#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1n h VAL 3 N 0.00 0.83 -2.16 0.58 2.07 -1.81 -3.48 116.25 112.27 1h1n h VAL 3 Ca 0.00 -2.44 -0.54 0.00 0.82 0.00 0.00 66.70 64.53 1h1n h VAL 3 Cb 0.00 2.67 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 1h1n h VAL 3 CO 0.00 0.87 -0.60 -0.36 0.02 0.00 0.00 177.57 177.50 1h1n s PHE 4 N -2.57 2.80 0.19 1.57 0.08 -1.26 -5.02 117.98 113.77 1h1n s PHE 4 Ca -0.18 -0.21 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 1h1n s PHE 4 Cb 0.06 -1.30 0.11 0.00 -0.57 0.00 0.00 43.02 41.32 1h1n s PHE 4 CO 0.82 0.56 1.85 0.37 -0.10 0.00 0.00 175.22 178.72 1h1n h GLN 5 N 1.74 0.81 -4.34 0.44 4.15 -1.73 -3.44 115.11 112.75 1h1n h GLN 5 Ca -0.45 -0.05 -0.37 0.00 0.77 0.00 0.00 58.65 58.55 1h1n h GLN 5 Cb 1.25 -0.18 -0.30 0.00 0.21 0.00 0.00 27.48 28.45 1h1n h GLN 5 CO 0.61 0.53 -0.77 -1.58 -1.93 0.00 0.00 178.83 175.69 1h1n s TRP 6 N -6.14 0.66 -0.16 3.99 0.51 -0.43 -5.02 118.94 112.36 1h1n s TRP 6 Ca -0.13 -0.14 -0.07 0.00 -2.12 0.00 0.00 56.10 53.64 1h1n s TRP 6 Cb 0.14 -0.49 0.07 0.00 -0.81 0.00 0.00 33.47 32.38 1h1n s TRP 6 CO 0.76 -0.07 0.34 0.12 -0.51 0.00 0.00 176.95 177.59 1h1n s PHE 7 N 0.20 -0.56 0.00 -1.98 5.36 -1.26 -2.26 117.98 117.48 1h1n s PHE 7 Ca -0.02 1.19 0.00 0.00 -0.96 0.00 0.00 56.93 57.13 1h1n s PHE 7 Cb -0.07 0.15 0.00 0.00 -0.34 0.00 0.00 43.02 42.76 1h1n s PHE 7 CO -0.00 -0.37 0.00 0.41 -1.46 0.00 0.00 175.22 173.80 1h1n n GLY 8 N 4.92 2.23 3.15 13.12 0.00 -0.66 -1.35 105.19 126.59 1h1n n GLY 8 Ca -0.14 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.06 0.48 1.61 0.15 -0.85 -1.10 113.70 115.93 1h1n s SER 9 Ca 0.00 -0.07 -0.22 0.00 0.70 0.00 0.00 55.95 56.36 1h1n s SER 9 Cb 0.00 0.26 -0.07 0.00 -1.71 0.00 0.00 66.02 64.50 1h1n s SER 9 CO 0.00 -0.37 1.17 0.20 1.20 0.00 0.00 173.24 175.43 1h1n s ASN 10 N -1.26 6.05 -0.53 5.45 0.01 0.34 -1.80 114.94 123.20 1h1n s ASN 10 Ca -0.13 2.30 0.04 0.00 -0.71 0.00 0.00 52.86 54.35 1h1n s ASN 10 Cb -0.06 -2.60 0.15 0.00 0.41 0.00 0.00 41.25 39.14 1h1n s ASN 10 CO 0.02 -1.00 0.33 -1.61 -1.51 0.00 0.00 177.10 173.33 1h1n s GLU 11 N -2.81 1.77 0.22 -0.60 0.41 0.61 -0.22 118.70 118.08 1h1n s GLU 11 Ca 0.66 -2.57 -0.10 0.00 -0.41 0.00 0.00 54.97 52.55 1h1n s GLU 11 Cb -0.28 -2.81 -0.07 0.00 -1.78 0.00 0.00 34.13 29.19 1h1n s GLU 11 CO 0.34 -1.21 0.54 -1.12 -0.49 0.00 0.00 175.26 173.32 1h1n s SER 12 N -0.38 6.64 0.00 -0.19 0.01 -0.02 -4.09 113.70 115.68 1h1n s SER 12 Ca 0.21 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.40 1h1n s SER 12 Cb -0.16 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1h1n s SER 12 CO -0.07 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1h1n n GLY 13 N -0.02 2.17 0.08 3.44 0.00 -1.26 -4.06 105.19 105.53 1h1n n GLY 13 Ca -0.00 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 2.05 0.07 4.61 0.00 -0.53 -1.90 120.51 124.81 1h1n n ALA 14 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1h1n n ALA 14 Cb 0.00 -1.42 0.22 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.05 2.47 -1.12 0.00 0.00 -1.26 -4.32 120.64 114.37 1h1n n GLU 15 Ca 0.05 -2.26 -0.30 0.00 0.00 0.00 0.00 57.16 54.64 1h1n n GLU 15 Cb 0.33 -1.47 0.13 0.00 0.00 0.00 0.00 31.44 30.43 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 -1.24 2.28 -1.38 -1.84 0.40 -0.93 -4.01 117.98 111.26 1h1n s PHE 16 Ca 0.37 1.49 -0.05 0.00 -0.60 0.00 0.00 56.93 58.14 1h1n s PHE 16 Cb 0.21 -3.13 0.03 0.00 0.51 0.00 0.00 43.02 40.63 1h1n s PHE 16 CO 0.28 -2.24 0.82 0.41 0.70 0.00 0.00 175.22 175.19 1h1n n GLY 17 N -0.86 -0.37 0.08 4.36 0.00 -1.17 -4.44 105.19 102.79 1h1n n GLY 17 Ca 0.09 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.99 0.38 0.11 1.61 3.41 -1.26 -0.43 113.62 114.47 1h1n n SER 18 Ca -0.18 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.17 1h1n n SER 18 Cb 0.62 -0.69 0.45 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.94 0.22 -3.76 4.33 0.00 -1.26 -4.56 117.38 110.40 1h1n n GLN 19 Ca 0.02 0.32 -0.37 0.00 0.00 0.00 0.00 57.00 56.97 1h1n n GLN 19 Cb 0.16 -1.83 -0.12 0.00 0.00 0.00 0.00 30.24 28.45 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 -4.33 5.27 -0.14 2.61 0.01 0.43 -5.04 114.94 113.75 1h1n s ASN 20 Ca 0.07 -1.66 0.02 0.00 -0.71 0.00 0.00 52.86 50.59 1h1n s ASN 20 Cb 0.11 -1.84 0.01 0.00 0.41 0.00 0.00 41.25 39.94 1h1n s ASN 20 CO 0.48 -0.46 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.66 1h1n s LEU 21 N 1.26 2.00 0.44 0.60 1.43 -1.26 -2.10 118.68 121.05 1h1n s LEU 21 Ca 0.03 -0.56 0.30 0.00 -1.03 0.00 0.00 54.13 52.86 1h1n s LEU 21 Cb -0.22 -1.36 1.20 0.00 0.03 0.00 0.00 46.19 45.84 1h1n s LEU 21 CO -0.01 0.05 1.88 1.55 0.23 0.00 0.00 176.35 180.04 1h1n h PRO 22 N 7.45 0.00 -1.52 1.29 0.13 -1.97 -3.52 132.00 133.86 1h1n h PRO 22 Ca -0.34 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.96 1h1n h PRO 22 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 1h1n h PRO 22 CO 0.55 0.00 -0.39 0.41 -0.23 0.00 0.00 178.00 178.33 1h1n n GLY 23 N 0.08 -2.19 3.08 1.56 0.00 -0.89 -4.90 105.19 101.93 1h1n n GLY 23 Ca 0.01 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.47 1.72 0.38 1.61 1.01 -1.26 -5.00 120.40 116.39 1h1n s VAL 24 Ca 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 1h1n s VAL 24 Cb 0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 36.38 34.71 1h1n s VAL 24 CO 0.00 0.48 1.42 1.21 0.00 0.00 0.00 175.10 178.21 1h1n n GLU 25 N 4.34 2.43 -0.21 2.72 0.00 -1.26 -0.39 120.64 128.27 1h1n n GLU 25 Ca -0.19 0.86 0.00 0.00 0.00 0.00 0.00 57.16 57.83 1h1n n GLU 25 Cb 0.51 -2.56 0.00 0.00 0.00 0.00 0.00 31.44 29.39 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 0.57 2.30 0.98 8.31 0.00 0.12 -4.75 105.19 112.72 1h1n n GLY 26 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1h1n n GLY 26 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1h1n n LYS 27 N -2.00 0.04 0.00 1.61 0.00 -0.53 -4.87 118.16 112.41 1h1n n LYS 27 Ca 0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 58.31 58.28 1h1n n LYS 27 Cb 0.00 -0.57 -0.11 0.00 -0.00 0.00 0.00 35.03 34.35 1h1n n LYS 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1h1n n ASP 28 N -3.48 0.82 -3.92 -5.58 8.00 0.48 -5.01 116.55 107.86 1h1n n ASP 28 Ca -0.02 0.37 -0.09 0.00 0.71 0.00 0.00 54.79 55.77 1h1n n ASP 28 Cb 0.13 0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 41.29 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 -2.77 0.26 -0.01 1.24 -0.85 -1.23 -3.02 117.35 110.97 1h1n s TYR 29 Ca -0.04 -0.61 -0.18 0.00 -0.52 0.00 0.00 57.07 55.71 1h1n s TYR 29 Cb 0.08 0.16 0.03 0.00 0.38 0.00 0.00 41.96 42.62 1h1n s TYR 29 CO 0.82 -0.89 0.40 -1.50 -1.52 0.00 0.00 175.55 172.85 1h1n s ILE 30 N -3.97 0.05 0.40 -3.49 2.07 -0.80 0.11 121.20 115.57 1h1n s ILE 30 Ca 0.18 -0.40 -0.03 0.00 -1.41 0.00 0.00 60.65 58.99 1h1n s ILE 30 Cb 0.00 -0.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.79 1h1n s ILE 30 CO 0.04 -0.22 0.66 0.26 -1.91 0.00 0.00 174.94 173.77 1h1n s TRP 31 N -1.58 3.52 0.78 3.50 0.52 -1.26 -1.45 118.94 122.97 1h1n s TRP 31 Ca -0.11 0.63 -0.14 0.00 0.02 0.00 0.00 56.10 56.50 1h1n s TRP 31 Cb -0.03 -2.13 0.06 0.00 -1.15 0.00 0.00 33.47 30.22 1h1n s TRP 31 CO 0.04 -0.06 1.19 -2.30 0.02 0.00 0.00 176.95 175.84 1h1n n PRO 32 N -1.84 0.37 -3.18 4.98 -0.02 -1.26 -4.80 135.00 129.25 1h1n n PRO 32 Ca -0.02 0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 1h1n n PRO 32 Cb 0.55 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.95 6.39 0.53 2.55 -1.08 -1.26 -4.95 116.67 116.90 1h1n s ASP 33 Ca 0.75 0.15 0.21 0.00 -0.52 0.00 0.00 52.55 53.14 1h1n s ASP 33 Cb -0.31 -2.30 1.35 0.00 -1.46 0.00 0.00 42.92 40.20 1h1n s ASP 33 CO 0.49 -0.50 2.09 -0.65 0.52 0.00 0.00 175.17 177.12 1h1n h PRO 34 N 8.38 0.00 -0.52 4.34 0.11 -1.98 -1.84 132.00 140.49 1h1n h PRO 34 Ca -0.27 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 1h1n h PRO 34 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1h1n h PRO 34 CO 0.79 0.00 0.03 -0.91 -0.21 0.00 0.00 178.00 177.71 1h1n h ASN 35 N 0.00 0.86 0.81 -2.05 2.35 -1.99 0.14 115.58 115.70 1h1n h ASN 35 Ca 0.10 -0.29 -0.21 0.00 -0.55 0.00 0.00 56.30 55.35 1h1n h ASN 35 Cb 0.42 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1h1n h ASN 35 CO -0.00 0.94 -0.99 0.71 -1.65 0.00 0.00 177.43 176.44 1h1n h THR 36 N 0.76 1.61 -0.60 2.81 1.35 -1.82 -2.34 112.91 114.67 1h1n h THR 36 Ca 0.15 -3.08 0.09 0.00 -0.55 0.00 0.00 66.41 63.02 1h1n h THR 36 Cb 0.47 2.73 -0.07 0.00 -1.73 0.00 0.00 68.15 69.56 1h1n h THR 36 CO 0.02 0.89 0.23 0.40 -0.25 0.00 0.00 175.52 176.81 1h1n h ILE 37 N 0.04 0.79 -0.58 6.82 2.04 -1.21 -1.34 117.51 124.06 1h1n h ILE 37 Ca -0.04 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1h1n h ILE 37 Cb 1.70 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1h1n h ILE 37 CO 0.14 0.08 0.37 0.44 0.00 0.00 0.00 178.15 179.18 1h1n h ASP 38 N 0.42 0.67 -0.57 1.72 3.32 -0.22 -0.06 116.42 121.71 1h1n h ASP 38 Ca 0.30 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.27 1h1n h ASP 38 Cb 0.36 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1h1n h ASP 38 CO -0.29 0.50 0.14 0.74 -1.72 0.00 0.00 179.24 178.60 1h1n h THR 39 N 0.79 1.25 -0.33 0.35 2.02 -0.81 -1.03 112.91 115.15 1h1n h THR 39 Ca 0.21 -0.90 -0.09 0.00 0.77 0.00 0.00 66.41 66.40 1h1n h THR 39 Cb -0.07 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1h1n h THR 39 CO -0.04 0.33 -0.17 -0.07 0.37 0.00 0.00 175.52 175.93 1h1n h LEU 40 N 0.82 0.59 -0.71 2.58 3.38 -0.29 -1.87 115.31 119.82 1h1n h LEU 40 Ca 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1h1n h LEU 40 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1h1n h LEU 40 CO 0.00 0.78 0.38 0.40 0.09 0.00 0.00 178.44 180.09 1h1n h ILE 41 N 0.54 1.22 0.00 1.22 2.04 -0.73 -2.01 117.51 119.79 1h1n h ILE 41 Ca 0.09 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1h1n h ILE 41 Cb 0.60 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1h1n h ILE 41 CO 0.04 0.24 -0.07 0.77 0.00 0.00 0.00 178.15 179.13 1h1n h SER 42 N 0.97 0.00 1.04 1.72 4.64 -0.56 0.45 113.55 121.82 1h1n h SER 42 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1h1n h SER 42 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1h1n h SER 42 CO -0.04 0.07 -0.03 0.29 -0.87 0.00 0.00 176.83 176.25 1h1n n LYS 43 N -3.48 0.04 0.00 4.77 4.76 -0.76 -4.92 118.16 118.57 1h1n n LYS 43 Ca -0.02 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1h1n n LYS 43 Cb 0.20 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 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 1.47 1.01 3.76 0.72 0.00 0.15 -4.93 105.19 107.38 1h1n n GLY 44 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.51 4.45 -0.02 1.61 -1.94 -0.92 -4.89 119.30 117.08 1h1n s MET 45 Ca 0.00 1.81 0.03 0.00 -1.71 0.00 0.00 55.69 55.82 1h1n s MET 45 Cb 0.00 -3.00 0.05 0.00 2.01 0.00 0.00 34.83 33.89 1h1n s MET 45 CO 0.00 0.04 0.86 0.27 -0.01 0.00 0.00 175.02 176.18 1h1n n ASN 46 N 0.79 0.97 -3.75 3.03 6.94 -0.46 -4.28 115.26 118.50 1h1n n ASN 46 Ca 0.01 -1.87 -0.12 0.00 -0.02 0.00 0.00 54.58 52.58 1h1n n ASN 46 Cb 0.45 -0.12 -0.12 0.00 -2.36 0.00 0.00 39.78 37.64 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 -0.79 -0.02 -0.08 1.53 2.07 -1.24 -0.95 121.20 121.72 1h1n s ILE 47 Ca 0.06 0.06 -0.01 0.00 -1.41 0.00 0.00 60.65 59.35 1h1n s ILE 47 Cb 0.05 -0.41 0.03 0.00 0.13 0.00 0.00 42.46 42.25 1h1n s ILE 47 CO 0.01 0.02 -0.03 -0.36 -1.91 0.00 0.00 174.94 172.67 1h1n s PHE 48 N 0.64 0.97 -0.17 3.50 0.40 -0.05 -2.01 117.98 121.26 1h1n s PHE 48 Ca -0.04 -0.37 -0.15 0.00 -0.60 0.00 0.00 56.93 55.77 1h1n s PHE 48 Cb -0.05 -0.94 -0.04 0.00 0.51 0.00 0.00 43.02 42.50 1h1n s PHE 48 CO -0.04 -0.37 0.36 0.50 0.70 0.00 0.00 175.22 176.37 1h1n s ARG 49 N 1.74 4.23 -0.47 0.44 3.52 -0.74 -0.63 118.95 127.03 1h1n s ARG 49 Ca 0.03 0.18 -0.01 0.00 -0.13 0.00 0.00 55.73 55.80 1h1n s ARG 49 Cb -0.13 -3.48 0.13 0.00 -1.56 0.00 0.00 34.95 29.91 1h1n s ARG 49 CO -0.05 0.10 0.25 0.08 -0.81 0.00 0.00 175.30 174.87 1h1n s VAL 50 N 0.88 3.17 0.51 7.11 1.01 0.48 -0.28 120.40 133.29 1h1n s VAL 50 Ca 0.19 -2.50 -0.23 0.00 0.00 0.00 0.00 61.98 59.44 1h1n s VAL 50 Cb -0.14 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.02 1h1n s VAL 50 CO 0.07 -0.74 1.32 -2.84 0.00 0.00 0.00 175.10 172.90 1h1n s PRO 51 N 0.60 3.37 0.19 2.72 0.02 -1.26 -2.17 135.00 138.47 1h1n s PRO 51 Ca 0.12 2.14 -0.15 0.00 0.02 0.00 0.00 61.00 63.13 1h1n s PRO 51 Cb -0.22 -2.35 0.02 0.00 0.02 0.00 0.00 34.50 31.97 1h1n s PRO 51 CO -0.04 -0.97 0.45 -0.59 -0.33 0.00 0.00 177.00 175.51 1h1n s PHE 52 N -1.35 0.05 -0.14 6.54 -0.71 -0.37 -4.07 117.98 117.93 1h1n s PHE 52 Ca 0.68 -0.40 -0.15 0.00 -1.04 0.00 0.00 56.93 56.02 1h1n s PHE 52 Cb -0.38 0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.64 1h1n s PHE 52 CO 0.45 -0.86 0.34 -1.64 -1.34 0.00 0.00 175.22 172.18 1h1n s MET 53 N -3.91 4.23 0.25 1.99 -1.94 -1.26 -0.28 119.30 118.39 1h1n s MET 53 Ca 0.12 0.20 -0.03 0.00 -1.71 0.00 0.00 55.69 54.27 1h1n s MET 53 Cb 0.00 -3.41 0.49 0.00 2.01 0.00 0.00 34.83 33.92 1h1n s MET 53 CO -0.02 0.26 1.76 0.52 -0.01 0.00 0.00 175.02 177.53 1h1n h MET 54 N 6.50 0.56 0.00 2.03 0.00 -1.91 -1.85 114.93 120.26 1h1n h MET 54 Ca -0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 59.70 59.19 1h1n h MET 54 Cb 1.17 -0.13 -0.01 0.00 0.00 0.00 0.00 31.60 32.64 1h1n h MET 54 CO 0.74 0.37 -0.24 0.93 0.00 0.00 0.00 176.91 178.72 1h1n h GLU 55 N 0.58 0.00 0.13 1.72 3.07 -1.94 0.23 114.58 118.37 1h1n h GLU 55 Ca 0.44 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 59.02 1h1n h GLU 55 Cb 0.61 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1h1n h GLU 55 CO -0.36 0.24 -1.28 0.00 -1.40 0.00 0.00 179.01 176.20 1h1n h ARG 56 N 0.00 0.28 0.07 2.33 3.08 -1.71 -3.02 114.38 115.41 1h1n h ARG 56 Ca -0.00 -0.49 -0.20 0.00 0.07 0.00 0.00 59.98 59.37 1h1n h ARG 56 Cb 0.65 0.18 0.02 0.00 0.08 0.00 0.00 29.97 30.90 1h1n h ARG 56 CO 0.03 1.22 -0.81 1.25 -1.07 0.00 0.00 179.97 180.59 1h1n h LEU 57 N 0.08 0.59 -6.74 3.04 5.85 -0.94 -3.40 115.31 113.78 1h1n h LEU 57 Ca -0.15 -0.84 -0.60 0.00 0.84 0.00 0.00 57.88 57.13 1h1n h LEU 57 Cb 1.99 -0.18 -0.40 0.00 0.37 0.00 0.00 40.66 42.44 1h1n h LEU 57 CO 0.20 1.36 -0.80 -0.69 -0.34 0.00 0.00 178.44 178.18 1h1n s VAL 58 N -2.91 1.23 0.71 1.05 1.01 0.03 -0.10 120.40 121.42 1h1n s VAL 58 Ca -0.12 -2.90 -0.13 0.00 0.00 0.00 0.00 61.98 58.83 1h1n s VAL 58 Cb 0.03 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1h1n s VAL 58 CO 0.85 -1.05 1.11 -2.84 0.00 0.00 0.00 175.10 173.16 1h1n s PRO 59 N -0.09 2.53 0.00 2.72 0.02 -1.14 -4.39 135.00 134.64 1h1n s PRO 59 Ca 0.25 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.60 1h1n s PRO 59 Cb -0.09 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1h1n s PRO 59 CO -0.11 -1.46 0.00 0.09 -0.33 0.00 0.00 177.00 175.20 1h1n n ASN 60 N -2.87 0.00 -3.94 2.53 3.02 -1.26 -4.70 115.26 108.04 1h1n n ASN 60 Ca 0.10 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.49 1h1n n ASN 60 Cb 0.52 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.64 0.00 6.41 0.15 -1.26 -5.02 113.70 114.61 1h1n s SER 61 Ca 0.00 -0.09 0.19 0.00 0.70 0.00 0.00 55.95 56.74 1h1n s SER 61 Cb 0.00 -0.12 0.86 0.00 -1.71 0.00 0.00 66.02 65.05 1h1n s SER 61 CO 0.00 0.04 1.60 1.15 1.20 0.00 0.00 173.24 177.22 1h1n n MET 62 N 3.16 0.10 0.00 5.44 0.00 -1.26 -1.52 117.12 123.05 1h1n n MET 62 Ca -0.15 0.15 0.14 0.00 0.00 0.00 0.00 57.70 57.84 1h1n n MET 62 Cb 0.57 -1.50 0.58 0.00 0.00 0.00 0.00 33.22 32.87 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 -1.42 0.00 -1.66 3.17 -2.24 -1.26 -3.66 114.28 107.21 1h1n n THR 63 Ca 0.06 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1h1n n THR 63 Cb 0.19 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.18 0.45 3.79 3.38 0.00 -0.57 -4.96 105.19 108.46 1h1n n GLY 64 Ca 0.18 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 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 7.22 0.78 1.61 0.01 -1.26 -4.99 113.70 116.07 1h1n s SER 65 Ca 0.00 1.73 -0.12 0.00 1.31 0.00 0.00 55.95 58.87 1h1n s SER 65 Cb 0.00 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.76 1h1n s SER 65 CO 0.00 -0.10 1.14 -2.84 0.41 0.00 0.00 173.24 171.85 1h1n s PRO 66 N -2.23 1.98 -0.21 12.44 0.02 -1.26 -4.33 135.00 141.42 1h1n s PRO 66 Ca 0.51 1.45 -0.29 0.00 0.02 0.00 0.00 61.00 62.69 1h1n s PRO 66 Cb -0.17 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1h1n s PRO 66 CO 0.22 -1.89 1.14 0.34 -0.33 0.00 0.00 177.00 176.47 1h1n s ASP 67 N -2.73 7.02 0.22 2.53 -1.08 0.86 -4.95 116.67 118.54 1h1n s ASP 67 Ca 0.67 1.49 -0.07 0.00 -0.52 0.00 0.00 52.55 54.11 1h1n s ASP 67 Cb -0.22 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.05 1h1n s ASP 67 CO 0.51 -0.72 1.74 -0.65 0.52 0.00 0.00 175.17 176.57 1h1n h PRO 68 N 7.81 0.43 -0.12 4.34 0.11 -1.93 -1.46 132.00 141.18 1h1n h PRO 68 Ca -0.22 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.73 1h1n h PRO 68 Cb 1.08 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.10 1h1n h PRO 68 CO 0.98 0.28 -0.46 -0.91 -0.21 0.00 0.00 178.00 177.68 1h1n h ASN 69 N 0.44 0.61 -0.34 -2.05 4.21 -1.96 -0.69 115.58 115.80 1h1n h ASN 69 Ca 0.35 -0.62 -0.16 0.00 1.21 0.00 0.00 56.30 57.08 1h1n h ASN 69 Cb 0.46 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1h1n h ASN 69 CO -0.34 1.13 -0.38 0.22 -1.29 0.00 0.00 177.43 176.77 1h1n h TYR 70 N 0.13 1.07 -0.46 1.19 3.20 -1.84 -2.36 116.97 117.91 1h1n h TYR 70 Ca -0.02 -0.32 0.01 0.00 3.14 0.00 0.00 58.73 61.54 1h1n h TYR 70 Cb 1.09 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 1h1n h TYR 70 CO 0.11 1.13 0.29 1.25 -1.64 0.00 0.00 178.16 179.30 1h1n h LEU 71 N 0.73 0.49 -0.99 2.82 5.85 -1.28 -1.33 115.31 121.61 1h1n h LEU 71 Ca 0.06 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.88 1h1n h LEU 71 Cb 0.97 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 1h1n h LEU 71 CO 0.09 0.35 0.62 0.00 -0.34 0.00 0.00 178.44 179.17 1h1n h ALA 72 N 1.18 1.47 -0.04 1.25 0.00 -0.83 0.62 119.26 122.92 1h1n h ALA 72 Ca 0.17 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.89 1h1n h ALA 72 Cb -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1h1n h ALA 72 CO -0.06 0.26 -0.85 -0.44 0.00 0.00 0.00 179.25 178.16 1h1n h ASP 73 N 1.01 0.52 -0.42 0.00 3.32 -1.07 -1.08 116.42 118.70 1h1n h ASP 73 Ca 0.48 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1h1n h ASP 73 Cb 0.42 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1h1n h ASP 73 CO -0.25 1.16 0.27 0.25 -1.72 0.00 0.00 179.24 178.95 1h1n h LEU 74 N 0.26 0.46 -0.36 1.55 5.85 -0.58 -0.72 115.31 121.77 1h1n h LEU 74 Ca -0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1h1n h LEU 74 Cb 1.46 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1h1n h LEU 74 CO 0.15 0.33 0.23 0.40 -0.34 0.00 0.00 178.44 179.21 1h1n h ILE 75 N 0.55 1.10 -0.62 4.05 2.04 -0.75 0.05 117.51 123.93 1h1n h ILE 75 Ca 0.16 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1h1n h ILE 75 Cb -0.05 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 1h1n h ILE 75 CO -0.04 0.10 0.35 0.00 0.00 0.00 0.00 178.15 178.56 1h1n h ALA 76 N 1.12 0.81 -0.28 1.87 0.00 -1.05 -0.13 119.26 121.61 1h1n h ALA 76 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1h1n h ALA 76 Cb -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1h1n h ALA 76 CO -0.03 0.05 0.05 1.15 0.00 0.00 0.00 179.25 180.48 1h1n h THR 77 N 0.68 1.23 -0.46 0.00 2.02 -0.70 -1.11 112.91 114.56 1h1n h THR 77 Ca 0.26 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.71 1h1n h THR 77 Cb 0.11 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1h1n h THR 77 CO -0.14 0.25 0.25 0.58 0.37 0.00 0.00 175.52 176.83 1h1n h VAL 78 N 0.27 1.01 -0.44 3.16 2.07 -0.74 -2.36 116.25 119.22 1h1n h VAL 78 Ca 0.08 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1h1n h VAL 78 Cb 0.32 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1h1n h VAL 78 CO 0.00 0.09 0.04 0.78 0.02 0.00 0.00 177.57 178.50 1h1n h ASN 79 N 0.50 0.65 -0.62 0.57 -0.26 -0.89 -0.22 115.58 115.31 1h1n h ASN 79 Ca 0.19 -0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 1h1n h ASN 79 Cb 0.06 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.12 1h1n h ASN 79 CO -0.11 0.70 0.34 0.00 -1.06 0.00 0.00 177.43 177.30 1h1n h ALA 80 N 1.39 1.41 0.18 -0.83 0.00 -0.70 -0.39 119.26 120.31 1h1n h ALA 80 Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1h1n h ALA 80 Cb 0.36 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1h1n h ALA 80 CO 0.01 0.49 -0.09 0.82 0.00 0.00 0.00 179.25 180.48 1h1n h ILE 81 N 0.89 0.86 0.00 0.00 2.04 -0.96 -3.38 117.51 116.95 1h1n h ILE 81 Ca 0.23 -1.03 -0.10 0.00 1.00 0.00 0.00 64.86 64.96 1h1n h ILE 81 Cb 0.03 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1h1n h ILE 81 CO -0.04 0.21 -0.50 0.71 0.00 0.00 0.00 178.15 178.53 1h1n h THR 82 N -0.81 0.92 -0.06 -0.27 1.35 -0.93 -2.90 112.91 110.21 1h1n h THR 82 Ca -0.02 -2.08 0.02 0.00 -0.55 0.00 0.00 66.41 63.77 1h1n h THR 82 Cb 0.52 2.29 -0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1h1n h THR 82 CO 0.04 0.49 0.05 1.56 -0.25 0.00 0.00 175.52 177.40 1h1n h GLN 83 N 0.00 0.00 -0.00 4.72 7.50 -1.24 0.09 115.11 126.18 1h1n h GLN 83 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1h1n h GLN 83 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.78 1h1n h GLN 83 CO 0.06 0.00 -0.20 1.63 -1.50 0.00 0.00 178.83 178.83 1h1n n LYS 84 N -4.20 0.41 0.00 1.46 4.76 -1.10 -4.94 118.16 114.55 1h1n n LYS 84 Ca -0.02 -0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 1h1n n LYS 84 Cb 0.15 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 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 1.38 0.28 3.91 0.72 0.00 0.02 -5.09 105.19 106.41 1h1n n GLY 85 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 3.30 0.10 4.61 0.00 -1.18 -5.01 121.76 121.58 1h1n s ALA 86 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 51.96 51.25 1h1n s ALA 86 Cb 0.00 -2.67 -0.07 0.00 0.00 0.00 0.00 23.12 20.39 1h1n s ALA 86 CO 0.00 -0.64 0.55 0.71 0.00 0.00 0.00 175.76 176.38 1h1n s TYR 87 N -2.93 3.72 -0.22 0.00 1.51 -0.12 -3.80 117.35 115.50 1h1n s TYR 87 Ca 0.52 1.16 -0.02 0.00 -1.01 0.00 0.00 57.07 57.71 1h1n s TYR 87 Cb -0.10 -2.42 0.01 0.00 -0.11 0.00 0.00 41.96 39.33 1h1n s TYR 87 CO 0.46 0.53 -0.08 0.00 -1.11 0.00 0.00 175.55 175.35 1h1n s ALA 88 N -1.26 2.67 -0.28 3.71 0.00 -0.37 -0.87 121.76 125.36 1h1n s ALA 88 Ca 0.32 -1.27 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 1h1n s ALA 88 Cb -0.17 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 1h1n s ALA 88 CO 0.18 -0.53 0.47 0.08 0.00 0.00 0.00 175.76 175.96 1h1n s VAL 89 N 1.39 5.09 -0.48 0.00 1.01 0.19 -0.62 120.40 126.98 1h1n s VAL 89 Ca 0.04 0.70 -0.24 0.00 0.00 0.00 0.00 61.98 62.49 1h1n s VAL 89 Cb -0.15 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1h1n s VAL 89 CO -0.06 0.06 0.85 -0.69 0.00 0.00 0.00 175.10 175.25 1h1n s VAL 90 N 2.25 4.56 -0.37 2.92 1.01 0.26 -0.39 120.40 130.65 1h1n s VAL 90 Ca 0.19 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.61 1h1n s VAL 90 Cb -0.16 -4.40 0.11 0.00 0.00 0.00 0.00 36.38 31.93 1h1n s VAL 90 CO 0.10 -0.84 0.11 -0.62 0.00 0.00 0.00 175.10 173.85 1h1n s ASP 91 N 2.35 4.91 -0.52 3.32 2.15 -0.92 -1.60 116.67 126.36 1h1n s ASP 91 Ca 0.31 -2.16 -0.27 0.00 0.43 0.00 0.00 52.55 50.86 1h1n s ASP 91 Cb -0.12 -1.69 -0.02 0.00 -0.30 0.00 0.00 42.92 40.78 1h1n s ASP 91 CO 0.22 -0.42 1.86 -2.16 -0.17 0.00 0.00 175.17 174.50 1h1n s PRO 92 N 0.92 2.83 -1.38 4.34 0.05 -1.26 -1.23 135.00 139.26 1h1n s PRO 92 Ca 0.10 0.91 -0.08 0.00 0.05 0.00 0.00 61.00 61.98 1h1n s PRO 92 Cb -0.20 -4.33 0.09 0.00 0.05 0.00 0.00 34.50 30.10 1h1n s PRO 92 CO -0.07 -2.47 2.33 1.58 0.05 0.00 0.00 177.00 178.42 1h1n n HIS 93 N 12.10 2.76 0.01 0.56 -0.00 0.61 -1.88 115.22 129.39 1h1n n HIS 93 Ca 0.22 -2.88 0.00 0.00 0.46 0.00 0.00 57.72 55.52 1h1n n HIS 93 Cb 0.51 -2.07 0.00 0.00 -0.12 0.00 0.00 29.99 28.31 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 3.16 1.05 -2.05 0.26 4.13 -1.26 -4.86 115.26 115.69 1h1n n ASN 94 Ca 0.58 -1.04 -0.19 0.00 1.68 0.00 0.00 54.58 55.61 1h1n n ASN 94 Cb 0.29 -0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.51 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 0.01 -0.75 -1.16 3.10 4.01 0.29 -1.34 117.16 121.32 1h1n n TYR 95 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.69 1h1n n TYR 95 Cb 0.01 -3.63 -0.02 0.00 -0.31 0.00 0.00 39.34 35.39 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 -0.95 0.76 3.13 2.72 0.00 -1.26 -4.21 105.19 105.38 1h1n n GLY 96 Ca -0.22 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.02 0.87 -0.05 1.61 0.52 -0.45 -0.87 118.95 118.56 1h1n s ARG 97 Ca 0.00 -0.74 -0.00 0.00 -0.52 0.00 0.00 55.73 54.47 1h1n s ARG 97 Cb 0.00 -0.85 0.03 0.00 0.52 0.00 0.00 34.95 34.64 1h1n s ARG 97 CO 0.00 0.21 -0.00 -0.47 0.02 0.00 0.00 175.30 175.06 1h1n s TYR 98 N -0.88 0.52 -1.59 -0.53 5.04 -0.04 -4.69 117.35 115.17 1h1n s TYR 98 Ca 0.00 -0.08 -0.12 0.00 -2.44 0.00 0.00 57.07 54.43 1h1n s TYR 98 Cb -0.08 -0.62 0.10 0.00 0.35 0.00 0.00 41.96 41.71 1h1n s TYR 98 CO 0.01 -0.23 0.67 0.66 -1.34 0.00 0.00 175.55 175.32 1h1n n TYR 99 N 4.63 -1.74 -1.17 4.97 4.01 -1.26 -2.06 117.16 124.54 1h1n n TYR 99 Ca -0.16 0.79 -0.06 0.00 -0.16 0.00 0.00 57.90 58.31 1h1n n TYR 99 Cb 0.50 -3.27 -0.03 0.00 -0.31 0.00 0.00 39.34 36.23 1h1n n TYR 99 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1h1n n ASN 100 N -2.78 -4.93 -4.39 7.72 3.02 -1.26 -4.99 115.26 107.65 1h1n n ASN 100 Ca -0.06 0.15 -0.32 0.00 -0.03 0.00 0.00 54.58 54.31 1h1n n ASN 100 Cb 0.56 -2.95 -0.14 0.00 -0.61 0.00 0.00 39.78 36.64 1h1n n ASN 100 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1h1n s SER 101 N -2.35 3.68 0.22 6.41 0.01 -0.88 -5.05 113.70 115.75 1h1n s SER 101 Ca 0.00 -0.32 -0.31 0.00 1.31 0.00 0.00 55.95 56.63 1h1n s SER 101 Cb 0.00 -0.86 -0.14 0.00 0.21 0.00 0.00 66.02 65.23 1h1n s SER 101 CO 0.00 0.30 1.24 -0.38 0.41 0.00 0.00 173.24 174.81 1h1n n ILE 102 N 2.61 1.09 -2.31 1.44 5.41 -1.26 -0.86 119.36 125.48 1h1n n ILE 102 Ca -0.17 -0.27 -0.42 0.00 1.00 0.00 0.00 62.75 62.89 1h1n n ILE 102 Cb 0.52 -1.13 -0.03 0.00 -0.71 0.00 0.00 39.64 38.29 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 -0.27 3.74 -2.06 1.39 1.01 -0.05 -4.80 121.20 120.16 1h1n s ILE 103 Ca 0.69 0.66 0.18 0.00 0.00 0.00 0.00 60.65 62.17 1h1n s ILE 103 Cb -0.75 -4.26 0.11 0.00 0.01 0.00 0.00 42.46 37.57 1h1n s ILE 103 CO 0.52 -0.98 1.02 -1.54 0.00 0.00 0.00 174.94 173.96 1h1n n SER 104 N 9.79 2.29 -4.11 3.58 3.41 -1.26 -4.79 113.62 122.53 1h1n n SER 104 Ca 0.15 -1.64 -0.35 0.00 -0.26 0.00 0.00 58.87 56.77 1h1n n SER 104 Cb 0.49 0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.60 5.14 0.39 4.04 0.15 -1.26 -4.96 113.70 115.60 1h1n s SER 105 Ca 0.19 -2.00 0.08 0.00 0.70 0.00 0.00 55.95 54.92 1h1n s SER 105 Cb 0.15 -1.78 0.83 0.00 -1.71 0.00 0.00 66.02 63.50 1h1n s SER 105 CO 0.27 -0.49 2.00 -0.65 1.20 0.00 0.00 173.24 175.57 1h1n h PRO 106 N 7.97 0.61 -0.60 5.44 0.11 -1.91 -2.02 132.00 141.59 1h1n h PRO 106 Ca -0.12 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.86 1h1n h PRO 106 Cb 1.04 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1h1n h PRO 106 CO 0.65 0.40 -0.01 1.03 -0.21 0.00 0.00 178.00 179.87 1h1n h SER 107 N 0.63 1.04 -0.47 -2.05 0.87 -1.96 0.16 113.55 111.77 1h1n h SER 107 Ca 0.24 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1h1n h SER 107 Cb 0.18 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1h1n h SER 107 CO -0.07 1.09 0.24 0.44 -0.53 0.00 0.00 176.83 178.00 1h1n h ASP 108 N 0.96 0.60 -0.43 6.23 3.32 -1.94 -1.75 116.42 123.41 1h1n h ASP 108 Ca 0.17 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1h1n h ASP 108 Cb 0.57 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1h1n h ASP 108 CO 0.03 0.55 -0.03 0.15 -1.72 0.00 0.00 179.24 178.22 1h1n h PHE 109 N 0.61 0.92 -0.76 4.55 3.57 -0.94 -1.62 116.94 123.27 1h1n h PHE 109 Ca 0.16 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1h1n h PHE 109 Cb 0.09 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1h1n h PHE 109 CO -0.01 0.86 0.28 1.49 -2.23 0.00 0.00 178.31 178.69 1h1n h GLU 110 N 0.79 1.16 -0.32 1.11 4.81 -0.32 -0.88 114.58 120.93 1h1n h GLU 110 Ca 0.14 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1h1n h GLU 110 Cb 0.52 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1h1n h GLU 110 CO 0.03 0.97 0.15 1.15 -0.73 0.00 0.00 179.01 180.57 1h1n h THR 111 N 1.12 1.16 -0.50 0.32 2.02 -0.96 0.12 112.91 116.20 1h1n h THR 111 Ca 0.25 -0.47 0.09 0.00 0.77 0.00 0.00 66.41 67.05 1h1n h THR 111 Cb 0.26 0.88 -0.08 0.00 -1.74 0.00 0.00 68.15 67.47 1h1n h THR 111 CO -0.01 0.17 0.02 0.15 0.37 0.00 0.00 175.52 176.22 1h1n h PHE 112 N 0.39 0.01 -0.29 3.16 3.57 -1.05 -0.61 116.94 122.12 1h1n h PHE 112 Ca 0.11 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.53 1h1n h PHE 112 Cb 0.13 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1h1n h PHE 112 CO -0.01 -0.09 -0.29 -1.49 -2.23 0.00 0.00 178.31 174.19 1h1n h TRP 113 N 0.14 0.69 -0.77 0.41 4.06 -0.70 -1.00 115.95 118.78 1h1n h TRP 113 Ca 0.25 -0.17 -0.00 0.00 2.06 0.00 0.00 58.89 61.03 1h1n h TRP 113 Cb 0.37 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.33 1h1n h TRP 113 CO -0.29 0.83 0.48 -0.22 -3.56 0.00 0.00 178.44 175.68 1h1n h LYS 114 N 0.52 1.03 -0.50 0.49 3.64 -0.18 0.56 116.57 122.13 1h1n h LYS 114 Ca 0.07 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1h1n h LYS 114 Cb 0.77 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1h1n h LYS 114 CO 0.06 0.72 0.29 1.15 -2.27 0.00 0.00 179.45 179.40 1h1n h THR 115 N 1.05 1.04 -0.03 1.00 2.02 -0.60 -0.92 112.91 116.46 1h1n h THR 115 Ca 0.28 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1h1n h THR 115 Cb -0.07 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1h1n h THR 115 CO -0.05 0.11 -0.04 0.58 0.37 0.00 0.00 175.52 176.48 1h1n h VAL 116 N 0.58 1.40 -0.18 3.16 2.07 -1.02 -3.19 116.25 119.08 1h1n h VAL 116 Ca 0.20 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1h1n h VAL 116 Cb 0.04 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1h1n h VAL 116 CO -0.10 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.83 1h1n h ALA 117 N 0.50 1.67 -0.14 1.67 0.00 -0.79 -1.24 119.26 120.93 1h1n h ALA 117 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1h1n h ALA 117 Cb 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1h1n h ALA 117 CO 0.01 0.25 0.10 0.77 0.00 0.00 0.00 179.25 180.38 1h1n h SER 118 N 0.26 0.05 0.85 0.00 0.02 -1.15 -0.38 113.55 113.20 1h1n h SER 118 Ca 0.06 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1h1n h SER 118 Cb 0.17 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1h1n h SER 118 CO 0.00 0.04 -0.10 1.56 -1.14 0.00 0.00 176.83 177.19 1h1n h GLN 119 N 0.06 0.00 0.00 3.45 1.08 -1.25 -3.32 115.11 115.13 1h1n h GLN 119 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1h1n h GLN 119 Cb 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1h1n h GLN 119 CO -0.01 0.10 -0.03 1.19 -0.95 0.00 0.00 178.83 179.13 1h1n n PHE 120 N -3.28 0.00 0.28 2.96 3.72 -0.51 -4.87 117.46 115.76 1h1n n PHE 120 Ca -0.00 -0.40 0.14 0.00 -0.05 0.00 0.00 57.45 57.14 1h1n n PHE 120 Cb 0.33 -0.05 0.80 0.00 -0.94 0.00 0.00 39.48 39.62 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 1.32 -0.02 4.37 0.00 -1.22 -1.55 119.26 122.17 1h1n h ALA 121 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1h1n h ALA 121 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1h1n h ALA 121 CO 0.00 0.10 -0.11 -1.13 0.00 0.00 0.00 179.25 178.11 1h1n n SER 122 N -3.64 1.76 -4.33 0.00 3.41 -1.26 -4.42 113.62 105.13 1h1n n SER 122 Ca -0.02 -1.47 -0.43 0.00 -0.26 0.00 0.00 58.87 56.69 1h1n n SER 122 Cb 0.19 0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.16 5.99 0.00 4.04 3.84 -0.58 -4.94 114.94 121.13 1h1n s ASN 123 Ca 0.31 -1.48 0.19 0.00 0.21 0.00 0.00 52.86 52.08 1h1n s ASN 123 Cb 0.20 -2.13 0.87 0.00 -0.55 0.00 0.00 41.25 39.64 1h1n s ASN 123 CO 0.39 -0.66 1.59 -0.81 -2.79 0.00 0.00 177.10 174.83 1h1n n PRO 124 N 5.12 0.12 0.00 0.43 -0.04 -1.26 -2.37 135.00 136.99 1h1n n PRO 124 Ca -0.12 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.62 1h1n n PRO 124 Cb 0.43 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.41 2.36 -4.76 1.53 4.77 -1.26 -4.63 117.00 113.60 1h1n n LEU 125 Ca 0.06 -0.79 -0.40 0.00 -0.03 0.00 0.00 56.01 54.86 1h1n n LEU 125 Cb 0.19 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1h1n n LEU 125 CO 0.16 0.40 0.58 -0.69 -1.33 0.00 0.00 177.39 176.50 1h1n s VAL 126 N -2.02 4.23 -0.12 4.08 1.01 -1.00 -1.23 120.40 125.35 1h1n s VAL 126 Ca 0.31 1.92 0.02 0.00 0.00 0.00 0.00 61.98 64.23 1h1n s VAL 126 Cb 0.20 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1h1n s VAL 126 CO 0.33 0.50 -0.18 -0.63 0.00 0.00 0.00 175.10 175.11 1h1n s ILE 127 N -1.07 2.62 -0.18 2.22 1.01 0.21 -4.24 121.20 121.77 1h1n s ILE 127 Ca 0.39 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 60.08 1h1n s ILE 127 Cb -0.25 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1h1n s ILE 127 CO 0.29 0.54 0.32 -0.36 0.00 0.00 0.00 174.94 175.73 1h1n s PHE 128 N 0.36 3.43 -0.28 3.97 0.08 -0.81 -0.57 117.98 124.16 1h1n s PHE 128 Ca -0.14 0.58 -0.04 0.00 0.12 0.00 0.00 56.93 57.45 1h1n s PHE 128 Cb -0.17 -2.39 0.02 0.00 -0.57 0.00 0.00 43.02 39.91 1h1n s PHE 128 CO 0.07 0.15 0.01 0.34 -0.10 0.00 0.00 175.22 175.69 1h1n s ASP 129 N 0.68 4.76 0.22 1.36 -1.08 -0.63 0.09 116.67 122.07 1h1n s ASP 129 Ca 0.17 -0.87 -0.08 0.00 -0.52 0.00 0.00 52.55 51.25 1h1n s ASP 129 Cb -0.14 -1.77 0.27 0.00 -1.46 0.00 0.00 42.92 39.83 1h1n s ASP 129 CO 0.05 -0.18 1.83 0.71 0.52 0.00 0.00 175.17 178.10 1h1n h THR 130 N 6.07 1.01 -1.42 1.71 1.35 -1.51 -3.37 112.91 116.76 1h1n h THR 130 Ca -0.30 -0.28 0.12 0.00 -0.55 0.00 0.00 66.41 65.40 1h1n h THR 130 Cb 1.11 0.13 -0.25 0.00 -1.73 0.00 0.00 68.15 67.40 1h1n h THR 130 CO 0.58 0.15 0.65 -0.62 -0.25 0.00 0.00 175.52 176.03 1h1n s ASP 131 N -5.68 -0.29 -0.09 5.36 2.15 -1.26 -4.76 116.67 112.11 1h1n s ASP 131 Ca -0.13 0.37 -0.30 0.00 0.43 0.00 0.00 52.55 52.93 1h1n s ASP 131 Cb 0.17 0.31 -0.02 0.00 -0.30 0.00 0.00 42.92 43.08 1h1n s ASP 131 CO 0.77 -0.22 1.14 0.21 -0.17 0.00 0.00 175.17 176.90 1h1n s ASN 132 N -0.81 7.10 -1.03 -0.34 2.47 -0.79 -4.53 114.94 117.02 1h1n s ASN 132 Ca 0.02 1.69 -0.14 0.00 0.42 0.00 0.00 52.86 54.86 1h1n s ASN 132 Cb -0.02 -2.55 -0.01 0.00 -1.45 0.00 0.00 41.25 37.22 1h1n s ASN 132 CO -0.03 -0.56 0.77 -0.62 -3.72 0.00 0.00 177.10 172.94 1h1n n GLU 133 N 5.32 -1.38 -1.58 0.43 1.02 -1.26 -0.54 120.64 122.64 1h1n n GLU 133 Ca 0.11 0.70 -0.44 0.00 -0.02 0.00 0.00 57.16 57.51 1h1n n GLU 133 Cb 0.47 -4.33 -0.01 0.00 -0.02 0.00 0.00 31.44 27.55 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 -3.51 1.10 -3.48 -0.32 4.01 -1.24 -4.36 117.16 109.36 1h1n n TYR 134 Ca -0.10 0.66 -0.13 0.00 -0.16 0.00 0.00 57.90 58.17 1h1n n TYR 134 Cb 0.59 -2.22 -0.04 0.00 -0.31 0.00 0.00 39.34 37.36 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 -1.14 -0.53 -1.25 -0.72 -3.43 -1.26 -0.77 115.29 106.18 1h1n s HIS 135 Ca 0.60 0.60 -0.19 0.00 -0.80 0.00 0.00 55.06 55.27 1h1n s HIS 135 Cb -0.66 0.50 0.01 0.00 -1.43 0.00 0.00 32.58 31.00 1h1n s HIS 135 CO 0.59 -0.67 0.61 -0.25 -2.00 0.00 0.00 174.74 173.02 1h1n n ASP 136 N 0.17 -3.38 -3.83 7.38 8.00 -1.26 -4.93 116.55 118.70 1h1n n ASP 136 Ca -0.16 -1.13 -0.08 0.00 0.71 0.00 0.00 54.79 54.13 1h1n n ASP 136 Cb 0.61 -2.62 -0.03 0.00 -0.02 0.00 0.00 41.12 39.07 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 -6.68 1.62 0.24 -1.24 0.23 -1.26 -5.10 119.30 107.10 1h1n s MET 137 Ca 0.35 -0.98 -0.31 0.00 -1.03 0.00 0.00 55.69 53.72 1h1n s MET 137 Cb -0.15 0.56 -0.11 0.00 -1.53 0.00 0.00 34.83 33.60 1h1n s MET 137 CO 0.91 -0.72 1.57 0.34 -2.03 0.00 0.00 175.02 175.10 1h1n s ASP 138 N -2.92 6.49 0.22 -1.18 -1.08 -1.26 -4.92 116.67 112.02 1h1n s ASP 138 Ca 0.12 2.80 -0.00 0.00 -0.52 0.00 0.00 52.55 54.94 1h1n s ASP 138 Cb -0.04 -2.62 0.20 0.00 -1.46 0.00 0.00 42.92 39.01 1h1n s ASP 138 CO 0.04 -0.85 1.56 -0.61 0.52 0.00 0.00 175.17 175.83 1h1n h GLN 139 N 5.65 0.48 -0.30 4.34 5.75 -2.00 -1.59 115.11 127.44 1h1n h GLN 139 Ca -0.45 -0.28 -0.14 0.00 -0.15 0.00 0.00 58.65 57.64 1h1n h GLN 139 Cb 1.21 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 1h1n h GLN 139 CO 0.84 0.86 -0.36 1.15 -2.65 0.00 0.00 178.83 178.68 1h1n h THR 140 N 0.38 1.29 -0.60 2.39 2.02 -1.99 -2.73 112.91 113.67 1h1n h THR 140 Ca 0.02 -1.52 0.04 0.00 0.77 0.00 0.00 66.41 65.72 1h1n h THR 140 Cb 0.99 1.44 -0.05 0.00 -1.74 0.00 0.00 68.15 68.80 1h1n h THR 140 CO 0.09 0.49 0.34 0.25 0.37 0.00 0.00 175.52 177.06 1h1n h LEU 141 N 0.58 0.53 -0.54 2.58 5.85 -1.85 -0.38 115.31 122.08 1h1n h LEU 141 Ca 0.06 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1h1n h LEU 141 Cb 0.89 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1h1n h LEU 141 CO 0.08 0.36 0.34 0.58 -0.34 0.00 0.00 178.44 179.46 1h1n h VAL 142 N 0.66 1.10 -0.13 1.05 2.07 -1.05 0.25 116.25 120.19 1h1n h VAL 142 Ca 0.26 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1h1n h VAL 142 Cb 0.10 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1h1n h VAL 142 CO -0.14 0.13 -0.08 0.25 0.02 0.00 0.00 177.57 177.74 1h1n h LEU 143 N 0.69 -0.26 -1.19 2.57 5.85 -1.16 -2.03 115.31 119.77 1h1n h LEU 143 Ca 0.21 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 1h1n h LEU 143 Cb -0.03 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1h1n h LEU 143 CO -0.07 -0.11 -0.14 0.78 -0.34 0.00 0.00 178.44 178.56 1h1n h ASN 144 N -0.08 0.37 -0.37 1.25 2.35 -0.31 -0.82 115.58 117.98 1h1n h ASN 144 Ca 0.08 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 1h1n h ASN 144 Cb 0.20 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1h1n h ASN 144 CO -0.18 0.55 -0.20 -0.07 -1.65 0.00 0.00 177.43 175.88 1h1n h LEU 145 N 0.36 0.81 -0.63 1.61 3.38 -0.36 -0.28 115.31 120.20 1h1n h LEU 145 Ca 0.07 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1h1n h LEU 145 Cb 0.47 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1h1n h LEU 145 CO 0.03 1.04 0.30 0.78 0.09 0.00 0.00 178.44 180.69 1h1n h ASN 146 N 0.58 0.83 -0.62 -0.43 2.35 -0.96 -0.88 115.58 116.44 1h1n h ASN 146 Ca 0.08 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 1h1n h ASN 146 Cb 0.75 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 1h1n h ASN 146 CO 0.06 0.73 0.13 -0.61 -1.65 0.00 0.00 177.43 176.08 1h1n h GLN 147 N 0.87 1.01 -0.74 0.81 5.75 -1.01 -1.96 115.11 119.84 1h1n h GLN 147 Ca 0.22 -0.26 0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1h1n h GLN 147 Cb 0.12 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 1h1n h GLN 147 CO -0.03 0.93 0.49 0.00 -2.65 0.00 0.00 178.83 177.57 1h1n h ALA 148 N 1.04 0.94 -0.27 3.38 0.00 -0.79 -0.37 119.26 123.18 1h1n h ALA 148 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1h1n h ALA 148 Cb 0.39 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1h1n h ALA 148 CO 0.01 0.35 0.15 0.00 0.00 0.00 0.00 179.25 179.76 1h1n h ALA 149 N 1.28 0.35 -0.37 0.00 0.00 -0.90 -0.53 119.26 119.08 1h1n h ALA 149 Ca 0.27 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1h1n h ALA 149 Cb -0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1h1n h ALA 149 CO -0.06 -0.11 0.10 0.82 0.00 0.00 0.00 179.25 179.99 1h1n h ILE 150 N 0.33 0.85 -0.66 0.00 2.04 -1.05 -0.24 117.51 118.78 1h1n h ILE 150 Ca 0.10 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1h1n h ILE 150 Cb 0.07 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1h1n h ILE 150 CO -0.02 0.04 0.35 0.44 0.00 0.00 0.00 178.15 178.97 1h1n h ASP 151 N 0.24 0.84 -0.26 1.72 3.32 -0.85 -0.73 116.42 120.68 1h1n h ASP 151 Ca 0.17 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1h1n h ASP 151 Cb 0.18 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1h1n h ASP 151 CO -0.20 0.70 0.11 1.23 -1.72 0.00 0.00 179.24 179.36 1h1n h GLY 152 N 0.91 0.42 0.98 2.75 0.00 -0.68 -0.44 103.07 107.01 1h1n h GLY 152 Ca 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h1n h GLY 152 CO -0.04 0.21 -0.06 -2.22 0.00 0.00 0.00 176.54 174.44 1h1n h ILE 153 N 0.28 0.87 -0.08 2.60 2.04 -0.72 -2.69 117.51 119.82 1h1n h ILE 153 Ca 0.09 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.84 1h1n h ILE 153 Cb 0.16 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1h1n h ILE 153 CO -0.01 0.00 -0.43 0.03 0.00 0.00 0.00 178.15 177.74 1h1n h ARG 154 N -0.16 0.18 0.00 2.37 2.47 -1.11 -2.23 114.38 115.91 1h1n h ARG 154 Ca -0.01 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 1h1n h ARG 154 Cb 0.13 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1h1n h ARG 154 CO 0.01 0.58 -0.05 0.66 0.56 0.00 0.00 179.97 181.74 1h1n h SER 155 N 0.15 0.00 0.18 7.04 4.64 -0.84 -1.94 113.55 122.79 1h1n h SER 155 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1h1n h SER 155 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1h1n h SER 155 CO 0.06 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.07 1h1n n ALA 156 N -2.39 2.61 -0.98 5.18 0.00 -0.85 -4.89 120.51 119.19 1h1n n ALA 156 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1h1n n ALA 156 Cb 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 1.06 0.46 3.47 0.00 0.00 -0.73 -4.75 105.19 104.71 1h1n n GLY 157 Ca 0.21 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 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 3.95 -0.41 4.61 0.00 -1.14 -4.70 121.76 122.07 1h1n s ALA 158 Ca 0.00 -3.33 0.13 0.00 0.00 0.00 0.00 51.96 48.76 1h1n s ALA 158 Cb 0.00 -4.17 -0.17 0.00 0.00 0.00 0.00 23.12 18.78 1h1n s ALA 158 CO 0.00 -2.82 0.47 0.25 0.00 0.00 0.00 175.76 173.66 1h1n n THR 159 N 4.76 0.00 0.18 0.00 -2.24 -1.26 -4.19 114.28 111.53 1h1n n THR 159 Ca 0.38 -0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 1h1n n THR 159 Cb 0.43 0.72 0.10 0.00 -2.10 0.00 0.00 70.33 69.47 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 -3.52 3.42 4.64 -1.86 -3.45 113.55 112.78 1h1n h SER 160 Ca 0.00 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1h1n h SER 160 Cb 0.42 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 1h1n h SER 160 CO 0.00 0.00 0.09 -1.10 -0.87 0.00 0.00 176.83 174.95 1h1n s GLN 161 N -3.28 4.24 0.57 4.77 1.11 -1.26 -4.96 119.66 120.86 1h1n s GLN 161 Ca 0.04 0.84 -0.19 0.00 0.01 0.00 0.00 55.36 56.06 1h1n s GLN 161 Cb 0.07 -2.93 -0.05 0.00 -1.01 0.00 0.00 33.01 29.10 1h1n s GLN 161 CO 0.72 0.43 1.16 0.71 0.01 0.00 0.00 175.29 178.33 1h1n s TYR 162 N -1.47 2.54 -0.16 0.91 2.02 -1.26 -4.87 117.35 115.06 1h1n s TYR 162 Ca 0.41 1.53 0.02 0.00 -0.37 0.00 0.00 57.07 58.66 1h1n s TYR 162 Cb -0.17 -3.37 0.02 0.00 -0.40 0.00 0.00 41.96 38.03 1h1n s TYR 162 CO 0.21 -1.88 -0.20 0.42 -1.57 0.00 0.00 175.55 172.53 1h1n s ILE 163 N -1.71 1.98 -0.36 2.71 1.01 -0.58 -1.92 121.20 122.32 1h1n s ILE 163 Ca 0.75 -0.91 -0.22 0.00 0.00 0.00 0.00 60.65 60.27 1h1n s ILE 163 Cb -0.27 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.43 1h1n s ILE 163 CO 0.30 0.53 0.71 -0.36 0.00 0.00 0.00 174.94 176.12 1h1n s PHE 164 N 1.11 3.13 0.23 3.97 0.40 0.11 -0.90 117.98 126.03 1h1n s PHE 164 Ca -0.00 0.43 -0.05 0.00 -0.60 0.00 0.00 56.93 56.70 1h1n s PHE 164 Cb -0.14 -3.28 -0.05 0.00 0.51 0.00 0.00 43.02 40.05 1h1n s PHE 164 CO -0.08 -0.69 0.48 0.14 0.70 0.00 0.00 175.22 175.76 1h1n s VAL 165 N 2.91 5.07 0.04 -0.44 -7.23 -0.36 -1.33 120.40 119.07 1h1n s VAL 165 Ca 0.28 0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.55 1h1n s VAL 165 Cb -0.14 -3.68 -0.02 0.00 0.56 0.00 0.00 36.38 33.10 1h1n s VAL 165 CO 0.16 -0.16 -0.14 -1.61 -0.31 0.00 0.00 175.10 173.04 1h1n s GLU 166 N -3.14 0.93 0.58 4.82 2.02 -1.26 -0.77 118.70 121.87 1h1n s GLU 166 Ca 0.43 -0.80 0.09 0.00 0.02 0.00 0.00 54.97 54.71 1h1n s GLU 166 Cb -0.11 -0.94 0.09 0.00 0.10 0.00 0.00 34.13 33.26 1h1n s GLU 166 CO 0.27 0.23 0.75 0.20 0.02 0.00 0.00 175.26 176.72 1h1n s GLY 167 N -1.24 1.81 1.15 -1.39 0.00 -1.26 -4.86 107.32 101.53 1h1n s GLY 167 Ca 0.01 -2.03 -0.19 0.00 0.00 0.00 0.00 44.72 42.50 1h1n s GLY 167 CO 0.01 -1.74 1.07 -2.01 0.00 0.00 0.00 173.10 170.43 1h1n n ASN 168 N -2.20 -1.84 -3.73 1.64 2.85 -1.26 -2.22 115.26 108.49 1h1n n ASN 168 Ca 0.13 -1.17 -0.26 0.00 -0.11 0.00 0.00 54.58 53.18 1h1n n ASN 168 Cb 0.62 -0.96 0.05 0.00 1.24 0.00 0.00 39.78 40.73 1h1n n ASN 168 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1h1n n SER 169 N -4.69 -4.64 -2.87 1.20 7.64 -1.18 -1.79 113.62 107.28 1h1n n SER 169 Ca 0.15 -0.69 -0.22 0.00 1.01 0.00 0.00 58.87 59.12 1h1n n SER 169 Cb 0.56 -4.42 0.02 0.00 -1.01 0.00 0.00 64.21 59.36 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 -4.70 -1.69 -2.96 1.43 7.02 0.05 -1.49 117.44 115.10 1h1n n TRP 170 Ca -0.04 0.36 -0.14 0.00 -1.02 0.00 0.00 57.50 56.66 1h1n n TRP 170 Cb 0.57 -4.18 -0.01 0.00 -2.42 0.00 0.00 31.31 25.27 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 -4.30 -0.36 -2.01 -0.99 5.66 -0.74 -4.61 114.28 106.93 1h1n n THR 171 Ca -0.14 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.45 1h1n n THR 171 Cb 0.63 -0.87 -0.01 0.00 -1.55 0.00 0.00 70.33 68.53 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 -2.34 2.97 0.08 1.09 0.00 -0.56 -0.89 107.32 107.68 1h1n s GLY 172 Ca 0.20 1.35 -0.18 0.00 0.00 0.00 0.00 44.72 46.09 1h1n s GLY 172 CO 0.25 1.99 1.46 0.00 0.00 0.00 0.00 173.10 176.81 1h1n h ALA 173 N 3.10 0.34 0.00 3.20 0.00 -1.50 -2.92 119.26 121.49 1h1n h ALA 173 Ca -0.50 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 1h1n h ALA 173 Cb 1.23 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1h1n h ALA 173 CO 0.64 0.16 -0.09 0.11 0.00 0.00 0.00 179.25 180.07 1h1n h TRP 174 N 0.23 0.00 -0.03 0.00 5.08 -1.77 -2.25 115.95 117.21 1h1n h TRP 174 Ca 0.06 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.03 1h1n h TRP 174 Cb 0.55 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.71 1h1n h TRP 174 CO 0.05 0.09 -0.10 0.25 -1.28 0.00 0.00 178.44 177.45 1h1n n THR 175 N -3.85 0.00 0.31 0.12 -2.24 -1.23 -4.74 114.28 102.65 1h1n n THR 175 Ca -0.02 -0.45 -0.18 0.00 -2.27 0.00 0.00 64.05 61.13 1h1n n THR 175 Cb 0.19 1.44 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 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 4.15 -1.34 0.00 4.78 2.91 -1.20 -2.40 115.95 122.85 1h1n h TRP 176 Ca 0.00 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.99 1h1n h TRP 176 Cb 0.93 0.51 -0.01 0.00 -0.51 0.00 0.00 29.16 30.09 1h1n h TRP 176 CO 0.00 -0.66 -0.17 1.79 -1.03 0.00 0.00 178.44 178.36 1h1n h THR 177 N -1.01 0.60 0.00 2.65 1.35 -1.85 0.13 112.91 114.78 1h1n h THR 177 Ca -0.06 -0.78 -0.06 0.00 -0.55 0.00 0.00 66.41 64.96 1h1n h THR 177 Cb 0.87 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 1h1n h THR 177 CO -0.04 0.17 -0.27 0.78 -0.25 0.00 0.00 175.52 175.91 1h1n h ASN 178 N 0.00 0.00 0.00 5.36 -0.26 -1.77 -3.40 115.58 115.51 1h1n h ASN 178 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1h1n h ASN 178 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 1h1n h ASN 178 CO 0.02 0.27 -0.53 1.33 -1.06 0.00 0.00 177.43 177.47 1h1n n VAL 179 N -3.50 0.00 -1.00 2.81 0.24 -0.95 -4.91 118.33 111.02 1h1n n VAL 179 Ca -0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.36 1h1n n VAL 179 Cb 0.43 -0.28 0.30 0.00 -1.47 0.00 0.00 33.84 32.82 1h1n n VAL 179 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1h1n n ASN 180 N -1.13 4.33 -0.12 -1.34 3.02 0.42 -4.65 115.26 115.79 1h1n n ASN 180 Ca 0.00 -3.05 0.12 0.00 -0.03 0.00 0.00 54.58 51.62 1h1n n ASN 180 Cb 0.18 -0.60 0.48 0.00 -0.61 0.00 0.00 39.78 39.23 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 2.34 0.42 0.27 6.41 3.58 -1.79 -0.92 116.42 126.74 1h1n h ASP 181 Ca 0.03 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1h1n h ASP 181 Cb 1.64 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.62 1h1n h ASP 181 CO 0.33 0.25 0.00 -0.55 -2.88 0.00 0.00 179.24 176.39 1h1n h ASN 182 N 0.47 0.00 0.33 2.28 -1.07 -1.96 -2.15 115.58 113.47 1h1n h ASN 182 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.68 1h1n h ASN 182 Cb 0.59 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.84 1h1n h ASN 182 CO -0.10 0.00 0.00 0.23 0.07 0.00 0.00 177.43 177.63 1h1n n MET 183 N -3.04 0.10 0.31 4.14 2.81 -0.35 -2.37 117.12 118.72 1h1n n MET 183 Ca -0.02 0.47 0.20 0.00 -1.81 0.00 0.00 57.70 56.54 1h1n n MET 183 Cb 0.13 -1.75 1.00 0.00 -0.71 0.00 0.00 33.22 31.89 1h1n n MET 183 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1h1n h LYS 184 N 0.00 0.00 -0.01 0.03 2.10 -1.59 -3.01 116.57 114.09 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 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1h1n h LYS 184 CO 0.00 0.01 -0.06 0.43 -2.00 0.00 0.00 179.45 177.83 1h1n n SER 185 N -3.16 1.04 -4.67 7.07 7.64 -1.00 -4.91 113.62 115.63 1h1n n SER 185 Ca -0.02 -1.18 -0.43 0.00 1.01 0.00 0.00 58.87 58.25 1h1n n SER 185 Cb 0.16 0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.36 1h1n n SER 185 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1h1n n LEU 186 N -0.31 3.11 -4.38 -3.43 4.77 -1.14 -5.00 117.00 110.62 1h1n n LEU 186 Ca 0.18 1.20 -0.27 0.00 -0.03 0.00 0.00 56.01 57.09 1h1n n LEU 186 Cb 0.31 -1.44 -0.12 0.00 -2.33 0.00 0.00 43.42 39.84 1h1n n LEU 186 CO 0.19 -0.70 -0.54 0.42 -1.33 0.00 0.00 177.39 175.43 1h1n s THR 187 N -1.05 2.15 -0.18 -5.08 -4.23 -1.26 -5.11 115.64 100.88 1h1n s THR 187 Ca 0.57 -1.80 -0.07 0.00 -1.18 0.00 0.00 61.69 59.21 1h1n s THR 187 Cb -0.60 -1.94 0.08 0.00 1.34 0.00 0.00 72.50 71.38 1h1n s THR 187 CO 0.61 -0.02 0.38 -0.62 -0.54 0.00 0.00 174.62 174.43 1h1n s ASP 188 N -2.24 -0.15 0.59 3.99 2.15 -1.26 -4.92 116.67 114.83 1h1n s ASP 188 Ca 0.14 0.89 0.34 0.00 0.43 0.00 0.00 52.55 54.36 1h1n s ASP 188 Cb -0.09 1.15 1.85 0.00 -0.30 0.00 0.00 42.92 45.52 1h1n s ASP 188 CO 0.07 -0.23 2.21 1.55 -0.17 0.00 0.00 175.17 178.60 1h1n h PRO 189 N 8.08 0.00 0.00 4.34 0.13 -2.00 -0.25 132.00 142.30 1h1n h PRO 189 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 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 0.14 0.04 -0.25 0.43 -0.23 0.00 0.00 178.00 178.13 1h1n n SER 190 N -3.49 0.25 -3.57 1.44 7.64 -1.26 -4.96 113.62 109.66 1h1n n SER 190 Ca -0.02 0.13 -0.21 0.00 1.01 0.00 0.00 58.87 59.78 1h1n n SER 190 Cb 0.15 -0.13 0.07 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.51 -3.16 -2.18 6.43 2.03 -0.11 -4.92 116.55 113.14 1h1n n ASP 191 Ca 0.06 -0.66 -0.05 0.00 0.52 0.00 0.00 54.79 54.66 1h1n n ASP 191 Cb 0.34 -4.77 0.05 0.00 -0.72 0.00 0.00 41.12 36.03 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 -4.43 1.94 -2.70 -0.67 5.02 -1.26 -5.05 118.16 111.01 1h1n n LYS 192 Ca -0.19 -3.42 -0.41 0.00 -2.02 0.00 0.00 58.31 52.27 1h1n n LYS 192 Cb 0.63 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 34.08 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 -3.33 4.48 -0.08 -0.18 1.01 -1.26 -1.53 121.20 120.31 1h1n s ILE 193 Ca 0.36 2.01 0.03 0.00 0.00 0.00 0.00 60.65 63.05 1h1n s ILE 193 Cb 0.36 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 38.55 1h1n s ILE 193 CO -0.04 0.28 -0.17 -0.63 0.00 0.00 0.00 174.94 174.38 1h1n s ILE 194 N 0.16 1.55 -0.53 2.92 -1.09 -0.08 -4.58 121.20 119.54 1h1n s ILE 194 Ca 0.48 -0.72 -0.27 0.00 -2.23 0.00 0.00 60.65 57.91 1h1n s ILE 194 Cb -0.24 -1.37 0.03 0.00 -1.58 0.00 0.00 42.46 39.31 1h1n s ILE 194 CO 0.30 0.45 1.09 -0.31 -1.23 0.00 0.00 174.94 175.23 1h1n s TYR 195 N 0.52 2.74 -0.21 3.97 1.51 0.24 -1.22 117.35 124.90 1h1n s TYR 195 Ca -0.16 0.39 -0.20 0.00 -1.01 0.00 0.00 57.07 56.09 1h1n s TYR 195 Cb -0.17 -4.33 -0.03 0.00 -0.11 0.00 0.00 41.96 37.33 1h1n s TYR 195 CO 0.06 -1.40 0.58 -2.00 -1.11 0.00 0.00 175.55 171.69 1h1n s GLU 196 N 4.46 4.17 0.23 -0.62 2.12 0.05 -1.21 118.70 127.89 1h1n s GLU 196 Ca 0.41 0.51 0.11 0.00 0.36 0.00 0.00 54.97 56.35 1h1n s GLU 196 Cb -0.09 -3.59 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 1h1n s GLU 196 CO 0.26 -0.25 -0.17 -1.64 -0.54 0.00 0.00 175.26 172.92 1h1n s MET 197 N 1.95 1.79 0.00 4.30 -1.94 -0.19 -4.42 119.30 120.80 1h1n s MET 197 Ca 0.26 -1.53 0.05 0.00 -1.71 0.00 0.00 55.69 52.77 1h1n s MET 197 Cb -0.16 -1.93 -0.03 0.00 2.01 0.00 0.00 34.83 34.72 1h1n s MET 197 CO 0.10 0.38 -0.15 -1.01 -0.01 0.00 0.00 175.02 174.33 1h1n s HIS 198 N -2.01 2.65 -0.15 -0.03 3.76 -0.07 -0.44 115.29 119.01 1h1n s HIS 198 Ca 0.26 -0.20 -0.05 0.00 -0.15 0.00 0.00 55.06 54.93 1h1n s HIS 198 Cb -0.07 -1.55 0.07 0.00 1.11 0.00 0.00 32.58 32.15 1h1n s HIS 198 CO 0.14 0.24 0.28 -1.14 -0.85 0.00 0.00 174.74 173.40 1h1n s GLN 199 N -1.15 0.17 0.41 1.40 2.00 -0.18 -1.31 119.66 121.01 1h1n s GLN 199 Ca 0.14 0.71 0.08 0.00 -2.00 0.00 0.00 55.36 54.28 1h1n s GLN 199 Cb -0.11 -0.15 -0.03 0.00 0.80 0.00 0.00 33.01 33.53 1h1n s GLN 199 CO 0.04 -0.34 0.34 0.71 -0.50 0.00 0.00 175.29 175.54 1h1n s TYR 200 N 2.43 2.70 0.00 1.67 2.02 -1.26 -4.11 117.35 120.81 1h1n s TYR 200 Ca 0.02 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 1h1n s TYR 200 Cb -0.13 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.31 1h1n s TYR 200 CO -0.10 -0.06 0.36 1.28 -1.57 0.00 0.00 175.55 175.46 1h1n n LEU 201 N -1.49 0.71 -4.91 -1.29 4.77 -1.26 -4.69 117.00 108.84 1h1n n LEU 201 Ca 0.03 -0.79 -0.28 0.00 -0.03 0.00 0.00 56.01 54.93 1h1n n LEU 201 Cb 0.62 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.80 1h1n n LEU 201 CO 0.43 0.18 0.72 1.51 -1.33 0.00 0.00 177.39 178.90 1h1n s ASP 202 N -0.17 4.58 0.16 -1.43 -4.77 -1.26 -1.18 116.67 112.62 1h1n s ASP 202 Ca 0.00 0.64 -0.16 0.00 -3.30 0.00 0.00 52.55 49.72 1h1n s ASP 202 Cb 0.00 -1.18 0.10 0.00 -1.09 0.00 0.00 42.92 40.75 1h1n s ASP 202 CO 0.00 -1.81 1.69 0.28 0.70 0.00 0.00 175.17 176.03 1h1n h SER 203 N -0.90 -0.22 -0.33 2.11 0.02 -1.93 -1.23 113.55 111.07 1h1n h SER 203 Ca -0.45 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1h1n h SER 203 Cb 1.32 0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.05 1h1n h SER 203 CO 0.63 -0.07 0.00 -0.90 -1.14 0.00 0.00 176.83 175.35 1h1n n ASP 204 N -5.23 2.31 -1.34 3.07 5.75 -1.26 -4.93 116.55 114.93 1h1n n ASP 204 Ca 0.02 -1.89 -0.17 0.00 -0.01 0.00 0.00 54.79 52.74 1h1n n ASP 204 Cb 0.21 -0.22 -0.07 0.00 -1.03 0.00 0.00 41.12 40.01 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 1.24 1.69 0.11 6.12 0.00 -0.46 -4.88 105.19 109.00 1h1n n GLY 205 Ca 0.16 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.57 1.61 4.64 -1.91 -3.38 113.55 109.94 1h1n h SER 206 Ca -0.36 -0.04 -0.30 0.00 -0.47 0.00 0.00 61.79 60.62 1h1n h SER 206 Cb 1.23 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.42 1h1n h SER 206 CO 0.52 0.02 -0.51 0.61 -0.87 0.00 0.00 176.83 176.60 1h1n n GLY 207 N 1.30 -0.19 0.00 -0.77 0.00 -1.26 -4.93 105.19 99.34 1h1n n GLY 207 Ca 0.05 0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.39 0.00 -4.27 2.61 -2.24 -1.26 -5.01 114.28 99.72 1h1n n THR 208 Ca -0.00 -0.20 -0.33 0.00 -2.27 0.00 0.00 64.05 61.25 1h1n n THR 208 Cb 0.55 0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 69.21 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 -2.46 5.18 0.30 3.42 0.15 -1.26 -5.02 113.70 114.00 1h1n s SER 209 Ca -0.01 0.01 0.25 0.00 0.70 0.00 0.00 55.95 56.91 1h1n s SER 209 Cb 0.04 -1.37 0.98 0.00 -1.71 0.00 0.00 66.02 63.96 1h1n s SER 209 CO 0.27 0.28 1.76 0.00 1.20 0.00 0.00 173.24 176.75 1h1n h ALA 210 N 4.36 1.00 -2.10 5.45 0.00 -1.96 -3.43 119.26 122.58 1h1n h ALA 210 Ca -0.49 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 53.84 1h1n h ALA 210 Cb 1.18 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1h1n h ALA 210 CO 0.58 0.00 0.78 0.99 0.00 0.00 0.00 179.25 181.60 1h1n s THR 211 N -3.32 4.68 0.16 0.00 2.01 -1.26 -2.74 115.64 115.16 1h1n s THR 211 Ca 0.05 2.02 -0.04 0.00 0.31 0.00 0.00 61.69 64.03 1h1n s THR 211 Cb 0.10 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 1h1n s THR 211 CO 0.47 -0.16 0.38 0.00 -0.69 0.00 0.00 174.62 174.61 1h1n h VAL 213 N 1.92 1.08 -2.24 0.00 2.07 -1.45 -3.47 116.25 114.17 1h1n h VAL 213 Ca -0.46 -0.31 0.19 0.00 0.82 0.00 0.00 66.70 66.94 1h1n h VAL 213 Cb 1.17 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 1h1n h VAL 213 CO 0.72 0.16 0.52 -0.94 0.02 0.00 0.00 177.57 178.05 1h1n s SER 214 N -5.76 -0.17 0.00 0.57 1.04 -1.26 -5.02 113.70 103.09 1h1n s SER 214 Ca -0.13 -0.37 0.17 0.00 0.48 0.00 0.00 55.95 56.10 1h1n s SER 214 Cb 0.16 0.45 0.73 0.00 0.10 0.00 0.00 66.02 67.46 1h1n s SER 214 CO 0.78 -0.83 1.54 -1.54 0.98 0.00 0.00 173.24 174.16 1h1n n SER 215 N -0.47 0.00 -0.32 7.02 3.41 -1.26 -3.03 113.62 118.98 1h1n n SER 215 Ca -0.06 0.47 0.03 0.00 -0.26 0.00 0.00 58.87 59.04 1h1n n SER 215 Cb 0.61 -0.48 0.07 0.00 -0.26 0.00 0.00 64.21 64.14 1h1n n SER 215 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1h1n n THR 216 N -1.48 0.71 0.09 6.66 -2.24 -1.26 -2.59 114.28 114.16 1h1n n THR 216 Ca 0.04 -0.85 -0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1h1n n THR 216 Cb 0.19 0.68 0.30 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.12 1.24 -0.01 2.28 6.09 -1.86 -1.84 117.51 124.53 1h1n h ILE 217 Ca 0.00 -1.09 -0.00 0.00 -1.37 0.00 0.00 64.86 62.40 1h1n h ILE 217 Cb 0.52 1.36 0.00 0.00 0.47 0.00 0.00 36.82 39.17 1h1n h ILE 217 CO 0.00 0.34 -0.01 1.23 -3.07 0.00 0.00 178.15 176.64 1h1n h GLY 218 N 0.95 0.02 1.31 8.18 0.00 -1.85 -1.84 103.07 109.85 1h1n h GLY 218 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1h1n h GLY 218 CO 0.04 0.02 0.35 0.06 0.00 0.00 0.00 176.54 177.00 1h1n h GLN 219 N -0.54 0.90 -0.85 4.80 3.07 -1.75 -2.03 115.11 118.71 1h1n h GLN 219 Ca 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 58.65 58.63 1h1n h GLN 219 Cb 0.57 -0.18 -0.04 0.00 0.08 0.00 0.00 27.48 27.91 1h1n h GLN 219 CO 0.00 0.67 0.50 0.93 0.09 0.00 0.00 178.83 181.03 1h1n h GLU 220 N 0.91 1.17 0.00 0.06 5.08 -1.29 -3.06 114.58 117.45 1h1n h GLU 220 Ca 0.23 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1h1n h GLU 220 Cb 0.04 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1h1n h GLU 220 CO -0.04 0.83 0.00 0.54 -1.00 0.00 0.00 179.01 179.34 1h1n n ARG 221 N -4.41 0.20 -0.00 2.33 1.74 -0.70 -3.10 116.66 112.72 1h1n n ARG 221 Ca 0.09 0.07 0.03 0.00 -0.77 0.00 0.00 57.85 57.26 1h1n n ARG 221 Cb 0.07 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.03 1h1n n ARG 221 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1h1n n ILE 222 N -1.38 0.05 -0.05 0.55 -5.35 -1.09 -2.63 119.36 109.46 1h1n n ILE 222 Ca 0.09 -0.53 -0.12 0.00 -0.27 0.00 0.00 62.75 61.93 1h1n n ILE 222 Cb 0.24 1.08 -0.06 0.00 -1.74 0.00 0.00 39.64 39.16 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 1.07 1.26 -0.29 7.28 1.35 -1.53 -1.50 112.91 120.55 1h1n h THR 223 Ca 0.00 -0.85 -0.09 0.00 -0.55 0.00 0.00 66.41 64.92 1h1n h THR 223 Cb 0.25 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1h1n h THR 223 CO 0.00 0.25 -0.20 0.77 -0.25 0.00 0.00 175.52 176.09 1h1n h SER 224 N -0.02 0.53 -0.61 5.36 4.64 -1.86 -1.77 113.55 119.83 1h1n h SER 224 Ca 0.04 -0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.11 1h1n h SER 224 Cb 0.38 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1h1n h SER 224 CO 0.01 0.74 0.07 0.00 -0.87 0.00 0.00 176.83 176.78 1h1n h ALA 225 N 1.31 0.81 -0.46 5.18 0.00 -1.75 -0.45 119.26 123.90 1h1n h ALA 225 Ca 0.08 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1h1n h ALA 225 Cb 0.62 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1h1n h ALA 225 CO 0.04 0.59 0.29 1.15 0.00 0.00 0.00 179.25 181.33 1h1n h THR 226 N 0.93 1.09 -0.47 0.00 2.02 -0.79 -0.76 112.91 114.94 1h1n h THR 226 Ca 0.18 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 1h1n h THR 226 Cb 0.46 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1h1n h THR 226 CO 0.02 0.11 0.02 1.56 0.37 0.00 0.00 175.52 177.59 1h1n h GLN 227 N 0.59 0.77 -0.18 6.66 7.50 -0.98 -1.45 115.11 128.02 1h1n h GLN 227 Ca 0.17 -0.20 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1h1n h GLN 227 Cb -0.04 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.38 1h1n h GLN 227 CO -0.05 0.77 0.07 2.35 -1.50 0.00 0.00 178.83 180.47 1h1n h TRP 228 N 0.73 0.28 -0.53 2.96 7.01 -0.72 0.16 115.95 125.84 1h1n h TRP 228 Ca 0.15 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.15 1h1n h TRP 228 Cb 0.42 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.36 1h1n h TRP 228 CO 0.02 0.35 0.31 -0.07 -2.79 0.00 0.00 178.44 176.26 1h1n h LEU 229 N 0.13 0.48 -0.25 0.65 3.38 -0.91 -1.75 115.31 117.04 1h1n h LEU 229 Ca 0.06 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1h1n h LEU 229 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1h1n h LEU 229 CO -0.00 0.33 0.04 -0.09 0.09 0.00 0.00 178.44 178.81 1h1n h ARG 230 N 0.60 0.42 -0.56 1.13 2.43 -1.05 0.01 114.38 117.36 1h1n h ARG 230 Ca 0.22 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1h1n h ARG 230 Cb 0.07 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1h1n h ARG 230 CO -0.12 0.55 0.36 0.00 -1.51 0.00 0.00 179.97 179.24 1h1n h ALA 231 N 0.86 1.58 -0.27 2.80 0.00 -0.82 -2.51 119.26 120.89 1h1n h ALA 231 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1h1n h ALA 231 Cb 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1h1n h ALA 231 CO 0.00 0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.73 1h1n n ASN 232 N -4.44 3.05 -1.29 0.00 4.13 -0.67 -4.96 115.26 111.08 1h1n n ASN 232 Ca 0.05 -1.94 -0.12 0.00 1.68 0.00 0.00 54.58 54.26 1h1n n ASN 232 Cb 0.06 -0.17 -0.01 0.00 -1.54 0.00 0.00 39.78 38.12 1h1n n ASN 232 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1h1n n GLY 233 N 1.41 0.02 3.86 7.41 0.00 -0.48 -5.02 105.19 112.39 1h1n n GLY 233 Ca 0.18 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.43 2.65 0.08 1.61 -0.14 -0.13 -5.04 119.74 114.34 1h1n s LYS 234 Ca 0.00 -1.38 0.08 0.00 -1.36 0.00 0.00 55.97 53.32 1h1n s LYS 234 Cb 0.00 -2.44 -0.04 0.00 -1.68 0.00 0.00 37.83 33.68 1h1n s LYS 234 CO 0.00 0.01 -0.19 0.15 -0.76 0.00 0.00 175.35 174.55 1h1n s LYS 235 N -4.03 1.88 0.29 1.68 1.02 -1.26 -4.51 119.74 114.81 1h1n s LYS 235 Ca 0.43 -1.10 0.05 0.00 0.02 0.00 0.00 55.97 55.37 1h1n s LYS 235 Cb -0.05 -2.12 -0.06 0.00 -0.52 0.00 0.00 37.83 35.08 1h1n s LYS 235 CO 0.27 0.51 -0.01 0.20 -0.92 0.00 0.00 175.35 175.40 1h1n s GLY 236 N -1.76 1.90 -0.01 -3.33 0.00 0.61 -0.59 107.32 104.15 1h1n s GLY 236 Ca 0.16 -1.96 -0.03 0.00 0.00 0.00 0.00 44.72 42.89 1h1n s GLY 236 CO 0.07 -1.82 0.07 -1.50 0.00 0.00 0.00 173.10 169.92 1h1n s ILE 237 N -3.15 0.06 -0.59 0.90 2.07 -0.35 -0.97 121.20 119.17 1h1n s ILE 237 Ca 0.32 -0.49 -0.23 0.00 -1.41 0.00 0.00 60.65 58.84 1h1n s ILE 237 Cb 0.06 -0.26 0.05 0.00 0.13 0.00 0.00 42.46 42.44 1h1n s ILE 237 CO 0.13 -0.27 0.92 -0.63 -1.91 0.00 0.00 174.94 173.18 1h1n s ILE 238 N -0.85 4.41 -0.91 2.00 -1.09 -0.72 -1.02 121.20 123.03 1h1n s ILE 238 Ca -0.09 -0.06 0.26 0.00 -2.23 0.00 0.00 60.65 58.52 1h1n s ILE 238 Cb -0.06 -4.57 0.09 0.00 -1.58 0.00 0.00 42.46 36.34 1h1n s ILE 238 CO 0.00 -1.22 1.54 0.61 -1.23 0.00 0.00 174.94 174.64 1h1n n GLY 239 N 5.21 -1.37 3.16 6.18 0.00 0.42 -0.42 105.19 118.37 1h1n n GLY 239 Ca -0.01 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1h1n n GLY 239 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h1n s GLU 240 N -3.04 0.31 0.14 1.61 2.02 -1.19 -4.54 118.70 114.00 1h1n s GLU 240 Ca 0.11 0.51 -0.20 0.00 0.02 0.00 0.00 54.97 55.40 1h1n s GLU 240 Cb 0.17 0.05 0.06 0.00 0.10 0.00 0.00 34.13 34.50 1h1n s GLU 240 CO 0.66 -0.10 0.52 -0.59 0.02 0.00 0.00 175.26 175.77 1h1n s PHE 241 N 0.69 -0.40 0.05 1.61 -0.71 -1.04 -1.01 117.98 117.16 1h1n s PHE 241 Ca -0.04 0.17 -0.27 0.00 -1.04 0.00 0.00 56.93 55.74 1h1n s PHE 241 Cb -0.06 0.43 0.09 0.00 -1.21 0.00 0.00 43.02 42.27 1h1n s PHE 241 CO -0.04 -0.78 0.91 0.00 -1.34 0.00 0.00 175.22 173.97 1h1n s ALA 242 N -3.67 -1.77 0.07 1.99 0.00 -1.26 -0.84 121.76 116.30 1h1n s ALA 242 Ca 0.01 0.71 -0.18 0.00 0.00 0.00 0.00 51.96 52.50 1h1n s ALA 242 Cb 0.00 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.66 1h1n s ALA 242 CO -0.12 -0.81 0.43 0.20 0.00 0.00 0.00 175.76 175.47 1h1n s GLY 243 N -2.64 -0.31 0.89 0.00 0.00 -1.26 -4.17 107.32 99.84 1h1n s GLY 243 Ca 0.07 0.24 -0.11 0.00 0.00 0.00 0.00 44.72 44.93 1h1n s GLY 243 CO -0.06 -0.02 1.11 -0.32 0.00 0.00 0.00 173.10 173.81 1h1n s GLY 244 N -2.27 1.66 -1.38 0.20 0.00 -1.11 -4.87 107.32 99.55 1h1n s GLY 244 Ca -0.02 0.31 -0.16 0.00 0.00 0.00 0.00 44.72 44.84 1h1n s GLY 244 CO -0.06 0.75 1.98 0.00 0.00 0.00 0.00 173.10 175.76 1h1n n ALA 245 N -4.03 4.57 -2.95 3.20 0.00 -1.26 -4.30 120.51 115.73 1h1n n ALA 245 Ca 0.09 -3.88 -0.10 0.00 0.00 0.00 0.00 53.44 49.55 1h1n n ALA 245 Cb 0.53 -3.55 -0.05 0.00 0.00 0.00 0.00 19.45 16.38 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 3.63 -0.10 0.15 0.00 1.47 -1.26 -5.06 116.67 115.50 1h1n s ASP 246 Ca 0.50 -0.63 -0.12 0.00 1.18 0.00 0.00 52.55 53.48 1h1n s ASP 246 Cb 0.09 0.48 0.02 0.00 -0.34 0.00 0.00 42.92 43.17 1h1n s ASP 246 CO -0.01 -0.93 1.59 0.78 0.68 0.00 0.00 175.17 177.29 1h1n h ASN 247 N 2.41 0.91 -0.35 2.11 2.35 -1.99 -0.35 115.58 120.67 1h1n h ASN 247 Ca -0.31 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.11 1h1n h ASN 247 Cb 1.24 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 1h1n h ASN 247 CO 0.45 1.02 0.19 0.58 -1.65 0.00 0.00 177.43 178.02 1h1n h VAL 248 N 0.78 1.14 -0.42 2.81 2.07 -1.95 -0.64 116.25 120.03 1h1n h VAL 248 Ca 0.14 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 1h1n h VAL 248 Cb 0.58 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1h1n h VAL 248 CO 0.03 0.14 -0.21 0.00 0.02 0.00 0.00 177.57 177.56 1h1n h GLU 250 N 0.73 1.18 -0.52 0.00 5.08 -0.82 0.83 114.58 121.05 1h1n h GLU 250 Ca 0.10 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1h1n h GLU 250 Cb 0.73 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1h1n h GLU 250 CO 0.06 0.97 0.04 1.15 -1.00 0.00 0.00 179.01 180.23 1h1n h THR 251 N 1.14 1.26 -0.88 1.13 2.02 -0.89 -1.72 112.91 114.97 1h1n h THR 251 Ca 0.25 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 1h1n h THR 251 Cb 0.26 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1h1n h THR 251 CO -0.02 0.36 0.48 0.00 0.37 0.00 0.00 175.52 176.71 1h1n h ALA 252 N 0.96 1.18 0.03 6.16 0.00 -0.65 0.48 119.26 127.42 1h1n h ALA 252 Ca 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1h1n h ALA 252 Cb 0.46 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1h1n h ALA 252 CO 0.02 0.65 -0.01 0.82 0.00 0.00 0.00 179.25 180.73 1h1n h ILE 253 N 1.23 1.08 -0.14 0.00 2.04 -0.62 -1.16 117.51 119.94 1h1n h ILE 253 Ca 0.31 -0.32 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 1h1n h ILE 253 Cb 0.03 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1h1n h ILE 253 CO -0.05 0.08 -0.45 0.00 0.00 0.00 0.00 178.15 177.73 1h1n h THR 254 N -0.18 1.32 -0.83 -0.27 1.03 -1.18 -1.36 112.91 111.45 1h1n h THR 254 Ca -0.00 -1.63 -0.00 0.00 -0.01 0.00 0.00 66.41 64.76 1h1n h THR 254 Cb 0.16 1.71 -0.04 0.00 -1.07 0.00 0.00 68.15 68.92 1h1n h THR 254 CO 0.01 0.49 0.50 1.23 -0.01 0.00 0.00 175.52 177.74 1h1n h GLY 255 N 1.22 1.20 0.86 2.99 0.00 -0.77 0.14 103.07 108.70 1h1n h GLY 255 Ca 0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1h1n h GLY 255 CO 0.07 0.48 0.04 1.98 0.00 0.00 0.00 176.54 179.12 1h1n h MET 256 N 1.13 0.19 -0.32 4.80 -1.53 -0.84 -1.66 114.93 116.71 1h1n h MET 256 Ca 0.30 -0.04 -0.09 0.00 -3.44 0.00 0.00 59.70 56.42 1h1n h MET 256 Cb -0.05 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 30.96 1h1n h MET 256 CO -0.06 0.32 -0.20 -0.07 0.14 0.00 0.00 176.91 177.04 1h1n h LEU 257 N 0.03 0.59 -0.81 3.39 3.38 -1.09 -0.81 115.31 120.00 1h1n h LEU 257 Ca 0.04 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1h1n h LEU 257 Cb 0.20 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1h1n h LEU 257 CO -0.00 0.79 -0.16 0.44 0.09 0.00 0.00 178.44 179.60 1h1n h ASP 258 N 0.53 0.72 -0.21 -0.43 3.32 -0.64 0.53 116.42 120.24 1h1n h ASP 258 Ca 0.08 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1h1n h ASP 258 Cb 0.64 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1h1n h ASP 258 CO 0.05 0.89 0.04 0.22 -1.72 0.00 0.00 179.24 178.72 1h1n h TYR 259 N 0.65 0.35 -0.92 4.55 3.20 -0.90 -2.78 116.97 121.12 1h1n h TYR 259 Ca 0.10 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.98 1h1n h TYR 259 Cb 0.63 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 1h1n h TYR 259 CO 0.03 0.46 0.60 0.52 -1.64 0.00 0.00 178.16 178.13 1h1n h MET 260 N 0.14 1.05 0.00 1.82 2.86 -0.77 -1.86 114.93 118.18 1h1n h MET 260 Ca 0.06 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1h1n h MET 260 Cb 0.29 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1h1n h MET 260 CO 0.00 0.69 -0.11 0.00 1.06 0.00 0.00 176.91 178.56 1h1n h ALA 261 N 1.49 1.20 -0.26 6.32 0.00 -0.66 -0.29 119.26 127.06 1h1n h ALA 261 Ca 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1h1n h ALA 261 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1h1n h ALA 261 CO -0.14 0.13 0.00 1.04 0.00 0.00 0.00 179.25 180.28 1h1n n GLN 262 N -3.50 1.97 -2.57 0.00 1.13 -0.72 -4.22 117.38 109.46 1h1n n GLN 262 Ca -0.01 -1.46 -0.10 0.00 -1.94 0.00 0.00 57.00 53.49 1h1n n GLN 262 Cb 0.25 -1.42 0.04 0.00 0.11 0.00 0.00 30.24 29.22 1h1n n GLN 262 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1h1n n ASN 263 N 0.68 2.68 0.00 1.08 4.13 -0.13 -4.86 115.26 118.83 1h1n n ASN 263 Ca 0.17 -2.71 0.12 0.00 1.68 0.00 0.00 54.58 53.84 1h1n n ASN 263 Cb 0.41 -0.45 0.61 0.00 -1.54 0.00 0.00 39.78 38.80 1h1n n ASN 263 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1h1n n THR 264 N -0.54 0.23 0.27 3.41 -2.24 -1.13 -1.26 114.28 113.02 1h1n n THR 264 Ca 0.20 0.06 0.10 0.00 -2.27 0.00 0.00 64.05 62.14 1h1n n THR 264 Cb 0.84 -0.64 0.73 0.00 -2.10 0.00 0.00 70.33 69.15 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 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 1h1n h ASP 265 Cb 0.28 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.77 1h1n h ASP 265 CO 0.00 0.03 -1.18 1.33 -1.03 0.00 0.00 179.24 178.39 1h1n n VAL 266 N -4.20 0.18 -3.26 4.15 0.24 -0.87 -4.88 118.33 109.70 1h1n n VAL 266 Ca -0.03 -0.11 -0.40 0.00 -2.04 0.00 0.00 64.34 61.76 1h1n n VAL 266 Cb 0.12 -0.90 -0.08 0.00 -1.47 0.00 0.00 33.84 31.51 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 -2.06 3.25 -0.88 6.34 0.52 -0.39 -0.28 118.94 125.44 1h1n s TRP 267 Ca -0.02 0.55 0.26 0.00 0.02 0.00 0.00 56.10 56.91 1h1n s TRP 267 Cb 0.01 -2.72 0.71 0.00 -1.15 0.00 0.00 33.47 30.31 1h1n s TRP 267 CO 0.11 -0.30 1.58 0.25 0.02 0.00 0.00 176.95 178.60 1h1n n THR 268 N 5.19 0.16 -0.48 2.01 -2.24 -0.14 -4.43 114.28 114.35 1h1n n THR 268 Ca -0.05 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1h1n n THR 268 Cb 0.50 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 1.44 0.80 3.37 3.38 0.00 -1.26 -1.31 105.19 111.62 1h1n n GLY 269 Ca 0.05 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.23 -0.11 4.61 0.00 -0.96 -1.76 121.76 121.31 1h1n s ALA 270 Ca 0.00 0.69 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 1h1n s ALA 270 Cb 0.00 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.31 1h1n s ALA 270 CO 0.00 -0.37 0.01 0.42 0.00 0.00 0.00 175.76 175.82 1h1n s ILE 271 N -1.66 0.45 0.48 0.00 1.01 0.45 -1.66 121.20 120.26 1h1n s ILE 271 Ca -0.10 -0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.22 1h1n s ILE 271 Cb -0.02 -0.71 -0.07 0.00 0.01 0.00 0.00 42.46 41.67 1h1n s ILE 271 CO 0.04 0.12 1.20 0.86 0.00 0.00 0.00 174.94 177.16 1h1n s TRP 272 N 1.93 2.76 -0.30 3.97 -0.11 -0.26 -2.50 118.94 124.43 1h1n s TRP 272 Ca 0.03 1.51 -0.06 0.00 1.22 0.00 0.00 56.10 58.80 1h1n s TRP 272 Cb -0.14 -3.45 0.02 0.00 -1.50 0.00 0.00 33.47 28.40 1h1n s TRP 272 CO -0.06 -1.76 0.06 -0.46 -4.62 0.00 0.00 176.95 170.11 1h1n s TRP 273 N -1.51 3.17 0.08 5.86 -0.11 -0.02 -0.50 118.94 125.92 1h1n s TRP 273 Ca 0.65 -1.23 -0.25 0.00 1.22 0.00 0.00 56.10 56.49 1h1n s TRP 273 Cb -0.31 -2.22 0.06 0.00 -1.50 0.00 0.00 33.47 29.51 1h1n s TRP 273 CO 0.37 -0.65 0.60 0.00 -4.62 0.00 0.00 176.95 172.64 1h1n s ALA 274 N 1.43 -1.56 0.47 5.86 0.00 -1.14 -4.63 121.76 122.20 1h1n s ALA 274 Ca 0.01 0.71 0.08 0.00 0.00 0.00 0.00 51.96 52.76 1h1n s ALA 274 Cb -0.18 0.54 0.08 0.00 0.00 0.00 0.00 23.12 23.56 1h1n s ALA 274 CO 0.01 -0.60 0.64 0.00 0.00 0.00 0.00 175.76 175.81 1h1n n ALA 275 N 0.13 0.99 0.00 0.00 0.00 0.70 -0.70 120.51 121.64 1h1n n ALA 275 Ca -0.18 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.55 1h1n n ALA 275 Cb 0.62 0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.54 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 -0.74 3.88 0.02 0.00 0.00 -1.26 -0.84 105.19 106.25 1h1n n GLY 276 Ca 0.13 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.65 0.13 -0.60 1.61 -0.05 -1.26 -4.18 135.00 129.00 1h1n n PRO 277 Ca 0.00 -0.05 0.03 0.00 -0.05 0.00 0.00 63.50 63.43 1h1n n PRO 277 Cb 0.00 -1.50 0.20 0.00 -0.05 0.00 0.00 33.50 32.15 1h1n n PRO 277 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 175.50 176.36 1h1n n TRP 278 N -1.39 0.48 0.06 0.54 7.02 -1.26 -4.65 117.44 118.24 1h1n n TRP 278 Ca 0.08 -1.44 0.08 0.00 -1.02 0.00 0.00 57.50 55.21 1h1n n TRP 278 Cb 0.33 -0.34 -0.06 0.00 -2.42 0.00 0.00 31.31 28.82 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 -1.12 0.75 0.00 -5.99 5.03 -1.26 -5.01 117.44 109.84 1h1n n TRP 279 Ca 0.24 0.23 0.00 0.00 3.03 0.00 0.00 57.50 61.00 1h1n n TRP 279 Cb 0.83 -0.90 0.00 0.00 -1.03 0.00 0.00 31.31 30.21 1h1n n TRP 279 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1h1n n GLY 280 N 1.26 3.33 0.64 6.99 0.00 -1.26 -0.98 105.19 115.17 1h1n n GLY 280 Ca -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1h1n n GLY 280 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h1n n ASP 281 N 4.19 1.62 -4.62 1.61 5.68 -1.26 -4.79 116.55 118.97 1h1n n ASP 281 Ca 0.00 -2.13 -0.46 0.00 -0.50 0.00 0.00 54.79 51.70 1h1n n ASP 281 Cb 0.00 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 39.52 1h1n n ASP 281 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h1n n TYR 282 N 0.07 1.64 0.29 2.11 9.36 -0.15 -4.84 117.16 125.63 1h1n n TYR 282 Ca 0.05 0.60 0.17 0.00 3.32 0.00 0.00 57.90 62.04 1h1n n TYR 282 Cb 0.35 -2.34 0.95 0.00 -0.63 0.00 0.00 39.34 37.68 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 2.57 0.40 -0.20 2.97 3.07 -1.92 -2.21 117.51 122.20 1h1n h ILE 283 Ca -0.43 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1h1n h ILE 283 Cb 1.32 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 1h1n h ILE 283 CO 0.68 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.27 1h1n n PHE 284 N -3.66 0.65 -2.29 0.16 3.72 -1.26 -4.52 117.46 110.25 1h1n n PHE 284 Ca -0.02 -0.86 -0.43 0.00 -0.05 0.00 0.00 57.45 56.10 1h1n n PHE 284 Cb 0.15 -0.24 -0.02 0.00 -0.94 0.00 0.00 39.48 38.42 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 -2.04 6.87 -0.07 4.37 0.15 -0.83 -2.88 113.70 119.27 1h1n s SER 285 Ca 0.37 1.90 0.16 0.00 0.70 0.00 0.00 55.95 59.07 1h1n s SER 285 Cb 0.30 -2.54 0.59 0.00 -1.71 0.00 0.00 66.02 62.65 1h1n s SER 285 CO 0.08 -0.78 1.48 0.80 1.20 0.00 0.00 173.24 176.01 1h1n n MET 286 N 6.46 3.07 -2.45 5.44 1.56 0.13 -0.09 117.12 131.24 1h1n n MET 286 Ca 0.14 -2.35 -0.43 0.00 -0.27 0.00 0.00 57.70 54.80 1h1n n MET 286 Cb 0.44 -1.71 -0.02 0.00 2.15 0.00 0.00 33.22 34.08 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 -1.64 4.24 0.69 2.12 2.56 -1.26 -4.48 118.70 120.93 1h1n s GLU 287 Ca 0.42 1.64 -0.16 0.00 0.00 0.00 0.00 54.97 56.87 1h1n s GLU 287 Cb 0.26 -3.74 0.02 0.00 2.00 0.00 0.00 34.13 32.67 1h1n s GLU 287 CO 0.23 -0.68 1.25 -2.14 -0.56 0.00 0.00 175.26 173.35 1h1n s PRO 288 N 3.38 2.33 0.00 4.30 0.02 -1.26 -1.16 135.00 142.61 1h1n s PRO 288 Ca 0.54 1.90 0.23 0.00 0.02 0.00 0.00 61.00 63.69 1h1n s PRO 288 Cb -0.21 -1.84 0.10 0.00 0.02 0.00 0.00 34.50 32.57 1h1n s PRO 288 CO 0.14 -1.72 1.14 -0.25 -0.33 0.00 0.00 177.00 175.98 1h1n n ASP 289 N -2.33 1.43 0.00 2.53 8.00 -1.26 -4.77 116.55 120.15 1h1n n ASP 289 Ca 0.15 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1h1n n ASP 289 Cb 0.49 0.55 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 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 -0.68 1.14 -4.73 -2.24 3.02 -1.19 -4.77 115.26 105.80 1h1n n ASN 290 Ca 0.08 -1.33 -0.41 0.00 -0.03 0.00 0.00 54.58 52.89 1h1n n ASN 290 Cb 0.40 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.58 1h1n n ASN 290 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h1n n GLY 291 N -0.16 0.82 0.27 7.41 0.00 -0.30 -4.85 105.19 108.38 1h1n n GLY 291 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 1h1n n GLY 291 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1h1n h ILE 292 N 2.38 1.22 -0.13 -0.61 2.10 -1.72 -0.98 117.51 119.78 1h1n h ILE 292 Ca -0.49 -0.92 -0.17 0.00 1.08 0.00 0.00 64.86 64.35 1h1n h ILE 292 Cb 1.27 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 37.95 1h1n h ILE 292 CO 0.61 0.32 -0.64 0.00 -1.08 0.00 0.00 178.15 177.36 1h1n h ALA 293 N 1.38 0.65 -0.94 0.18 0.00 -0.73 0.75 119.26 120.56 1h1n h ALA 293 Ca 0.12 -0.56 0.07 0.00 0.00 0.00 0.00 54.91 54.54 1h1n h ALA 293 Cb 0.41 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1h1n h ALA 293 CO 0.02 0.72 0.59 -0.92 0.00 0.00 0.00 179.25 179.66 1h1n h TYR 294 N 0.34 1.10 0.01 0.00 3.20 -0.55 0.73 116.97 121.80 1h1n h TYR 294 Ca -0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1h1n h TYR 294 Cb 1.20 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1h1n h TYR 294 CO 0.04 0.55 -0.17 1.96 -1.64 0.00 0.00 178.16 178.91 1h1n h GLN 295 N 1.07 0.10 0.00 1.82 1.08 -1.01 -3.34 115.11 114.83 1h1n h GLN 295 Ca 0.41 -0.12 -0.29 0.00 -1.45 0.00 0.00 58.65 57.20 1h1n h GLN 295 Cb 0.19 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.60 1h1n h GLN 295 CO -0.18 0.93 -2.18 1.04 -0.95 0.00 0.00 178.83 177.49 1h1n n GLN 296 N -4.56 1.07 -0.04 1.46 6.02 0.24 -4.54 117.38 117.04 1h1n n GLN 296 Ca -0.10 -0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 56.65 1h1n n GLN 296 Cb 0.49 -1.45 -0.13 0.00 1.02 0.00 0.00 30.24 30.17 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 -2.61 1.69 -0.32 5.09 2.08 0.05 -4.44 119.36 120.90 1h1n n ILE 297 Ca -0.26 -0.53 0.20 0.00 0.56 0.00 0.00 62.75 62.72 1h1n n ILE 297 Cb 1.02 -1.75 0.46 0.00 -0.75 0.00 0.00 39.64 38.62 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 -0.17 0.53 -1.96 1.39 5.85 -1.13 0.31 115.31 120.12 1h1n h LEU 298 Ca -0.45 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.41 1h1n h LEU 298 Cb 1.87 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 1h1n h LEU 298 CO -0.01 0.14 0.16 -0.65 -0.34 0.00 0.00 178.44 177.74 1h1n h PRO 299 N 0.49 0.04 -0.00 5.25 0.11 -1.80 0.17 132.00 136.25 1h1n h PRO 299 Ca 0.58 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1h1n h PRO 299 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1h1n h PRO 299 CO -0.31 0.03 -0.34 0.44 -0.21 0.00 0.00 178.00 177.61 1h1n n ILE 300 N -4.48 0.00 -0.02 4.15 -5.35 0.11 -3.83 119.36 109.94 1h1n n ILE 300 Ca 0.02 -0.02 -0.04 0.00 -0.27 0.00 0.00 62.75 62.45 1h1n n ILE 300 Cb 0.28 0.07 -0.13 0.00 -1.74 0.00 0.00 39.64 38.12 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 -1.38 0.52 0.15 7.28 4.77 0.44 -4.41 117.00 124.37 1h1n n LEU 301 Ca 0.07 0.23 0.17 0.00 -0.03 0.00 0.00 56.01 56.45 1h1n n LEU 301 Cb 0.33 0.21 0.76 0.00 -2.33 0.00 0.00 43.42 42.39 1h1n n LEU 301 CO 0.31 0.29 1.15 0.71 -1.33 0.00 0.00 177.39 178.52 1h1n h THR 302 N 0.00 0.62 -0.03 -5.08 1.35 -1.26 -0.94 112.91 107.57 1h1n h THR 302 Ca -0.29 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.58 1h1n h THR 302 Cb 1.82 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1h1n h THR 302 CO 0.04 0.00 0.22 -0.65 -0.25 0.00 0.00 175.52 174.89 1h1n h PRO 303 N 0.00 0.00 -0.00 4.72 0.11 -1.79 -1.59 132.00 133.44 1h1n h PRO 303 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1h1n h PRO 303 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1h1n h PRO 303 CO -0.00 0.00 -0.50 0.66 -0.21 0.00 0.00 178.00 177.95 1h1n n TYR 304 N -3.07 0.00 1.07 0.65 4.02 -0.36 -4.85 117.16 114.62 1h1n n TYR 304 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.00 1h1n n TYR 304 Cb 0.29 -0.18 0.16 0.00 -0.02 0.00 0.00 39.34 39.59 1h1n n TYR 304 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13