57 1h1n h ILE 153 Ca 0.10 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 1h1n h ILE 153 Cb 0.42 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1h1n h ILE 153 CO 0.01 0.00 -0.28 0.03 0.00 0.00 0.00 178.15 177.91 1h1n h ARG 154 N -0.33 0.29 0.00 2.37 2.47 -1.05 -2.23 114.38 115.90 1h1n h ARG 154 Ca 0.02 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 1h1n h ARG 154 Cb 0.34 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1h1n h ARG 154 CO -0.08 0.55 -0.05 0.66 0.56 0.00 0.00 179.97 181.61 1h1n h SER 155 N 0.26 0.00 0.13 7.04 4.64 -0.94 -0.57 113.55 124.12 1h1n h SER 155 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1h1n h SER 155 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1h1n h SER 155 CO 0.05 0.05 -0.01 0.00 -0.87 0.00 0.00 176.83 176.05 1h1n n ALA 156 N -2.25 2.65 -0.92 5.18 0.00 -0.85 -4.88 120.51 119.44 1h1n n ALA 156 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1h1n n ALA 156 Cb 0.16 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1h1n n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h1n n GLY 157 N 1.09 0.52 3.45 0.00 0.00 -0.22 -4.82 105.19 105.21 1h1n n GLY 157 Ca 0.21 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1h1n n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h1n s ALA 158 N -2.00 4.00 -0.49 4.61 0.00 -1.15 -4.70 121.76 122.03 1h1n s ALA 158 Ca 0.00 -3.34 0.16 0.00 0.00 0.00 0.00 51.96 48.78 1h1n s ALA 158 Cb 0.00 -4.07 -0.21 0.00 0.00 0.00 0.00 23.12 18.85 1h1n s ALA 158 CO 0.00 -2.74 0.57 0.25 0.00 0.00 0.00 175.76 173.84 1h1n n THR 159 N 4.54 0.00 0.16 0.00 -2.24 -1.26 -4.20 114.28 111.28 1h1n n THR 159 Ca 0.34 -0.21 0.10 0.00 -2.27 0.00 0.00 64.05 62.01 1h1n n THR 159 Cb 0.43 0.68 0.08 0.00 -2.10 0.00 0.00 70.33 69.42 1h1n n THR 159 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1h1n h SER 160 N 0.00 0.00 -3.63 3.42 4.64 -1.86 -3.45 113.55 112.67 1h1n h SER 160 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1h1n h SER 160 Cb 0.52 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 1h1n h SER 160 CO 0.00 0.09 0.15 -1.10 -0.87 0.00 0.00 176.83 175.11 1h1n s GLN 161 N -3.22 4.31 0.53 4.77 1.11 -1.26 -4.95 119.66 120.95 1h1n s GLN 161 Ca 0.03 0.96 -0.20 0.00 0.01 0.00 0.00 55.36 56.16 1h1n s GLN 161 Cb 0.07 -2.86 -0.06 0.00 -1.01 0.00 0.00 33.01 29.16 1h1n s GLN 161 CO 0.73 0.37 1.16 0.71 0.01 0.00 0.00 175.29 178.26 1h1n s TYR 162 N -1.55 2.67 -0.16 0.91 2.02 -1.26 -4.86 117.35 115.11 1h1n s TYR 162 Ca 0.45 1.53 0.02 0.00 -0.37 0.00 0.00 57.07 58.69 1h1n s TYR 162 Cb -0.17 -3.36 0.02 0.00 -0.40 0.00 0.00 41.96 38.05 1h1n s TYR 162 CO 0.21 -1.69 -0.21 0.42 -1.57 0.00 0.00 175.55 172.71 1h1n s ILE 163 N -1.67 2.06 -0.29 2.71 1.01 -0.64 -1.95 121.20 122.43 1h1n s ILE 163 Ca 0.71 -0.96 -0.21 0.00 0.00 0.00 0.00 60.65 60.20 1h1n s ILE 163 Cb -0.27 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 1h1n s ILE 163 CO 0.30 0.54 0.65 -0.36 0.00 0.00 0.00 174.94 176.08 1h1n s PHE 164 N 1.10 3.23 0.13 3.97 0.40 0.52 -1.01 117.98 126.32 1h1n s PHE 164 Ca 0.00 0.67 -0.02 0.00 -0.60 0.00 0.00 56.93 56.98 1h1n s PHE 164 Cb -0.14 -2.98 -0.05 0.00 0.51 0.00 0.00 43.02 40.36 1h1n s PHE 164 CO -0.09 -0.45 0.32 0.14 0.70 0.00 0.00 175.22 175.85 1h1n s VAL 165 N 2.63 5.25 0.02 -0.44 -7.23 -0.36 -1.34 120.40 118.92 1h1n s VAL 165 Ca 0.26 -0.19 0.05 0.00 -1.81 0.00 0.00 61.98 60.29 1h1n s VAL 165 Cb -0.15 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.13 1h1n s VAL 165 CO 0.11 0.03 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.17 1h1n s GLU 166 N -2.75 1.07 0.63 4.82 2.02 -1.26 -0.81 118.70 122.42 1h1n s GLU 166 Ca 0.39 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.71 1h1n s GLU 166 Cb -0.12 -1.08 0.12 0.00 0.10 0.00 0.00 34.13 33.15 1h1n s GLU 166 CO 0.27 0.28 0.86 0.41 0.02 0.00 0.00 175.26 177.10 1h1n n GLY 167 N 2.23 0.85 3.59 -1.39 0.00 -1.26 -4.84 105.19 104.37 1h1n n GLY 167 Ca -0.16 -2.05 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 1h1n n GLY 167 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h1n s ASN 168 N -4.55 0.61 -1.44 1.61 3.84 -1.26 -2.67 114.94 111.07 1h1n s ASN 168 Ca 0.58 0.48 -0.10 0.00 0.21 0.00 0.00 52.86 54.03 1h1n s ASN 168 Cb -0.03 -0.60 0.03 0.00 -0.55 0.00 0.00 41.25 40.10 1h1n s ASN 168 CO 0.38 -4.30 1.01 -1.20 -2.79 0.00 0.00 177.10 170.20 1h1n n SER 169 N -4.86 -5.82 -2.47 -4.21 7.64 -1.13 -1.46 113.62 101.32 1h1n n SER 169 Ca 0.15 -0.56 -0.21 0.00 1.01 0.00 0.00 58.87 59.26 1h1n n SER 169 Cb 0.60 -4.62 -0.00 0.00 -1.01 0.00 0.00 64.21 59.18 1h1n n SER 169 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1h1n n TRP 170 N -4.80 -1.11 -2.90 1.43 7.02 0.10 -1.91 117.44 115.27 1h1n n TRP 170 Ca -0.00 0.06 -0.13 0.00 -1.02 0.00 0.00 57.50 56.41 1h1n n TRP 170 Cb 0.56 -4.04 -0.01 0.00 -2.42 0.00 0.00 31.31 25.40 1h1n n TRP 170 CO 0.00 0.00 0.00 -2.37 -2.02 0.00 0.00 177.69 173.30 1h1n n THR 171 N -4.07 -0.35 -2.11 -0.99 5.66 -0.53 -4.61 114.28 107.28 1h1n n THR 171 Ca -0.23 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.36 1h1n n THR 171 Cb 0.68 -0.87 -0.02 0.00 -1.55 0.00 0.00 70.33 68.57 1h1n n THR 171 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1h1n s GLY 172 N -2.30 2.92 0.14 1.09 0.00 -0.80 -0.82 107.32 107.55 1h1n s GLY 172 Ca 0.18 1.26 -0.12 0.00 0.00 0.00 0.00 44.72 46.04 1h1n s GLY 172 CO 0.22 1.95 1.55 0.00 0.00 0.00 0.00 173.10 176.81 1h1n h ALA 173 N 3.61 0.63 0.00 3.20 0.00 -1.42 -2.77 119.26 122.50 1h1n h ALA 173 Ca -0.48 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 1h1n h ALA 173 Cb 1.22 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1h1n h ALA 173 CO 0.67 0.54 -0.09 0.11 0.00 0.00 0.00 179.25 180.48 1h1n h TRP 174 N 0.72 0.00 -0.31 0.00 5.08 -1.75 -2.16 115.95 117.54 1h1n h TRP 174 Ca 0.11 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.08 1h1n h TRP 174 Cb 0.68 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.84 1h1n h TRP 174 CO 0.05 0.09 0.00 0.25 -1.28 0.00 0.00 178.44 177.55 1h1n n THR 175 N -3.68 0.57 0.25 0.12 -2.24 -1.18 -4.76 114.28 103.37 1h1n n THR 175 Ca -0.02 -0.79 -0.16 0.00 -2.27 0.00 0.00 64.05 60.82 1h1n n THR 175 Cb 0.20 0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 69.21 1h1n n THR 175 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1h1n h TRP 176 N 3.18 -0.57 -0.32 4.78 2.91 -1.10 -3.09 115.95 121.74 1h1n h TRP 176 Ca 0.00 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.93 1h1n h TRP 176 Cb 0.79 0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 29.61 1h1n h TRP 176 CO 0.20 -0.31 -0.14 1.79 -1.03 0.00 0.00 178.44 178.96 1h1n h THR 177 N -0.71 1.24 -0.00 2.65 1.35 -1.86 0.20 112.91 115.79 1h1n h THR 177 Ca -0.06 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1h1n h THR 177 Cb 0.52 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1h1n h THR 177 CO 0.10 0.36 -0.48 -3.20 -0.25 0.00 0.00 175.52 172.05 1h1n n ASN 178 N -4.18 0.97 -0.13 5.36 2.85 -1.24 -3.85 115.26 115.03 1h1n n ASN 178 Ca 0.01 -0.76 -0.28 0.00 -0.11 0.00 0.00 54.58 53.43 1h1n n ASN 178 Cb 0.35 0.35 -0.10 0.00 1.24 0.00 0.00 39.78 41.62 1h1n n ASN 178 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1h1n n VAL 179 N -1.00 1.53 -1.03 3.44 0.31 -1.00 -4.77 118.33 115.81 1h1n n VAL 179 Ca 0.08 -0.32 0.04 0.00 -0.01 0.00 0.00 64.34 64.14 1h1n n VAL 179 Cb 0.36 -1.92 0.29 0.00 -0.91 0.00 0.00 33.84 31.66 1h1n n VAL 179 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1h1n n ASN 180 N -4.29 4.30 -0.34 4.52 3.02 0.68 -4.61 115.26 118.55 1h1n n ASN 180 Ca -0.50 -3.12 0.10 0.00 -0.03 0.00 0.00 54.58 51.04 1h1n n ASN 180 Cb 0.84 -0.62 0.30 0.00 -0.61 0.00 0.00 39.78 39.70 1h1n n ASN 180 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1h1n h ASP 181 N 2.32 0.82 0.15 6.41 3.58 -1.67 -0.75 116.42 127.27 1h1n h ASP 181 Ca 0.07 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 1h1n h ASP 181 Cb 1.74 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.70 1h1n h ASP 181 CO 0.39 0.38 -0.00 -0.55 -2.88 0.00 0.00 179.24 176.58 1h1n h ASN 182 N 0.84 0.00 0.28 2.28 -1.07 -1.93 -2.28 115.58 113.70 1h1n h ASN 182 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.89 1h1n h ASN 182 Cb 0.70 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.95 1h1n h ASN 182 CO -0.29 0.00 0.00 0.24 0.07 0.00 0.00 177.43 177.45 1h1n h MET 183 N 0.00 0.00 0.00 4.14 2.86 -1.50 -2.06 114.93 118.37 1h1n h MET 183 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1h1n h MET 183 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1h1n h MET 183 CO 0.00 0.00 0.00 1.57 1.06 0.00 0.00 176.91 179.54 1h1n h LYS 184 N 0.00 0.00 -0.01 1.72 2.10 -1.60 -2.67 116.57 116.11 1h1n h LYS 184 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1h1n h LYS 184 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1h1n h LYS 184 CO 0.00 0.00 -0.01 -1.13 -2.00 0.00 0.00 179.45 176.31 1h1n n SER 185 N -3.04 0.90 -4.75 7.07 3.41 -0.77 -4.89 113.62 111.55 1h1n n SER 185 Ca -0.02 -1.28 -0.39 0.00 -0.26 0.00 0.00 58.87 56.92 1h1n n SER 185 Cb 0.12 -0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1h1n n SER 185 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1h1n n LEU 186 N -0.31 5.35 -4.26 1.04 4.77 -1.01 -5.01 117.00 117.57 1h1n n LEU 186 Ca 0.21 1.03 -0.23 0.00 -0.03 0.00 0.00 56.01 56.98 1h1n n LEU 186 Cb 0.26 -1.58 -0.13 0.00 -2.33 0.00 0.00 43.42 39.64 1h1n n LEU 186 CO 0.17 -0.45 -0.51 0.42 -1.33 0.00 0.00 177.39 175.70 1h1n s THR 187 N -1.25 1.60 -0.21 -5.08 -4.23 -1.26 -5.12 115.64 100.08 1h1n s THR 187 Ca 0.68 -1.44 -0.06 0.00 -1.18 0.00 0.00 61.69 59.69 1h1n s THR 187 Cb -0.43 -1.45 0.10 0.00 1.34 0.00 0.00 72.50 72.06 1h1n s THR 187 CO 0.52 -0.04 0.43 -0.62 -0.54 0.00 0.00 174.62 174.37 1h1n s ASP 188 N -1.74 -0.24 0.61 3.99 2.15 -1.26 -4.91 116.67 115.26 1h1n s ASP 188 Ca 0.05 0.87 0.39 0.00 0.43 0.00 0.00 52.55 54.29 1h1n s ASP 188 Cb -0.10 1.38 1.89 0.00 -0.30 0.00 0.00 42.92 45.79 1h1n s ASP 188 CO 0.03 -0.25 2.18 1.55 -0.17 0.00 0.00 175.17 178.52 1h1n h PRO 189 N 8.16 0.00 -0.00 4.34 0.13 -2.00 -0.26 132.00 142.37 1h1n h PRO 189 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1h1n h PRO 189 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1h1n h PRO 189 CO 0.15 0.00 -0.16 0.43 -0.23 0.00 0.00 178.00 178.19 1h1n n SER 190 N -3.09 0.22 -3.71 1.44 7.64 -1.26 -4.96 113.62 109.89 1h1n n SER 190 Ca -0.01 0.08 -0.22 0.00 1.01 0.00 0.00 58.87 59.72 1h1n n SER 190 Cb 0.19 -0.20 0.03 0.00 -1.01 0.00 0.00 64.21 63.22 1h1n n SER 190 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1h1n n ASP 191 N -1.40 -1.62 -1.94 6.43 2.03 -0.11 -4.92 116.55 115.02 1h1n n ASP 191 Ca 0.08 -0.81 -0.03 0.00 0.52 0.00 0.00 54.79 54.55 1h1n n ASP 191 Cb 0.32 -4.09 0.06 0.00 -0.72 0.00 0.00 41.12 36.70 1h1n n ASP 191 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1h1n n LYS 192 N -4.32 1.70 -2.65 -0.67 5.02 -1.26 -5.05 118.16 110.93 1h1n n LYS 192 Ca -0.26 -3.24 -0.42 0.00 -2.02 0.00 0.00 58.31 52.36 1h1n n LYS 192 Cb 0.66 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 34.29 1h1n n LYS 192 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1h1n s ILE 193 N -2.92 4.69 -0.11 -0.18 1.01 -1.26 -1.61 121.20 120.82 1h1n s ILE 193 Ca 0.36 1.95 0.02 0.00 0.00 0.00 0.00 60.65 62.98 1h1n s ILE 193 Cb 0.37 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 1h1n s ILE 193 CO -0.06 0.06 -0.17 -0.63 0.00 0.00 0.00 174.94 174.14 1h1n s ILE 194 N 1.69 2.72 -0.48 2.92 -1.09 -0.18 -4.61 121.20 122.18 1h1n s ILE 194 Ca 0.51 -0.79 -0.25 0.00 -2.23 0.00 0.00 60.65 57.89 1h1n s ILE 194 Cb -0.21 -2.10 0.03 0.00 -1.58 0.00 0.00 42.46 38.60 1h1n s ILE 194 CO 0.22 0.54 0.90 -0.31 -1.23 0.00 0.00 174.94 175.06 1h1n s TYR 195 N 0.20 2.91 -0.27 3.97 1.51 0.27 -1.23 117.35 124.71 1h1n s TYR 195 Ca -0.10 0.24 -0.19 0.00 -1.01 0.00 0.00 57.07 56.01 1h1n s TYR 195 Cb -0.16 -3.92 -0.02 0.00 -0.11 0.00 0.00 41.96 37.75 1h1n s TYR 195 CO 0.06 -1.13 0.55 -2.00 -1.11 0.00 0.00 175.55 171.91 1h1n s GLU 196 N 3.69 4.04 0.22 -0.62 2.12 0.01 -0.92 118.70 127.23 1h1n s GLU 196 Ca 0.34 0.34 0.10 0.00 0.36 0.00 0.00 54.97 56.10 1h1n s GLU 196 Cb -0.11 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 1h1n s GLU 196 CO 0.24 -0.40 -0.09 -1.64 -0.54 0.00 0.00 175.26 172.83 1h1n s MET 197 N 2.38 2.05 0.00 4.30 -1.94 -0.27 -4.40 119.30 121.42 1h1n s MET 197 Ca 0.22 -1.39 0.07 0.00 -1.71 0.00 0.00 55.69 52.88 1h1n s MET 197 Cb -0.16 -2.09 -0.03 0.00 2.01 0.00 0.00 34.83 34.57 1h1n s MET 197 CO 0.09 0.40 -0.20 -1.01 -0.01 0.00 0.00 175.02 174.29 1h1n s HIS 198 N -1.99 2.50 -0.17 -0.03 3.76 0.00 -0.65 115.29 118.71 1h1n s HIS 198 Ca 0.27 -0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 54.84 1h1n s HIS 198 Cb -0.08 -1.51 0.08 0.00 1.11 0.00 0.00 32.58 32.19 1h1n s HIS 198 CO 0.16 0.14 0.24 -1.14 -0.85 0.00 0.00 174.74 173.30 1h1n s GLN 199 N -0.99 0.17 0.32 1.40 2.00 -0.31 -1.11 119.66 121.15 1h1n s GLN 199 Ca 0.12 0.48 0.07 0.00 -2.00 0.00 0.00 55.36 54.03 1h1n s GLN 199 Cb -0.10 -0.61 -0.02 0.00 0.80 0.00 0.00 33.01 33.08 1h1n s GLN 199 CO 0.02 -0.48 0.36 0.71 -0.50 0.00 0.00 175.29 175.40 1h1n s TYR 200 N 2.38 3.03 -0.05 1.67 2.02 -1.26 -4.00 117.35 121.14 1h1n s TYR 200 Ca 0.05 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1h1n s TYR 200 Cb -0.14 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 1h1n s TYR 200 CO -0.10 0.15 0.35 1.28 -1.57 0.00 0.00 175.55 175.66 1h1n n LEU 201 N -1.46 0.71 -4.92 -1.29 4.77 -1.26 -4.66 117.00 108.89 1h1n n LEU 201 Ca -0.02 -0.84 -0.29 0.00 -0.03 0.00 0.00 56.01 54.84 1h1n n LEU 201 Cb 0.59 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.80 1h1n n LEU 201 CO 0.42 0.17 0.79 1.51 -1.33 0.00 0.00 177.39 178.96 1h1n s ASP 202 N -0.37 4.00 0.22 -1.43 -4.77 -1.26 -1.27 116.67 111.79 1h1n s ASP 202 Ca 0.00 0.48 -0.15 0.00 -3.30 0.00 0.00 52.55 49.59 1h1n s ASP 202 Cb 0.00 -0.81 0.25 0.00 -1.09 0.00 0.00 42.92 41.27 1h1n s ASP 202 CO 0.01 -2.19 1.60 -1.28 0.70 0.00 0.00 175.17 174.01 1h1n h SER 203 N -1.20 -0.82 -0.50 2.11 0.87 -1.94 -1.78 113.55 110.30 1h1n h SER 203 Ca -0.45 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1h1n h SER 203 Cb 1.29 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 63.74 1h1n h SER 203 CO 0.53 -0.26 0.00 -0.90 -0.53 0.00 0.00 176.83 175.67 1h1n n ASP 204 N -5.47 3.64 -0.95 6.23 5.75 -1.26 -4.94 116.55 119.55 1h1n n ASP 204 Ca 0.08 -2.00 -0.12 0.00 -0.01 0.00 0.00 54.79 52.74 1h1n n ASP 204 Cb 0.37 -0.32 -0.05 0.00 -1.03 0.00 0.00 41.12 40.08 1h1n n ASP 204 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h1n n GLY 205 N 1.56 1.30 0.09 6.12 0.00 -0.67 -4.88 105.19 108.72 1h1n n GLY 205 Ca 0.21 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1h1n n GLY 205 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h1n h SER 206 N 0.00 0.00 -4.91 1.61 4.64 -1.90 -3.39 113.55 109.60 1h1n h SER 206 Ca -0.25 -0.10 -0.34 0.00 -0.47 0.00 0.00 61.79 60.63 1h1n h SER 206 Cb 0.90 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.10 1h1n h SER 206 CO 0.37 0.05 -0.56 0.61 -0.87 0.00 0.00 176.83 176.43 1h1n n GLY 207 N 1.31 -0.31 0.00 -0.77 0.00 -1.26 -4.93 105.19 99.23 1h1n n GLY 207 Ca 0.04 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.19 1h1n n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h1n n THR 208 N -4.58 0.00 -4.32 2.61 -2.24 -1.26 -5.01 114.28 99.48 1h1n n THR 208 Ca -0.01 -0.28 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 1h1n n THR 208 Cb 0.56 0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 69.50 1h1n n THR 208 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1h1n s SER 209 N -2.06 5.16 0.17 3.42 0.15 -1.26 -5.02 113.70 114.27 1h1n s SER 209 Ca 0.01 0.04 0.24 0.00 0.70 0.00 0.00 55.95 56.95 1h1n s SER 209 Cb 0.05 -1.38 0.91 0.00 -1.71 0.00 0.00 66.02 63.89 1h1n s SER 209 CO 0.31 0.31 1.73 0.00 1.20 0.00 0.00 173.24 176.80 1h1n n ALA 210 N 1.64 1.96 -2.68 5.45 0.00 -1.26 -4.70 120.51 120.92 1h1n n ALA 210 Ca -0.16 0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1h1n n ALA 210 Cb 0.53 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1h1n n ALA 210 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1h1n s THR 211 N -3.16 4.84 0.11 0.00 2.01 -1.26 -2.62 115.64 115.55 1h1n s THR 211 Ca 0.08 1.81 -0.03 0.00 0.31 0.00 0.00 61.69 63.87 1h1n s THR 211 Cb 0.12 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1h1n s THR 211 CO 0.46 0.02 0.30 0.00 -0.69 0.00 0.00 174.62 174.71 1h1n h VAL 213 N 2.05 1.18 -2.58 0.00 2.07 -1.47 -3.47 116.25 114.02 1h1n h VAL 213 Ca -0.46 -0.37 0.13 0.00 0.82 0.00 0.00 66.70 66.83 1h1n h VAL 213 Cb 1.16 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1h1n h VAL 213 CO 0.74 0.18 0.41 -0.94 0.02 0.00 0.00 177.57 177.98 1h1n s SER 214 N -5.84 -0.16 0.00 0.57 1.04 -1.26 -5.03 113.70 103.02 1h1n s SER 214 Ca -0.13 -0.55 0.22 0.00 0.48 0.00 0.00 55.95 55.97 1h1n s SER 214 Cb 0.14 0.58 1.02 0.00 0.10 0.00 0.00 66.02 67.86 1h1n s SER 214 CO 0.77 -1.09 1.72 -1.20 0.98 0.00 0.00 173.24 174.41 1h1n n SER 215 N -0.63 0.00 -0.19 7.02 7.64 -1.26 -3.09 113.62 123.11 1h1n n SER 215 Ca -0.05 0.28 0.02 0.00 1.01 0.00 0.00 58.87 60.13 1h1n n SER 215 Cb 0.60 -0.41 0.04 0.00 -1.01 0.00 0.00 64.21 63.43 1h1n n SER 215 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1h1n n THR 216 N -1.41 0.81 0.18 0.44 -2.24 -1.26 -2.68 114.28 108.12 1h1n n THR 216 Ca 0.08 -0.90 0.03 0.00 -2.27 0.00 0.00 64.05 60.98 1h1n n THR 216 Cb 0.23 0.61 0.35 0.00 -2.10 0.00 0.00 70.33 69.42 1h1n n THR 216 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1h1n h ILE 217 N 0.64 1.16 0.32 2.28 6.09 -1.86 -1.77 117.51 124.37 1h1n h ILE 217 Ca 0.00 -1.43 -0.02 0.00 -1.37 0.00 0.00 64.86 62.05 1h1n h ILE 217 Cb 0.49 1.80 0.00 0.00 0.47 0.00 0.00 36.82 39.58 1h1n h ILE 217 CO 0.00 0.39 -0.15 1.23 -3.07 0.00 0.00 178.15 176.55 1h1n h GLY 218 N 1.43 -0.45 0.10 8.18 0.00 -1.85 -1.15 103.07 109.33 1h1n h GLY 218 Ca -0.00 0.17 0.10 0.00 0.00 0.00 0.00 47.33 47.59 1h1n h GLY 218 CO 0.05 -0.16 -0.06 -1.61 0.00 0.00 0.00 176.54 174.76 1h1n h GLN 219 N -0.78 0.06 -0.57 4.80 4.15 -1.77 -2.22 115.11 118.77 1h1n h GLN 219 Ca -0.04 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.44 1h1n h GLN 219 Cb 0.51 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 1h1n h GLN 219 CO 0.07 0.04 0.25 0.93 -1.93 0.00 0.00 178.83 178.19 1h1n h GLU 220 N 0.06 0.45 0.00 1.69 5.08 -1.24 -2.49 114.58 118.12 1h1n h GLU 220 Ca 0.25 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1h1n h GLU 220 Cb 0.38 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1h1n h GLU 220 CO -0.46 0.30 0.00 0.00 -1.00 0.00 0.00 179.01 177.85 1h1n h ARG 221 N 0.46 0.00 -0.02 2.33 3.08 -0.72 -3.10 114.38 116.42 1h1n h ARG 221 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1h1n h ARG 221 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1h1n h ARG 221 CO -0.24 0.00 -0.06 0.44 -1.07 0.00 0.00 179.97 179.04 1h1n n ILE 222 N -2.42 0.00 -0.04 2.04 -5.35 -0.88 -2.46 119.36 110.26 1h1n n ILE 222 Ca 0.04 -0.47 -0.11 0.00 -0.27 0.00 0.00 62.75 61.94 1h1n n ILE 222 Cb 0.35 1.29 -0.05 0.00 -1.74 0.00 0.00 39.64 39.49 1h1n n ILE 222 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1h1n h THR 223 N 2.72 1.15 -0.69 7.28 1.35 -1.37 -1.42 112.91 121.93 1h1n h THR 223 Ca 0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1h1n h THR 223 Cb 0.61 1.16 -0.03 0.00 -1.73 0.00 0.00 68.15 68.16 1h1n h THR 223 CO 0.00 0.14 0.44 -1.28 -0.25 0.00 0.00 175.52 174.57 1h1n h SER 224 N 0.10 0.80 -0.45 5.36 0.87 -1.83 -2.32 113.55 116.07 1h1n h SER 224 Ca 0.05 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 1h1n h SER 224 Cb 0.16 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1h1n h SER 224 CO -0.00 0.60 -0.03 0.00 -0.53 0.00 0.00 176.83 176.86 1h1n h ALA 225 N 1.24 0.98 -0.19 6.23 0.00 -1.73 -0.76 119.26 125.03 1h1n h ALA 225 Ca 0.25 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1h1n h ALA 225 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1h1n h ALA 225 CO -0.05 0.62 0.08 1.15 0.00 0.00 0.00 179.25 181.04 1h1n h THR 226 N 0.81 0.98 -0.86 0.00 2.02 -0.85 -0.66 112.91 114.35 1h1n h THR 226 Ca 0.15 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1h1n h THR 226 Cb 0.53 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1h1n h THR 226 CO 0.03 0.03 0.42 1.56 0.37 0.00 0.00 175.52 177.93 1h1n h GLN 227 N 0.18 1.23 -0.47 6.66 7.50 -1.00 -1.85 115.11 127.37 1h1n h GLN 227 Ca 0.08 -0.18 -0.01 0.00 0.50 0.00 0.00 58.65 59.04 1h1n h GLN 227 Cb 0.03 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.31 1h1n h GLN 227 CO -0.06 0.94 0.26 2.35 -1.50 0.00 0.00 178.83 180.81 1h1n h TRP 228 N 1.22 0.65 -0.66 2.96 7.01 -0.77 0.58 115.95 126.93 1h1n h TRP 228 Ca 0.30 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.28 1h1n h TRP 228 Cb 0.11 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.93 1h1n h TRP 228 CO 0.01 0.49 0.43 -0.07 -2.79 0.00 0.00 178.44 176.51 1h1n h LEU 229 N 0.62 0.77 -0.23 0.65 3.38 -0.91 -1.82 115.31 117.78 1h1n h LEU 229 Ca 0.17 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1h1n h LEU 229 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1h1n h LEU 229 CO -0.03 0.57 -0.01 -0.09 0.09 0.00 0.00 178.44 178.97 1h1n h ARG 230 N 0.90 0.41 -0.16 1.13 2.43 -1.05 0.24 114.38 118.29 1h1n h ARG 230 Ca 0.24 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1h1n h ARG 230 Cb -0.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1h1n h ARG 230 CO -0.05 0.61 0.06 0.00 -1.51 0.00 0.00 179.97 179.08 1h1n h ALA 231 N 0.79 1.81 -0.43 2.80 0.00 -0.72 -2.24 119.26 121.27 1h1n h ALA 231 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1h1n h ALA 231 Cb 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1h1n h ALA 231 CO 0.01 0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.51 1h1n n ASN 232 N -4.47 3.42 -2.54 0.00 3.02 -0.70 -4.97 115.26 109.03 1h1n n ASN 232 Ca -0.01 -1.98 -0.20 0.00 -0.03 0.00 0.00 54.58 52.37 1h1n n ASN 232 Cb 0.12 -0.28 0.02 0.00 -0.61 0.00 0.00 39.78 39.03 1h1n n ASN 232 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h1n n GLY 233 N 1.51 -0.40 3.88 7.41 0.00 -0.51 -5.00 105.19 112.08 1h1n n GLY 233 Ca 0.20 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1h1n n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h1n s LYS 234 N -5.38 2.65 0.02 1.61 -0.14 -0.04 -5.04 119.74 113.43 1h1n s LYS 234 Ca 0.19 -1.40 0.07 0.00 -1.36 0.00 0.00 55.97 53.47 1h1n s LYS 234 Cb -0.08 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 1h1n s LYS 234 CO 0.23 -0.09 -0.21 0.15 -0.76 0.00 0.00 175.35 174.68 1h1n s LYS 235 N -4.10 2.05 0.30 1.68 -0.14 -1.26 -4.55 119.74 113.72 1h1n s LYS 235 Ca 0.46 -0.98 0.07 0.00 -1.36 0.00 0.00 55.97 54.16 1h1n s LYS 235 Cb -0.05 -2.14 -0.06 0.00 -1.68 0.00 0.00 37.83 33.90 1h1n s LYS 235 CO 0.28 0.54 -0.05 0.20 -0.76 0.00 0.00 175.35 175.56 1h1n s GLY 236 N -1.20 1.96 0.00 -3.33 0.00 0.86 -0.56 107.32 105.04 1h1n s GLY 236 Ca 0.13 -1.98 -0.02 0.00 0.00 0.00 0.00 44.72 42.86 1h1n s GLY 236 CO 0.03 -1.89 0.03 -1.50 0.00 0.00 0.00 173.10 169.77 1h1n s ILE 237 N -2.95 0.06 -0.56 0.90 2.07 -0.10 -0.77 121.20 119.85 1h1n s ILE 237 Ca 0.31 -0.50 -0.21 0.00 -1.41 0.00 0.00 60.65 58.84 1h1n s ILE 237 Cb 0.04 -0.21 0.07 0.00 0.13 0.00 0.00 42.46 42.49 1h1n s ILE 237 CO 0.13 -0.28 0.77 -0.63 -1.91 0.00 0.00 174.94 173.03 1h1n s ILE 238 N -0.84 4.65 -0.66 2.00 -1.09 -0.72 -1.12 121.20 123.42 1h1n s ILE 238 Ca -0.09 -0.41 0.25 0.00 -2.23 0.00 0.00 60.65 58.17 1h1n s ILE 238 Cb -0.06 -4.46 0.21 0.00 -1.58 0.00 0.00 42.46 36.57 1h1n s ILE 238 CO -0.00 -1.07 1.60 1.23 -1.23 0.00 0.00 174.94 175.47 1h1n h GLY 239 N 10.35 0.00 -5.69 6.18 0.00 -1.14 0.12 103.07 112.90 1h1n h GLY 239 Ca -0.28 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.90 1h1n h GLY 239 CO 1.06 0.00 -0.39 -0.54 0.00 0.00 0.00 176.54 176.67 1h1n s GLU 240 N -3.14 0.31 0.11 4.80 2.02 -1.18 -4.57 118.70 117.06 1h1n s GLU 240 Ca 0.09 0.58 -0.19 0.00 0.02 0.00 0.00 54.97 55.47 1h1n s GLU 240 Cb 0.12 0.00 0.04 0.00 0.10 0.00 0.00 34.13 34.39 1h1n s GLU 240 CO 0.65 -0.12 0.46 -0.59 0.02 0.00 0.00 175.26 175.67 1h1n s PHE 241 N 0.96 -0.31 0.03 1.61 -0.71 -1.05 -1.16 117.98 117.35 1h1n s PHE 241 Ca -0.06 0.09 -0.28 0.00 -1.04 0.00 0.00 56.93 55.64 1h1n s PHE 241 Cb -0.07 0.33 0.09 0.00 -1.21 0.00 0.00 43.02 42.16 1h1n s PHE 241 CO -0.07 -0.71 0.93 0.00 -1.34 0.00 0.00 175.22 174.02 1h1n s ALA 242 N -3.49 -1.80 0.20 1.99 0.00 -1.26 -0.84 121.76 116.57 1h1n s ALA 242 Ca 0.01 0.79 -0.19 0.00 0.00 0.00 0.00 51.96 52.57 1h1n s ALA 242 Cb 0.01 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.62 1h1n s ALA 242 CO -0.10 -0.79 0.56 0.20 0.00 0.00 0.00 175.76 175.63 1h1n s GLY 243 N -2.61 -0.19 0.79 0.00 0.00 -1.26 -4.12 107.32 99.93 1h1n s GLY 243 Ca 0.07 -0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.59 1h1n s GLY 243 CO -0.06 -0.17 1.11 -0.32 0.00 0.00 0.00 173.10 173.66 1h1n s GLY 244 N -2.85 1.74 -1.29 0.20 0.00 -1.08 -4.84 107.32 99.20 1h1n s GLY 244 Ca 0.08 0.37 -0.17 0.00 0.00 0.00 0.00 44.72 45.00 1h1n s GLY 244 CO -0.04 0.74 1.71 0.00 0.00 0.00 0.00 173.10 175.51 1h1n n ALA 245 N -3.55 3.64 -3.28 3.20 0.00 -1.26 -4.32 120.51 114.94 1h1n n ALA 245 Ca 0.10 -3.90 -0.09 0.00 0.00 0.00 0.00 53.44 49.54 1h1n n ALA 245 Cb 0.53 -3.54 -0.04 0.00 0.00 0.00 0.00 19.45 16.40 1h1n n ALA 245 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1h1n s ASP 246 N 4.03 -0.23 0.10 0.00 1.47 -1.26 -5.06 116.67 115.72 1h1n s ASP 246 Ca 0.52 -0.52 -0.21 0.00 1.18 0.00 0.00 52.55 53.52 1h1n s ASP 246 Cb 0.03 0.57 -0.10 0.00 -0.34 0.00 0.00 42.92 43.09 1h1n s ASP 246 CO 0.07 -1.05 1.72 -1.13 0.68 0.00 0.00 175.17 175.46 1h1n h ASN 247 N 2.22 0.16 -0.50 2.11 -1.24 -1.99 -0.56 115.58 115.78 1h1n h ASN 247 Ca -0.29 -0.05 -0.05 0.00 0.71 0.00 0.00 56.30 56.62 1h1n h ASN 247 Cb 1.26 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 40.25 1h1n h ASN 247 CO 0.38 0.16 0.10 0.58 -1.29 0.00 0.00 177.43 177.36 1h1n h VAL 248 N 0.15 1.24 -0.53 2.57 2.07 -1.95 -1.20 116.25 118.61 1h1n h VAL 248 Ca 0.05 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 1h1n h VAL 248 Cb 0.03 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1h1n h VAL 248 CO -0.01 0.32 -0.01 0.00 0.02 0.00 0.00 177.57 177.88 1h1n h GLU 250 N 0.82 1.08 -0.46 0.00 5.08 -0.90 0.13 114.58 120.32 1h1n h GLU 250 Ca 0.15 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1h1n h GLU 250 Cb 0.55 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1h1n h GLU 250 CO 0.03 0.91 0.07 1.15 -1.00 0.00 0.00 179.01 180.17 1h1n h THR 251 N 1.02 1.25 -0.82 1.13 2.02 -1.05 -0.88 112.91 115.58 1h1n h THR 251 Ca 0.23 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1h1n h THR 251 Cb 0.26 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1h1n h THR 251 CO -0.01 0.32 0.42 0.00 0.37 0.00 0.00 175.52 176.62 1h1n h ALA 252 N 0.95 1.20 0.04 6.16 0.00 -0.54 0.13 119.26 127.20 1h1n h ALA 252 Ca 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h1n h ALA 252 Cb 0.40 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1h1n h ALA 252 CO 0.01 0.63 -0.02 0.82 0.00 0.00 0.00 179.25 180.69 1h1n h ILE 253 N 1.15 1.10 -0.45 0.00 2.04 -0.54 -0.08 117.51 120.73 1h1n h ILE 253 Ca 0.29 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1h1n h ILE 253 Cb 0.07 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1h1n h ILE 253 CO -0.04 0.12 0.22 0.74 0.00 0.00 0.00 178.15 179.19 1h1n h THR 254 N -0.26 0.96 -0.82 -0.27 2.02 -1.01 -0.56 112.91 112.97 1h1n h THR 254 Ca -0.01 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.03 1h1n h THR 254 Cb 0.24 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1h1n h THR 254 CO 0.01 0.08 0.54 1.23 0.37 0.00 0.00 175.52 177.75 1h1n h GLY 255 N 0.45 1.16 0.87 2.16 0.00 -0.59 0.13 103.07 107.24 1h1n h GLY 255 Ca 0.20 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 1h1n h GLY 255 CO -0.14 0.41 -0.06 1.98 0.00 0.00 0.00 176.54 178.72 1h1n h MET 256 N 1.09 0.52 -0.37 4.80 -1.53 -0.52 -0.91 114.93 118.02 1h1n h MET 256 Ca 0.30 -0.20 -0.12 0.00 -3.44 0.00 0.00 59.70 56.25 1h1n h MET 256 Cb -0.11 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 30.90 1h1n h MET 256 CO -0.07 0.73 -0.25 -0.07 0.14 0.00 0.00 176.91 177.39 1h1n h LEU 257 N 0.27 0.76 -0.71 3.39 3.38 -0.94 0.48 115.31 121.94 1h1n h LEU 257 Ca 0.07 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1h1n h LEU 257 Cb 0.54 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1h1n h LEU 257 CO 0.03 0.97 0.06 0.44 0.09 0.00 0.00 178.44 180.03 1h1n h ASP 258 N 0.64 1.01 -0.36 -0.43 3.32 -0.69 -0.28 116.42 119.63 1h1n h ASP 258 Ca 0.09 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1h1n h ASP 258 Cb 0.76 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1h1n h ASP 258 CO 0.06 1.03 0.21 0.22 -1.72 0.00 0.00 179.24 179.04 1h1n h TYR 259 N 0.97 0.49 -0.76 4.55 3.20 -0.80 -2.57 116.97 122.05 1h1n h TYR 259 Ca 0.19 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1h1n h TYR 259 Cb 0.48 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 1h1n h TYR 259 CO 0.03 0.37 0.50 0.52 -1.64 0.00 0.00 178.16 177.95 1h1n h MET 260 N 0.46 0.97 0.00 1.82 2.86 -0.45 -2.04 114.93 118.56 1h1n h MET 260 Ca 0.13 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1h1n h MET 260 Cb 0.04 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 1h1n h MET 260 CO -0.02 0.64 -0.01 0.00 1.06 0.00 0.00 176.91 178.58 1h1n h ALA 261 N 1.54 1.01 -0.01 6.32 0.00 -0.67 0.19 119.26 127.64 1h1n h ALA 261 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1h1n h ALA 261 Cb -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1h1n h ALA 261 CO -0.07 0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.10 1h1n n GLN 262 N -3.12 0.89 -2.71 0.00 10.64 -0.77 -4.28 117.38 118.02 1h1n n GLN 262 Ca -0.00 -0.34 -0.05 0.00 -1.83 0.00 0.00 57.00 54.77 1h1n n GLN 262 Cb 0.26 -1.49 0.04 0.00 -0.86 0.00 0.00 30.24 28.19 1h1n n GLN 262 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1h1n n ASN 263 N -0.76 1.94 0.00 2.61 3.02 0.04 -4.85 115.26 117.26 1h1n n ASN 263 Ca 0.16 -2.41 0.13 0.00 -0.03 0.00 0.00 54.58 52.43 1h1n n ASN 263 Cb 0.28 -0.48 0.66 0.00 -0.61 0.00 0.00 39.78 39.62 1h1n n ASN 263 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1h1n n THR 264 N -0.46 0.15 0.25 3.41 -2.24 -1.14 -1.41 114.28 112.83 1h1n n THR 264 Ca 0.12 0.04 0.09 0.00 -2.27 0.00 0.00 64.05 62.02 1h1n n THR 264 Cb 0.81 -0.59 0.63 0.00 -2.10 0.00 0.00 70.33 69.08 1h1n n THR 264 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1h1n h ASP 265 N 0.00 0.00 0.00 3.42 2.03 -1.90 -3.32 116.42 116.65 1h1n h ASP 265 Ca 0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 1h1n h ASP 265 Cb 0.28 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.75 1h1n h ASP 265 CO 0.00 0.13 -1.47 1.33 -1.03 0.00 0.00 179.24 178.20 1h1n n VAL 266 N -4.08 0.47 -3.34 4.15 0.24 -0.83 -4.90 118.33 110.04 1h1n n VAL 266 Ca -0.02 -0.28 -0.40 0.00 -2.04 0.00 0.00 64.34 61.60 1h1n n VAL 266 Cb 0.21 -0.82 -0.09 0.00 -1.47 0.00 0.00 33.84 31.67 1h1n n VAL 266 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1h1n s TRP 267 N -2.17 3.24 -0.95 6.34 0.52 -0.50 -0.10 118.94 125.32 1h1n s TRP 267 Ca -0.04 0.37 0.27 0.00 0.02 0.00 0.00 56.10 56.71 1h1n s TRP 267 Cb 0.02 -2.66 0.81 0.00 -1.15 0.00 0.00 33.47 30.48 1h1n s TRP 267 CO 0.27 -0.31 1.64 0.25 0.02 0.00 0.00 176.95 178.82 1h1n n THR 268 N 5.18 0.07 -0.25 2.01 -2.24 0.05 -4.49 114.28 114.61 1h1n n THR 268 Ca -0.07 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1h1n n THR 268 Cb 0.50 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1h1n n THR 268 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h1n n GLY 269 N 1.47 0.76 3.40 3.38 0.00 -1.25 -0.96 105.19 111.98 1h1n n GLY 269 Ca 0.06 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 1h1n n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h1n s ALA 270 N -1.00 -1.33 -0.13 4.61 0.00 -0.97 -1.76 121.76 121.18 1h1n s ALA 270 Ca 0.00 0.90 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 1h1n s ALA 270 Cb 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.15 1h1n s ALA 270 CO 0.00 -0.32 0.01 0.42 0.00 0.00 0.00 175.76 175.88 1h1n s ILE 271 N -1.18 0.44 0.45 0.00 1.01 0.42 -1.72 121.20 120.62 1h1n s ILE 271 Ca -0.12 -0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.13 1h1n s ILE 271 Cb -0.02 -0.75 -0.07 0.00 0.01 0.00 0.00 42.46 41.62 1h1n s ILE 271 CO 0.07 0.06 1.19 0.86 0.00 0.00 0.00 174.94 177.12 1h1n s TRP 272 N 1.92 2.85 -0.33 3.97 -0.11 -0.33 -2.52 118.94 124.38 1h1n s TRP 272 Ca 0.03 1.51 -0.07 0.00 1.22 0.00 0.00 56.10 58.79 1h1n s TRP 272 Cb -0.14 -3.44 0.03 0.00 -1.50 0.00 0.00 33.47 28.42 1h1n s TRP 272 CO -0.07 -1.65 0.11 -0.46 -4.62 0.00 0.00 176.95 170.27 1h1n s TRP 273 N -1.48 3.23 0.02 5.86 -0.11 -0.02 -0.52 118.94 125.92 1h1n s TRP 273 Ca 0.63 -1.29 -0.28 0.00 1.22 0.00 0.00 56.10 56.38 1h1n s TRP 273 Cb -0.31 -2.29 0.07 0.00 -1.50 0.00 0.00 33.47 29.45 1h1n s TRP 273 CO 0.37 -0.69 0.68 0.00 -4.62 0.00 0.00 176.95 172.69 1h1n s ALA 274 N 1.44 -1.72 0.61 5.86 0.00 -1.14 -4.62 121.76 122.19 1h1n s ALA 274 Ca -0.00 1.04 0.05 0.00 0.00 0.00 0.00 51.96 53.04 1h1n s ALA 274 Cb -0.19 0.29 0.11 0.00 0.00 0.00 0.00 23.12 23.32 1h1n s ALA 274 CO 0.03 -0.52 0.80 0.00 0.00 0.00 0.00 175.76 176.08 1h1n n ALA 275 N 0.41 0.70 0.00 0.00 0.00 0.45 -1.16 120.51 120.91 1h1n n ALA 275 Ca -0.17 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.43 1h1n n ALA 275 Cb 0.60 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.47 1h1n n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h1n n GLY 276 N -1.63 3.71 0.06 0.00 0.00 -1.26 -0.86 105.19 105.21 1h1n n GLY 276 Ca 0.15 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.55 1h1n n GLY 276 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h1n n PRO 277 N -1.57 0.28 -0.92 1.61 -0.04 -1.26 -4.10 135.00 129.00 1h1n n PRO 277 Ca 0.00 -0.12 -0.03 0.00 -0.04 0.00 0.00 63.50 63.31 1h1n n PRO 277 Cb 0.00 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.14 1h1n n PRO 277 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1h1n n TRP 278 N -1.25 0.86 -0.02 0.54 7.02 -1.26 -4.65 117.44 118.67 1h1n n TRP 278 Ca 0.09 -1.69 0.05 0.00 -1.02 0.00 0.00 57.50 54.93 1h1n n TRP 278 Cb 0.32 -0.37 -0.15 0.00 -2.42 0.00 0.00 31.31 28.70 1h1n n TRP 278 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1h1n n TRP 279 N -1.05 0.15 -1.15 -5.99 7.02 -1.26 -5.04 117.44 110.12 1h1n n TRP 279 Ca 0.29 0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.81 1h1n n TRP 279 Cb 0.84 -0.70 0.00 0.00 -2.42 0.00 0.00 31.31 29.03 1h1n n TRP 279 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1h1n n GLY 280 N 1.38 3.25 0.64 6.99 0.00 -1.26 -1.40 105.19 114.79 1h1n n GLY 280 Ca -0.11 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.77 1h1n n GLY 280 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h1n n ASP 281 N 3.29 1.58 -4.51 1.61 8.00 -1.26 -4.80 116.55 120.47 1h1n n ASP 281 Ca 0.00 -2.13 -0.51 0.00 0.71 0.00 0.00 54.79 52.87 1h1n n ASP 281 Cb 0.00 -0.45 -0.04 0.00 -0.02 0.00 0.00 41.12 40.61 1h1n n ASP 281 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h1n n TYR 282 N 0.06 0.61 0.26 1.24 9.36 -0.49 -4.83 117.16 123.37 1h1n n TYR 282 Ca 0.05 0.85 0.17 0.00 3.32 0.00 0.00 57.90 62.29 1h1n n TYR 282 Cb 0.35 -2.14 0.89 0.00 -0.63 0.00 0.00 39.34 37.81 1h1n n TYR 282 CO 0.00 0.00 0.00 -0.84 0.22 0.00 0.00 176.86 176.24 1h1n h ILE 283 N 2.19 0.45 -0.18 2.97 3.07 -1.92 -2.45 117.51 121.63 1h1n h ILE 283 Ca -0.40 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.01 1h1n h ILE 283 Cb 1.39 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.85 1h1n h ILE 283 CO 0.64 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.23 1h1n n PHE 284 N -3.74 0.46 -2.12 0.16 3.72 -1.26 -4.47 117.46 110.19 1h1n n PHE 284 Ca -0.01 -0.74 -0.42 0.00 -0.05 0.00 0.00 57.45 56.23 1h1n n PHE 284 Cb 0.21 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 1h1n n PHE 284 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1h1n s SER 285 N -1.72 6.75 -0.02 4.37 0.15 -0.92 -2.86 113.70 119.45 1h1n s SER 285 Ca 0.28 2.10 0.20 0.00 0.70 0.00 0.00 55.95 59.23 1h1n s SER 285 Cb 0.21 -2.54 0.61 0.00 -1.71 0.00 0.00 66.02 62.60 1h1n s SER 285 CO 0.08 -0.86 1.51 0.80 1.20 0.00 0.00 173.24 175.97 1h1n n MET 286 N 6.75 2.76 -2.43 5.44 1.56 -0.31 -0.42 117.12 130.47 1h1n n MET 286 Ca 0.16 -2.49 -0.43 0.00 -0.27 0.00 0.00 57.70 54.67 1h1n n MET 286 Cb 0.43 -1.59 -0.02 0.00 2.15 0.00 0.00 33.22 34.19 1h1n n MET 286 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 1h1n s GLU 287 N -1.23 4.19 0.71 2.12 2.56 -1.26 -4.50 118.70 121.29 1h1n s GLU 287 Ca 0.46 1.60 -0.16 0.00 0.00 0.00 0.00 54.97 56.87 1h1n s GLU 287 Cb 0.25 -3.78 0.03 0.00 2.00 0.00 0.00 34.13 32.63 1h1n s GLU 287 CO 0.29 -0.76 1.25 -2.14 -0.56 0.00 0.00 175.26 173.34 1h1n s PRO 288 N 3.59 2.19 0.00 4.30 0.02 -1.26 -1.09 135.00 142.75 1h1n s PRO 288 Ca 0.55 1.92 0.23 0.00 0.02 0.00 0.00 61.00 63.71 1h1n s PRO 288 Cb -0.21 -1.82 0.06 0.00 0.02 0.00 0.00 34.50 32.55 1h1n s PRO 288 CO 0.16 -1.84 1.13 -0.25 -0.33 0.00 0.00 177.00 175.87 1h1n n ASP 289 N -2.48 1.73 -0.01 2.53 8.00 -1.26 -4.76 116.55 120.29 1h1n n ASP 289 Ca 0.15 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1h1n n ASP 289 Cb 0.49 0.51 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 1h1n n ASP 289 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1h1n n ASN 290 N -0.35 1.67 -4.77 -2.24 3.02 -1.21 -4.79 115.26 106.60 1h1n n ASN 290 Ca 0.09 -1.66 -0.39 0.00 -0.03 0.00 0.00 54.58 52.59 1h1n n ASN 290 Cb 0.43 -0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1h1n n ASN 290 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1h1n s GLY 291 N -0.66 2.90 0.25 7.41 0.00 -0.25 -4.88 107.32 112.09 1h1n s GLY 291 Ca 0.00 1.18 -0.06 0.00 0.00 0.00 0.00 44.72 45.84 1h1n s GLY 291 CO 0.00 1.73 1.89 1.19 0.00 0.00 0.00 173.10 177.91 1h1n h ILE 292 N 2.30 1.25 -0.04 0.90 2.10 -1.75 0.20 117.51 122.47 1h1n h ILE 292 Ca -0.50 -0.58 -0.16 0.00 1.08 0.00 0.00 64.86 64.71 1h1n h ILE 292 Cb 1.25 0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.97 1h1n h ILE 292 CO 0.62 0.27 -0.67 0.00 -1.08 0.00 0.00 178.15 177.29 1h1n h ALA 293 N 1.33 0.79 -0.93 0.18 0.00 -1.00 0.76 119.26 120.38 1h1n h ALA 293 Ca 0.32 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1h1n h ALA 293 Cb -0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1h1n h ALA 293 CO -0.06 0.78 0.61 -0.92 0.00 0.00 0.00 179.25 179.66 1h1n h TYR 294 N 0.14 1.10 0.18 0.00 3.20 -0.50 0.16 116.97 121.25 1h1n h TYR 294 Ca -0.01 0.03 -0.33 0.00 3.14 0.00 0.00 58.73 61.56 1h1n h TYR 294 Cb 1.20 -0.36 0.01 0.00 1.54 0.00 0.00 36.73 39.12 1h1n h TYR 294 CO 0.02 0.59 -1.60 1.96 -1.64 0.00 0.00 178.16 177.49 1h1n h GLN 295 N 1.09 0.38 0.00 1.82 4.20 -0.81 -3.33 115.11 118.46 1h1n h GLN 295 Ca 0.40 -0.65 -0.12 0.00 0.06 0.00 0.00 58.65 58.33 1h1n h GLN 295 Cb 0.16 0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1h1n h GLN 295 CO -0.15 1.31 -1.83 1.04 -0.67 0.00 0.00 178.83 178.54 1h1n n GLN 296 N -3.71 1.00 -0.05 1.46 6.02 0.24 -4.56 117.38 117.78 1h1n n GLN 296 Ca -0.23 -0.08 -0.20 0.00 -0.01 0.00 0.00 57.00 56.48 1h1n n GLN 296 Cb 1.03 -1.37 -0.13 0.00 1.02 0.00 0.00 30.24 30.79 1h1n n GLN 296 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1h1n n ILE 297 N -2.26 1.67 -0.31 5.09 2.08 0.37 -4.40 119.36 121.60 1h1n n ILE 297 Ca -0.12 -0.62 0.13 0.00 0.56 0.00 0.00 62.75 62.70 1h1n n ILE 297 Cb 0.66 -1.62 0.36 0.00 -0.75 0.00 0.00 39.64 38.28 1h1n n ILE 297 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 1h1n h LEU 298 N 0.02 0.71 -2.44 1.39 5.85 -1.14 0.23 115.31 119.94 1h1n h LEU 298 Ca -0.48 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.31 1h1n h LEU 298 Cb 1.97 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.93 1h1n h LEU 298 CO 0.01 0.31 0.07 -0.65 -0.34 0.00 0.00 178.44 177.84 1h1n h PRO 299 N 0.72 0.00 -0.01 5.25 0.11 -1.80 0.21 132.00 136.48 1h1n h PRO 299 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1h1n h PRO 299 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1h1n h PRO 299 CO -0.28 0.00 -0.22 0.44 -0.21 0.00 0.00 178.00 177.73 1h1n n ILE 300 N -3.74 0.00 -0.07 4.15 -5.35 0.79 -4.02 119.36 111.12 1h1n n ILE 300 Ca -0.02 -0.20 -0.08 0.00 -0.27 0.00 0.00 62.75 62.18 1h1n n ILE 300 Cb 0.16 0.65 -0.15 0.00 -1.74 0.00 0.00 39.64 38.55 1h1n n ILE 300 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1h1n n LEU 301 N -0.22 0.24 -0.34 7.28 4.77 -0.05 -4.45 117.00 124.24 1h1n n LEU 301 Ca 0.13 0.11 0.23 0.00 -0.03 0.00 0.00 56.01 56.45 1h1n n LEU 301 Cb 0.39 0.38 0.48 0.00 -2.33 0.00 0.00 43.42 42.34 1h1n n LEU 301 CO 0.24 0.43 1.20 0.71 -1.33 0.00 0.00 177.39 178.64 1h1n h THR 302 N 0.00 0.48 0.00 -5.08 1.35 -1.40 0.17 112.91 108.43 1h1n h THR 302 Ca -0.44 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1h1n h THR 302 Cb 2.11 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1h1n h THR 302 CO 0.04 0.08 0.08 -0.65 -0.25 0.00 0.00 175.52 174.82 1h1n h PRO 303 N 0.42 0.00 -0.00 4.72 0.11 -1.78 -1.26 132.00 134.20 1h1n h PRO 303 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 1h1n h PRO 303 Cb 1.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.64 1h1n h PRO 303 CO -0.37 0.00 -0.68 0.66 -0.21 0.00 0.00 178.00 177.40 1h1n n TYR 304 N -2.57 0.00 0.98 0.65 4.01 0.58 -4.85 117.16 115.96 1h1n n TYR 304 Ca -0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.84 1h1n n TYR 304 Cb 0.13 -0.13 0.10 0.00 -0.31 0.00 0.00 39.34 39.12 1h1n n TYR 304 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68