#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1d s ASP 41 N 0.00 7.14 -0.09 -3.46 1.11 -1.26 -0.12 116.67 119.99 2h1d s ASP 41 Ca 0.00 1.99 -0.30 0.00 0.18 0.00 0.00 52.55 54.42 2h1d s ASP 41 Cb 0.00 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.38 2h1d s ASP 41 CO 0.00 -0.40 1.27 0.00 1.18 0.00 0.00 175.17 177.22 2h1d s ALA 42 N 0.83 3.58 -0.10 5.23 0.00 -1.02 -4.85 121.76 125.43 2h1d s ALA 42 Ca 0.56 0.60 -0.38 0.00 0.00 0.00 0.00 51.96 52.75 2h1d s ALA 42 Cb -0.28 -3.58 -0.15 0.00 0.00 0.00 0.00 23.12 19.10 2h1d s ALA 42 CO 0.30 -0.98 1.62 -2.30 0.00 0.00 0.00 175.76 174.40 2h1d n PRO 43 N 5.88 1.37 -1.64 0.00 -0.02 -1.26 -4.94 135.00 134.39 2h1d n PRO 43 Ca 0.13 0.50 -0.32 0.00 -2.02 0.00 0.00 63.50 61.79 2h1d n PRO 43 Cb 0.45 -2.20 0.05 0.00 -0.02 0.00 0.00 33.50 31.79 2h1d n PRO 43 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2h1d s ASN 44 N 2.41 5.16 0.16 2.55 2.47 -1.26 -5.00 114.94 121.43 2h1d s ASN 44 Ca 0.92 1.81 -0.23 0.00 0.42 0.00 0.00 52.86 55.78 2h1d s ASN 44 Cb -0.95 -2.52 0.07 0.00 -1.45 0.00 0.00 41.25 36.39 2h1d s ASN 44 CO 0.55 -1.59 0.64 0.72 -3.72 0.00 0.00 177.10 173.70 2h1d s PHE 45 N -2.70 -0.48 -0.08 0.43 -0.12 -1.26 -5.00 117.98 108.77 2h1d s PHE 45 Ca 0.62 0.24 0.03 0.00 -0.05 0.00 0.00 56.93 57.78 2h1d s PHE 45 Cb -0.17 0.58 0.01 0.00 -0.63 0.00 0.00 43.02 42.81 2h1d s PHE 45 CO 0.48 -0.88 -0.18 0.08 -0.05 0.00 0.00 175.22 174.67 2h1d s VAL 46 N -3.73 1.59 0.14 -2.49 1.01 -1.26 -1.94 120.40 113.72 2h1d s VAL 46 Ca 0.03 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2h1d s VAL 46 Cb -0.02 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2h1d s VAL 46 CO -0.10 0.46 0.17 -0.76 0.00 0.00 0.00 175.10 174.87 2h1d s LEU 47 N 0.47 1.39 -0.14 3.92 1.43 -0.37 -4.97 118.68 120.40 2h1d s LEU 47 Ca -0.16 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 51.85 2h1d s LEU 47 Cb -0.17 0.78 -0.05 0.00 0.03 0.00 0.00 46.19 46.79 2h1d s LEU 47 CO 0.06 -0.80 0.21 -1.61 0.23 0.00 0.00 176.35 174.44 2h1d s GLU 48 N -3.99 3.94 1.06 1.70 2.02 -1.26 -0.38 118.70 121.79 2h1d s GLU 48 Ca 0.18 -0.03 -0.16 0.00 0.02 0.00 0.00 54.97 54.98 2h1d s GLU 48 Cb 0.05 -3.33 0.22 0.00 0.10 0.00 0.00 34.13 31.18 2h1d s GLU 48 CO -0.01 0.48 1.17 0.16 0.02 0.00 0.00 175.26 177.09 2h1d s ASP 49 N -0.22 2.21 0.00 -0.19 -4.77 0.17 -2.11 116.67 111.77 2h1d s ASP 49 Ca 0.14 0.64 0.15 0.00 -3.30 0.00 0.00 52.55 50.18 2h1d s ASP 49 Cb -0.13 -0.92 0.86 0.00 -1.09 0.00 0.00 42.92 41.65 2h1d s ASP 49 CO 0.03 -3.32 1.34 0.35 0.70 0.00 0.00 175.17 174.27 2h1d n THR 50 N -4.23 0.14 -0.39 2.11 -2.24 -0.72 -1.86 114.28 107.10 2h1d n THR 50 Ca 0.12 0.04 0.08 0.00 -2.27 0.00 0.00 64.05 62.01 2h1d n THR 50 Cb 0.59 -0.80 0.23 0.00 -2.10 0.00 0.00 70.33 68.26 2h1d n THR 50 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2h1d n ASN 51 N -1.07 3.55 0.00 3.42 4.13 -1.26 -4.98 115.26 119.05 2h1d n ASN 51 Ca 0.10 -2.20 0.00 0.00 1.68 0.00 0.00 54.58 54.16 2h1d n ASN 51 Cb 0.07 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 2h1d n ASN 51 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2h1d n GLY 52 N 0.70 0.94 3.71 7.41 0.00 -0.78 -5.02 105.19 112.15 2h1d n GLY 52 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2h1d n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h1d s LYS 53 N -0.36 4.53 -0.19 1.61 2.20 -1.26 -4.73 119.74 121.54 2h1d s LYS 53 Ca 0.00 1.26 -0.29 0.00 -0.36 0.00 0.00 55.97 56.57 2h1d s LYS 53 Cb 0.00 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.85 2h1d s LYS 53 CO 0.00 0.01 1.47 0.50 -0.36 0.00 0.00 175.35 176.97 2h1d s ARG 54 N 0.84 4.02 -0.16 4.03 3.52 -1.26 -0.65 118.95 129.28 2h1d s ARG 54 Ca 0.47 1.70 0.00 0.00 -0.13 0.00 0.00 55.73 57.77 2h1d s ARG 54 Cb -0.20 -3.92 0.00 0.00 -1.56 0.00 0.00 34.95 29.27 2h1d s ARG 54 CO 0.25 -1.01 -0.16 0.42 -0.81 0.00 0.00 175.30 174.00 2h1d s ILE 55 N 4.34 2.56 -0.09 4.11 1.01 0.48 -4.97 121.20 128.66 2h1d s ILE 55 Ca 0.64 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2h1d s ILE 55 Cb -0.24 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 2h1d s ILE 55 CO 0.24 0.51 -0.16 -0.70 0.00 0.00 0.00 174.94 174.83 2h1d s GLU 56 N 0.94 2.89 0.22 2.79 2.12 -1.26 -1.24 118.70 125.16 2h1d s GLU 56 Ca -0.03 -0.74 -0.07 0.00 0.36 0.00 0.00 54.97 54.48 2h1d s GLU 56 Cb -0.15 -2.43 0.18 0.00 0.26 0.00 0.00 34.13 31.98 2h1d s GLU 56 CO -0.02 0.39 1.80 1.25 -0.54 0.00 0.00 175.26 178.14 2h1d h LEU 57 N 6.09 1.11 -1.34 2.70 5.85 -1.78 -2.16 115.31 125.78 2h1d h LEU 57 Ca -0.34 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 2h1d h LEU 57 Cb 1.19 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 2h1d h LEU 57 CO 0.52 0.96 -0.12 0.77 -0.34 0.00 0.00 178.44 180.23 2h1d h SER 58 N 1.19 0.28 -0.56 1.25 4.64 -1.96 -0.64 113.55 117.75 2h1d h SER 58 Ca 0.28 -0.06 0.16 0.00 -0.47 0.00 0.00 61.79 61.70 2h1d h SER 58 Cb 0.17 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2h1d h SER 58 CO -0.03 0.43 0.95 0.44 -0.87 0.00 0.00 176.83 177.76 2h1d h ASP 59 N 0.28 0.00 -0.56 4.97 3.32 -1.79 -1.42 116.42 121.22 2h1d h ASP 59 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2h1d h ASP 59 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2h1d h ASP 59 CO 0.02 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 2h1d n LEU 60 N -3.08 5.47 -4.77 1.55 4.77 -0.25 -4.96 117.00 115.72 2h1d n LEU 60 Ca 0.12 -2.88 -0.41 0.00 -0.03 0.00 0.00 56.01 52.82 2h1d n LEU 60 Cb 1.14 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2h1d n LEU 60 CO 0.17 0.66 1.10 -0.54 -1.33 0.00 0.00 177.39 177.45 2h1d s LYS 61 N -2.66 3.98 0.00 3.23 1.02 -0.54 -2.08 119.74 122.69 2h1d s LYS 61 Ca 0.53 2.49 0.00 0.00 0.02 0.00 0.00 55.97 59.02 2h1d s LYS 61 Cb 0.40 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 2h1d s LYS 61 CO 0.16 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 2h1d n GLY 62 N 0.52 3.36 3.63 -3.33 0.00 -0.53 -5.04 105.19 103.80 2h1d n GLY 62 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2h1d n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1d s LYS 63 N -0.74 2.32 0.30 1.61 1.02 -0.88 -4.76 119.74 118.60 2h1d s LYS 63 Ca 0.00 -0.99 -0.28 0.00 0.02 0.00 0.00 55.97 54.72 2h1d s LYS 63 Cb 0.00 -2.39 -0.09 0.00 -0.52 0.00 0.00 37.83 34.83 2h1d s LYS 63 CO 0.00 0.50 1.01 0.20 -0.92 0.00 0.00 175.35 176.15 2h1d s GLY 64 N -2.44 2.96 -0.15 -3.33 0.00 -0.69 -3.84 107.32 99.84 2h1d s GLY 64 Ca 0.24 0.71 0.01 0.00 0.00 0.00 0.00 44.72 45.68 2h1d s GLY 64 CO 0.16 1.23 -0.17 0.14 0.00 0.00 0.00 173.10 174.47 2h1d s VAL 65 N -1.36 1.73 -0.67 1.40 1.01 0.45 -0.00 120.40 122.97 2h1d s VAL 65 Ca 0.47 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 2h1d s VAL 65 Cb -0.26 -1.59 0.14 0.00 0.00 0.00 0.00 36.38 34.68 2h1d s VAL 65 CO 0.32 0.49 0.71 0.12 0.00 0.00 0.00 175.10 176.74 2h1d s PHE 66 N 1.25 3.26 -0.50 5.22 2.19 0.16 -1.25 117.98 128.32 2h1d s PHE 66 Ca 0.01 -1.35 -0.15 0.00 0.33 0.00 0.00 56.93 55.77 2h1d s PHE 66 Cb -0.14 -3.94 0.10 0.00 -1.31 0.00 0.00 43.02 37.73 2h1d s PHE 66 CO -0.08 -1.17 0.43 -1.17 1.83 0.00 0.00 175.22 175.06 2h1d s LEU 67 N 1.79 5.83 -0.22 6.12 2.96 -0.39 -1.15 118.68 133.61 2h1d s LEU 67 Ca 0.13 -1.51 -0.05 0.00 -0.22 0.00 0.00 54.13 52.48 2h1d s LEU 67 Cb -0.20 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 2h1d s LEU 67 CO -0.00 -0.73 0.00 0.21 -1.32 0.00 0.00 176.35 174.52 2h1d s ASN 68 N 2.97 4.73 -0.17 3.68 3.84 -0.40 0.20 114.94 129.79 2h1d s ASN 68 Ca 0.04 -0.26 -0.14 0.00 0.21 0.00 0.00 52.86 52.70 2h1d s ASN 68 Cb -0.26 -1.82 -0.04 0.00 -0.55 0.00 0.00 41.25 38.57 2h1d s ASN 68 CO 0.05 0.02 0.31 -0.36 -2.79 0.00 0.00 177.10 174.33 2h1d s PHE 69 N 1.29 3.44 0.25 0.43 0.40 0.46 0.15 117.98 124.39 2h1d s PHE 69 Ca 0.04 0.58 -0.14 0.00 -0.60 0.00 0.00 56.93 56.81 2h1d s PHE 69 Cb -0.15 -2.38 0.00 0.00 0.51 0.00 0.00 43.02 41.01 2h1d s PHE 69 CO 0.01 0.18 0.52 1.67 0.70 0.00 0.00 175.22 178.30 2h1d s TRP 70 N 0.67 0.24 0.08 0.36 1.48 -0.64 -2.18 118.94 118.95 2h1d s TRP 70 Ca 0.17 -0.62 -0.11 0.00 -1.06 0.00 0.00 56.10 54.47 2h1d s TRP 70 Cb -0.13 0.29 0.01 0.00 -1.16 0.00 0.00 33.47 32.48 2h1d s TRP 70 CO 0.05 -1.03 0.26 0.20 -4.06 0.00 0.00 176.95 172.36 2h1d s GLY 71 N -2.99 -0.04 0.40 3.67 0.00 -1.26 -1.13 107.32 105.97 2h1d s GLY 71 Ca 0.20 -0.31 0.27 0.00 0.00 0.00 0.00 44.72 44.87 2h1d s GLY 71 CO 0.08 -0.52 1.82 -0.91 0.00 0.00 0.00 173.10 173.57 2h1d h THR 72 N 2.90 0.00 -0.01 0.90 1.35 -1.96 -2.11 112.91 113.99 2h1d h THR 72 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2h1d h THR 72 Cb 1.21 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2h1d h THR 72 CO 0.51 0.00 -0.03 -2.67 -0.25 0.00 0.00 175.52 173.08 2h1d n TRP 73 N -2.44 0.00 -3.10 4.73 2.14 -1.26 -4.79 117.44 112.72 2h1d n TRP 73 Ca -0.02 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.12 2h1d n TRP 73 Cb 0.04 -0.04 -0.07 0.00 -0.81 0.00 0.00 31.31 30.44 2h1d n TRP 73 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2h1d h GLU 75 N 8.86 0.94 -0.75 0.00 4.39 -1.90 -0.40 114.58 125.74 2h1d h GLU 75 Ca -0.25 -0.12 0.19 0.00 0.34 0.00 0.00 59.36 59.51 2h1d h GLU 75 Cb 1.10 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.53 2h1d h GLU 75 CO 0.89 0.72 0.52 -1.35 -1.16 0.00 0.00 179.01 178.63 2h1d h PRO 76 N 0.94 0.18 0.00 2.33 0.11 -1.95 -1.20 132.00 132.41 2h1d h PRO 76 Ca 0.23 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.29 2h1d h PRO 76 Cb 0.09 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2h1d h PRO 76 CO -0.03 0.12 -0.22 0.00 -0.21 0.00 0.00 178.00 177.66 2h1d h LYS 78 N 0.00 0.00 0.16 0.00 1.57 -1.21 -1.07 116.57 116.01 2h1d h LYS 78 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 2h1d h LYS 78 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2h1d h LYS 78 CO 0.03 0.31 -1.79 -0.22 -0.57 0.00 0.00 179.45 177.21 2h1d h LYS 79 N 0.00 0.34 0.05 3.15 3.64 -1.07 -3.42 116.57 119.26 2h1d h LYS 79 Ca -0.00 -0.58 -0.26 0.00 -1.27 0.00 0.00 60.65 58.54 2h1d h LYS 79 Cb 0.64 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 2h1d h LYS 79 CO 0.04 1.28 -1.35 0.93 -2.27 0.00 0.00 179.45 178.08 2h1d h GLU 80 N 0.04 0.10 -0.28 1.90 5.08 -0.72 -3.29 114.58 117.40 2h1d h GLU 80 Ca -0.37 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 2h1d h GLU 80 Cb 2.04 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.33 2h1d h GLU 80 CO 0.13 0.94 0.18 0.74 -1.00 0.00 0.00 179.01 180.00 2h1d h PHE 81 N 0.03 0.33 -1.00 4.33 -1.00 -1.44 -1.06 116.94 117.13 2h1d h PHE 81 Ca -0.16 0.01 0.17 0.00 2.81 0.00 0.00 57.97 60.80 2h1d h PHE 81 Cb 1.92 -0.11 -0.10 0.00 3.61 0.00 0.00 35.95 41.27 2h1d h PHE 81 CO 0.02 0.20 0.62 -1.35 -1.61 0.00 0.00 178.31 176.20 2h1d h PRO 82 N 0.36 0.81 -0.38 1.51 0.11 -1.69 0.27 132.00 132.99 2h1d h PRO 82 Ca 0.11 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 2h1d h PRO 82 Cb -0.02 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 2h1d h PRO 82 CO -0.04 0.54 0.18 1.88 -0.21 0.00 0.00 178.00 180.35 2h1d h TYR 83 N 0.84 0.55 -0.29 0.65 0.05 -1.49 -0.52 116.97 116.77 2h1d h TYR 83 Ca 0.55 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.30 2h1d h TYR 83 Cb 0.77 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 2h1d h TYR 83 CO -0.00 0.47 0.19 0.52 -1.05 0.00 0.00 178.16 178.28 2h1d h MET 84 N 0.48 0.38 -0.95 4.88 2.86 -1.03 -1.43 114.93 120.12 2h1d h MET 84 Ca 0.13 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.81 2h1d h MET 84 Cb 0.13 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.64 2h1d h MET 84 CO -0.02 0.26 0.60 0.00 1.06 0.00 0.00 176.91 178.81 2h1d h ALA 85 N 1.10 1.32 -0.32 6.32 0.00 -0.68 0.23 119.26 127.22 2h1d h ALA 85 Ca 0.10 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2h1d h ALA 85 Cb -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2h1d h ALA 85 CO -0.02 0.36 -0.41 -0.97 0.00 0.00 0.00 179.25 178.20 2h1d h ASN 86 N 1.08 0.92 0.70 0.00 -1.24 -0.92 -2.90 115.58 113.22 2h1d h ASN 86 Ca 0.41 -0.49 -0.18 0.00 0.71 0.00 0.00 56.30 56.75 2h1d h ASN 86 Cb 0.19 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 2h1d h ASN 86 CO -0.18 1.23 -0.82 1.56 -1.29 0.00 0.00 177.43 177.93 2h1d h GLN 87 N 0.63 0.08 -0.04 6.67 1.08 -1.00 -3.19 115.11 119.35 2h1d h GLN 87 Ca 0.04 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2h1d h GLN 87 Cb 1.01 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.46 2h1d h GLN 87 CO 0.10 0.85 -0.06 -0.92 -0.95 0.00 0.00 178.83 177.85 2h1d h TYR 88 N 0.04 0.05 -0.70 2.96 3.20 -0.43 0.30 116.97 122.39 2h1d h TYR 88 Ca -0.02 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.91 2h1d h TYR 88 Cb 1.43 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.64 2h1d h TYR 88 CO 0.01 0.12 0.46 0.87 -1.64 0.00 0.00 178.16 177.98 2h1d h LYS 89 N 0.05 0.73 0.19 1.82 1.57 -1.49 -1.38 116.57 118.06 2h1d h LYS 89 Ca 0.01 -0.04 -0.35 0.00 -1.87 0.00 0.00 60.65 58.40 2h1d h LYS 89 Cb 0.14 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.30 2h1d h LYS 89 CO 0.01 0.48 -1.70 1.25 -0.57 0.00 0.00 179.45 178.92 2h1d h HIS 90 N 0.75 0.72 0.00 -1.35 2.76 -1.31 -3.42 115.15 113.30 2h1d h HIS 90 Ca 0.30 -0.52 -0.04 0.00 -2.20 0.00 0.00 60.37 57.91 2h1d h HIS 90 Cb 0.22 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 2h1d h HIS 90 CO -0.00 1.63 -0.99 0.74 -1.30 0.00 0.00 177.93 178.02 2h1d h PHE 91 N 0.11 0.00 -0.86 5.26 0.04 -0.69 -3.31 116.94 117.48 2h1d h PHE 91 Ca -0.33 0.00 0.21 0.00 2.80 0.00 0.00 57.97 60.66 2h1d h PHE 91 Cb 2.10 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 40.10 2h1d h PHE 91 CO 0.10 0.13 0.04 -0.22 -0.60 0.00 0.00 178.31 177.77 2h1d h LYS 92 N 0.00 0.09 -0.01 1.51 3.64 -1.37 -0.68 116.57 119.74 2h1d h LYS 92 Ca -0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2h1d h LYS 92 Cb 1.13 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2h1d h LYS 92 CO 0.01 0.06 -0.22 -1.13 -2.27 0.00 0.00 179.45 175.90 2h1d n SER 93 N -5.38 1.29 -0.31 4.20 3.41 -1.25 -2.75 113.62 112.83 2h1d n SER 93 Ca 0.18 -1.12 0.12 0.00 -0.26 0.00 0.00 58.87 57.79 2h1d n SER 93 Cb 0.60 0.14 0.55 0.00 -0.26 0.00 0.00 64.21 65.23 2h1d n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h1d n GLN 94 N -0.35 1.42 -1.63 4.33 1.13 -0.35 -4.95 117.38 116.98 2h1d n GLN 94 Ca 0.13 -0.62 -0.01 0.00 -1.94 0.00 0.00 57.00 54.56 2h1d n GLN 94 Cb 0.37 -1.41 -0.00 0.00 0.11 0.00 0.00 30.24 29.31 2h1d n GLN 94 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2h1d n GLY 95 N 1.04 0.38 3.79 1.08 0.00 -1.03 -4.00 105.19 106.45 2h1d n GLY 95 Ca 0.18 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 2h1d n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h1d s VAL 96 N -2.05 5.44 -0.05 1.61 1.01 -0.67 -1.70 120.40 123.97 2h1d s VAL 96 Ca 0.00 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.25 2h1d s VAL 96 Cb 0.00 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 2h1d s VAL 96 CO 0.00 0.51 -0.15 -0.70 0.00 0.00 0.00 175.10 174.76 2h1d s GLU 97 N -0.24 2.56 -0.05 2.72 2.56 1.00 -3.88 118.70 123.37 2h1d s GLU 97 Ca 0.12 -0.71 -0.15 0.00 0.00 0.00 0.00 54.97 54.22 2h1d s GLU 97 Cb -0.12 -2.38 -0.05 0.00 2.00 0.00 0.00 34.13 33.58 2h1d s GLU 97 CO 0.01 0.58 0.41 0.42 -0.56 0.00 0.00 175.26 176.12 2h1d s ILE 98 N -0.62 5.11 -0.31 -3.70 1.01 -1.26 0.38 121.20 121.81 2h1d s ILE 98 Ca 0.09 0.82 0.02 0.00 0.00 0.00 0.00 60.65 61.58 2h1d s ILE 98 Cb -0.11 -3.72 0.09 0.00 0.01 0.00 0.00 42.46 38.73 2h1d s ILE 98 CO 0.01 0.49 0.04 -0.69 0.00 0.00 0.00 174.94 174.80 2h1d s VAL 99 N -0.47 1.68 -0.54 2.92 1.01 -0.30 -4.08 120.40 120.62 2h1d s VAL 99 Ca 0.23 -1.82 -0.22 0.00 0.00 0.00 0.00 61.98 60.17 2h1d s VAL 99 Cb -0.16 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.09 2h1d s VAL 99 CO 0.11 -0.52 0.81 0.00 0.00 0.00 0.00 175.10 175.50 2h1d s ALA 100 N 1.23 3.26 -0.50 5.51 0.00 -0.81 -1.27 121.76 129.18 2h1d s ALA 100 Ca 0.07 -1.52 -0.23 0.00 0.00 0.00 0.00 51.96 50.29 2h1d s ALA 100 Cb -0.18 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.39 2h1d s ALA 100 CO -0.13 -2.26 0.82 0.08 0.00 0.00 0.00 175.76 174.27 2h1d s VAL 101 N 3.38 4.59 0.08 0.00 1.01 0.39 -1.04 120.40 128.81 2h1d s VAL 101 Ca 0.23 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 2h1d s VAL 101 Cb -0.16 -4.40 -0.06 0.00 0.00 0.00 0.00 36.38 31.76 2h1d s VAL 101 CO 0.15 -0.88 1.13 0.21 0.00 0.00 0.00 175.10 175.71 2h1d s ASN 102 N 2.49 7.18 -1.17 3.32 3.84 -0.21 -1.63 114.94 128.76 2h1d s ASN 102 Ca 0.28 1.97 -0.14 0.00 0.21 0.00 0.00 52.86 55.19 2h1d s ASN 102 Cb -0.13 -2.58 0.18 0.00 -0.55 0.00 0.00 41.25 38.16 2h1d s ASN 102 CO 0.20 -0.36 1.36 -0.69 -2.79 0.00 0.00 177.10 174.82 2h1d s VAL 103 N 0.68 5.14 0.00 -5.21 1.01 -0.28 -1.11 120.40 120.63 2h1d s VAL 103 Ca 0.55 -2.66 0.00 0.00 0.00 0.00 0.00 61.98 59.87 2h1d s VAL 103 Cb -0.28 -4.86 0.00 0.00 0.00 0.00 0.00 36.38 31.24 2h1d s VAL 103 CO 0.31 -1.55 0.00 0.61 0.00 0.00 0.00 175.10 174.46 2h1d n GLY 104 N 4.03 0.74 3.93 4.51 0.00 -0.74 -4.93 105.19 112.72 2h1d n GLY 104 Ca 0.34 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.10 2h1d n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h1d s GLU 105 N -0.54 3.53 0.59 1.61 2.02 -1.26 -4.89 118.70 119.76 2h1d s GLU 105 Ca 0.00 -0.12 -0.18 0.00 0.02 0.00 0.00 54.97 54.69 2h1d s GLU 105 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.62 2h1d s GLU 105 CO 0.00 0.05 1.19 -1.54 0.02 0.00 0.00 175.26 174.97 2h1d s SER 106 N -3.92 5.24 0.36 -0.19 1.04 -1.26 -4.84 113.70 110.14 2h1d s SER 106 Ca 0.43 2.32 0.16 0.00 0.48 0.00 0.00 55.95 59.34 2h1d s SER 106 Cb -0.10 -2.59 1.08 0.00 0.10 0.00 0.00 66.02 64.51 2h1d s SER 106 CO 0.38 -1.55 1.71 0.50 0.98 0.00 0.00 173.24 175.25 2h1d h LYS 107 N 0.84 0.38 -0.06 4.02 3.64 -1.99 -1.95 116.57 121.44 2h1d h LYS 107 Ca -0.50 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 58.63 2h1d h LYS 107 Cb 1.29 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 33.04 2h1d h LYS 107 CO 0.55 0.25 -0.87 0.82 -2.27 0.00 0.00 179.45 177.93 2h1d h ILE 108 N 0.39 1.30 -0.56 2.00 5.03 -1.99 0.08 117.51 123.76 2h1d h ILE 108 Ca 0.68 -2.10 0.00 0.00 -0.12 0.00 0.00 64.86 63.32 2h1d h ILE 108 Cb 1.61 2.25 -0.03 0.00 -3.03 0.00 0.00 36.82 37.63 2h1d h ILE 108 CO -0.45 0.65 0.35 0.00 -0.68 0.00 0.00 178.15 178.02 2h1d h ALA 109 N 0.45 1.56 -0.03 1.87 0.00 -1.80 -0.74 119.26 120.57 2h1d h ALA 109 Ca -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2h1d h ALA 109 Cb 1.52 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2h1d h ALA 109 CO 0.17 0.39 -0.02 0.28 0.00 0.00 0.00 179.25 180.07 2h1d h VAL 110 N 0.77 1.38 -0.94 0.00 2.07 -1.28 -2.68 116.25 115.57 2h1d h VAL 110 Ca 0.20 -1.17 0.06 0.00 0.82 0.00 0.00 66.70 66.61 2h1d h VAL 110 Cb -0.06 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2h1d h VAL 110 CO -0.04 0.31 0.61 0.45 0.02 0.00 0.00 177.57 178.92 2h1d h HIS 111 N -0.41 1.11 -0.53 1.57 -0.00 -0.71 -1.55 115.15 114.63 2h1d h HIS 111 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2h1d h HIS 111 Cb 0.52 -0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 2h1d h HIS 111 CO 0.09 0.60 0.30 -0.91 -0.00 0.00 0.00 177.93 178.01 2h1d h ASN 112 N 1.11 0.65 -0.30 2.45 -0.26 -1.05 -2.08 115.58 116.10 2h1d h ASN 112 Ca 0.40 -0.08 -0.14 0.00 -0.56 0.00 0.00 56.30 55.92 2h1d h ASN 112 Cb 0.14 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 2h1d h ASN 112 CO -0.14 0.55 -0.31 0.15 -1.06 0.00 0.00 177.43 176.61 2h1d h PHE 113 N 0.70 0.96 -0.54 1.19 3.04 -1.09 -1.25 116.94 119.95 2h1d h PHE 113 Ca 0.19 -0.26 -0.02 0.00 3.98 0.00 0.00 57.97 61.86 2h1d h PHE 113 Cb 0.03 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.30 2h1d h PHE 113 CO -0.02 1.03 0.27 0.52 -2.02 0.00 0.00 178.31 178.09 2h1d h MET 114 N 0.69 0.77 -0.51 1.11 2.86 -1.01 -1.14 114.93 117.70 2h1d h MET 114 Ca 0.07 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 2h1d h MET 114 Cb 0.86 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 2h1d h MET 114 CO 0.08 0.62 0.06 -0.22 1.06 0.00 0.00 176.91 178.50 2h1d h LYS 115 N 0.72 0.85 -0.33 1.72 3.64 -1.29 -0.66 116.57 121.22 2h1d h LYS 115 Ca 0.19 -0.24 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 2h1d h LYS 115 Cb 0.09 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2h1d h LYS 115 CO -0.03 0.86 -0.26 0.77 -2.27 0.00 0.00 179.45 178.52 2h1d h SER 116 N 0.73 0.68 -0.38 4.20 0.02 -0.92 -3.18 113.55 114.70 2h1d h SER 116 Ca 0.15 -0.25 -0.19 0.00 -0.84 0.00 0.00 61.79 60.66 2h1d h SER 116 Cb 0.43 -0.19 -0.11 0.00 0.14 0.00 0.00 62.40 62.67 2h1d h SER 116 CO 0.01 0.91 -0.04 -1.22 -1.14 0.00 0.00 176.83 175.36 2h1d n TYR 117 N -4.10 1.19 -3.94 3.45 4.01 -0.46 -5.01 117.16 112.30 2h1d n TYR 117 Ca -0.00 -1.57 -0.41 0.00 -0.16 0.00 0.00 57.90 55.75 2h1d n TYR 117 Cb 0.44 -0.51 0.03 0.00 -0.31 0.00 0.00 39.34 38.99 2h1d n TYR 117 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2h1d n GLY 118 N -1.09 -0.91 3.73 2.72 0.00 -0.83 -4.00 105.19 104.81 2h1d n GLY 118 Ca 0.34 0.39 -0.40 0.00 0.00 0.00 0.00 46.02 46.34 2h1d n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h1d s VAL 119 N -3.48 4.84 -0.02 1.61 1.01 -0.32 -4.77 120.40 119.29 2h1d s VAL 119 Ca 0.46 1.73 0.03 0.00 0.00 0.00 0.00 61.98 64.20 2h1d s VAL 119 Cb -0.23 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.02 2h1d s VAL 119 CO 0.94 0.27 0.93 -0.46 0.00 0.00 0.00 175.10 176.78 2h1d n ASN 120 N 3.39 1.63 -4.49 3.32 6.94 -1.26 -4.92 115.26 119.87 2h1d n ASN 120 Ca 0.01 -1.98 -0.24 0.00 -0.02 0.00 0.00 54.58 52.35 2h1d n ASN 120 Cb 0.51 -0.07 -0.10 0.00 -2.36 0.00 0.00 39.78 37.76 2h1d n ASN 120 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 2h1d s PHE 121 N -1.05 2.27 0.19 -2.53 -0.12 -1.26 -5.07 117.98 110.41 2h1d s PHE 121 Ca 0.04 -0.46 -0.32 0.00 -0.05 0.00 0.00 56.93 56.14 2h1d s PHE 121 Cb 0.04 -1.17 -0.12 0.00 -0.63 0.00 0.00 43.02 41.14 2h1d s PHE 121 CO 0.00 0.59 1.72 -2.30 -0.05 0.00 0.00 175.22 175.19 2h1d n PRO 122 N -0.68 2.69 -5.00 1.99 -0.02 -1.26 -4.97 135.00 127.75 2h1d n PRO 122 Ca -0.05 0.97 -0.29 0.00 -2.02 0.00 0.00 63.50 62.11 2h1d n PRO 122 Cb 0.62 -2.82 -0.17 0.00 -0.02 0.00 0.00 33.50 31.11 2h1d n PRO 122 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2h1d s VAL 123 N 1.39 1.74 0.36 -1.45 1.01 -1.26 -1.92 120.40 120.28 2h1d s VAL 123 Ca 0.77 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.99 2h1d s VAL 123 Cb -0.53 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2h1d s VAL 123 CO 0.34 0.49 0.17 0.68 0.00 0.00 0.00 175.10 176.77 2h1d s VAL 124 N 0.45 2.81 -0.36 2.92 -7.23 -0.21 -1.76 120.40 117.04 2h1d s VAL 124 Ca -0.17 -1.68 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 2h1d s VAL 124 Cb -0.17 -2.98 0.09 0.00 0.56 0.00 0.00 36.38 33.88 2h1d s VAL 124 CO 0.07 -0.13 0.10 -0.76 -0.31 0.00 0.00 175.10 174.08 2h1d s LEU 125 N -3.88 4.71 -1.25 1.32 1.43 -0.90 -1.05 118.68 119.06 2h1d s LEU 125 Ca 0.39 -1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 51.54 2h1d s LEU 125 Cb -0.01 -1.74 0.16 0.00 0.03 0.00 0.00 46.19 44.63 2h1d s LEU 125 CO 0.23 -0.42 1.66 -0.67 0.23 0.00 0.00 176.35 177.38 2h1d n ASP 126 N 4.52 5.12 -0.12 2.29 2.03 -0.27 -4.56 116.55 125.56 2h1d n ASP 126 Ca -0.04 -3.03 -0.01 0.00 0.52 0.00 0.00 54.79 52.22 2h1d n ASP 126 Cb 0.42 -1.54 0.23 0.00 -0.72 0.00 0.00 41.12 39.51 2h1d n ASP 126 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2h1d h THR 127 N 4.28 1.21 -0.32 5.18 1.35 -1.90 -1.48 112.91 121.22 2h1d h THR 127 Ca 0.36 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2h1d h THR 127 Cb 0.76 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2h1d h THR 127 CO 1.44 0.26 0.00 -0.90 -0.25 0.00 0.00 175.52 176.07 2h1d n ASP 128 N -4.32 3.14 -1.33 5.36 5.68 -1.26 -4.53 116.55 119.29 2h1d n ASP 128 Ca 0.04 -1.91 -0.15 0.00 -0.50 0.00 0.00 54.79 52.27 2h1d n ASP 128 Cb 0.18 -0.21 -0.05 0.00 -1.14 0.00 0.00 41.12 39.91 2h1d n ASP 128 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2h1d n ARG 129 N 1.19 -1.10 0.11 0.11 1.74 -0.64 -4.89 116.66 113.18 2h1d n ARG 129 Ca 0.16 0.94 -0.03 0.00 -0.77 0.00 0.00 57.85 58.15 2h1d n ARG 129 Cb 0.52 -5.14 0.04 0.00 -1.02 0.00 0.00 32.46 26.86 2h1d n ARG 129 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2h1d h GLN 130 N 0.00 0.00 -0.29 5.56 4.20 -1.93 -2.70 115.11 119.95 2h1d h GLN 130 Ca -0.32 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.29 2h1d h GLN 130 Cb 1.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 2h1d h GLN 130 CO 0.44 0.76 -0.21 0.28 -0.67 0.00 0.00 178.83 179.44 2h1d h VAL 131 N 0.00 1.30 -0.70 -0.54 2.07 -1.92 -0.24 116.25 116.23 2h1d h VAL 131 Ca -0.01 -1.35 0.11 0.00 0.82 0.00 0.00 66.70 66.27 2h1d h VAL 131 Cb 1.42 1.54 -0.08 0.00 -1.52 0.00 0.00 31.29 32.65 2h1d h VAL 131 CO 0.10 0.43 0.30 0.25 0.02 0.00 0.00 177.57 178.67 2h1d h LEU 132 N 0.39 0.35 -0.72 2.57 5.85 -1.93 -0.81 115.31 121.01 2h1d h LEU 132 Ca 0.06 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 2h1d h LEU 132 Cb 0.75 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2h1d h LEU 132 CO 0.06 0.18 -0.59 0.44 -0.34 0.00 0.00 178.44 178.19 2h1d h ASP 133 N 0.50 0.20 -0.81 1.25 3.32 -1.26 -1.86 116.42 117.77 2h1d h ASP 133 Ca 0.36 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.31 2h1d h ASP 133 Cb 0.45 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2h1d h ASP 133 CO -0.32 0.74 0.54 0.00 -1.72 0.00 0.00 179.24 178.48 2h1d h ALA 134 N 1.26 1.44 -0.01 3.45 0.00 0.04 -2.12 119.26 123.32 2h1d h ALA 134 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2h1d h ALA 134 Cb 1.07 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2h1d h ALA 134 CO 0.09 0.51 -0.14 0.66 0.00 0.00 0.00 179.25 180.37 2h1d n TYR 135 N -4.42 0.00 -3.84 0.00 4.02 -0.42 -4.93 117.16 107.58 2h1d n TYR 135 Ca 0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.71 2h1d n TYR 135 Cb 0.04 -0.07 0.03 0.00 -0.02 0.00 0.00 39.34 39.32 2h1d n TYR 135 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2h1d n ASP 136 N -0.28 -3.89 -4.72 7.72 2.03 -0.76 -4.93 116.55 111.73 2h1d n ASP 136 Ca 0.15 -0.78 -0.41 0.00 0.52 0.00 0.00 54.79 54.28 2h1d n ASP 136 Cb 0.35 -3.99 -0.04 0.00 -0.72 0.00 0.00 41.12 36.72 2h1d n ASP 136 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2h1d s VAL 137 N -3.41 4.91 0.00 5.18 1.01 -0.86 -4.99 120.40 122.24 2h1d s VAL 137 Ca 0.48 1.77 -0.02 0.00 0.00 0.00 0.00 61.98 64.21 2h1d s VAL 137 Cb -0.24 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 2h1d s VAL 137 CO 0.82 0.22 -0.03 -1.20 0.00 0.00 0.00 175.10 174.91 2h1d n SER 138 N 3.69 0.36 -4.77 3.32 7.64 -1.26 -4.89 113.62 117.71 2h1d n SER 138 Ca 0.02 0.05 -0.38 0.00 1.01 0.00 0.00 58.87 59.57 2h1d n SER 138 Cb 0.51 -0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 2h1d n SER 138 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2h1d s PRO 139 N -1.34 4.49 -0.04 1.43 0.05 -1.26 -5.03 135.00 133.31 2h1d s PRO 139 Ca -0.02 1.57 0.06 0.00 0.05 0.00 0.00 61.00 62.66 2h1d s PRO 139 Cb 0.00 -2.90 -0.02 0.00 0.05 0.00 0.00 34.50 31.63 2h1d s PRO 139 CO 0.04 0.14 -0.21 -0.51 0.05 0.00 0.00 177.00 176.50 2h1d s LEU 140 N -1.95 2.33 0.67 -3.56 1.43 -1.26 -3.79 118.68 112.55 2h1d s LEU 140 Ca 0.50 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 2h1d s LEU 140 Cb -0.25 -1.43 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 2h1d s LEU 140 CO 0.32 0.32 1.06 -2.16 0.23 0.00 0.00 176.35 176.12 2h1d s PRO 141 N -0.60 3.04 -0.02 1.29 0.04 -1.26 -4.98 135.00 132.51 2h1d s PRO 141 Ca 0.09 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.16 2h1d s PRO 141 Cb -0.11 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.44 2h1d s PRO 141 CO 0.00 -1.02 -0.04 0.99 0.04 0.00 0.00 177.00 176.97 2h1d s THR 142 N -2.91 0.41 -0.12 1.26 2.01 -0.92 -4.38 115.64 111.00 2h1d s THR 142 Ca 0.59 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.45 2h1d s THR 142 Cb -0.14 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.96 2h1d s THR 142 CO 0.51 0.15 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.53 2h1d s THR 143 N 0.31 2.77 -0.22 -0.82 2.01 0.41 -0.41 115.64 119.69 2h1d s THR 143 Ca -0.03 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.13 2h1d s THR 143 Cb -0.07 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 2h1d s THR 143 CO -0.00 0.54 0.05 -0.36 -0.69 0.00 0.00 174.62 174.16 2h1d s PHE 144 N 0.27 3.12 -0.46 4.92 0.40 0.13 0.04 117.98 126.39 2h1d s PHE 144 Ca -0.11 -0.27 -0.20 0.00 -0.60 0.00 0.00 56.93 55.75 2h1d s PHE 144 Cb -0.16 -2.16 0.03 0.00 0.51 0.00 0.00 43.02 41.25 2h1d s PHE 144 CO 0.06 -0.18 0.62 -0.51 0.70 0.00 0.00 175.22 175.91 2h1d s LEU 145 N 1.11 4.68 -0.18 -0.37 1.43 -0.07 -1.26 118.68 124.01 2h1d s LEU 145 Ca 0.04 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 2h1d s LEU 145 Cb -0.14 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 2h1d s LEU 145 CO 0.03 -0.80 -0.02 -0.63 0.23 0.00 0.00 176.35 175.15 2h1d s ILE 146 N 2.71 3.82 0.72 -0.59 1.01 -0.38 0.12 121.20 128.60 2h1d s ILE 146 Ca 0.19 -0.37 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 2h1d s ILE 146 Cb -0.16 -2.71 0.05 0.00 0.01 0.00 0.00 42.46 39.65 2h1d s ILE 146 CO 0.16 0.45 1.07 0.54 0.00 0.00 0.00 174.94 177.16 2h1d s ASN 147 N 0.80 4.99 0.57 3.58 2.20 0.28 -0.41 114.94 126.95 2h1d s ASN 147 Ca -0.01 0.75 0.31 0.00 -0.94 0.00 0.00 52.86 52.97 2h1d s ASN 147 Cb -0.14 -1.44 1.42 0.00 -2.00 0.00 0.00 41.25 39.09 2h1d s ASN 147 CO 0.02 -1.55 1.78 -0.65 -2.94 0.00 0.00 177.10 173.76 2h1d h PRO 148 N -0.68 0.00 -0.00 3.55 0.11 -1.76 0.26 132.00 133.47 2h1d h PRO 148 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2h1d h PRO 148 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2h1d h PRO 148 CO 0.63 0.00 -0.03 0.39 -0.21 0.00 0.00 178.00 178.78 2h1d n GLU 149 N -3.82 1.01 -1.34 1.05 4.71 -1.26 -1.45 120.64 119.54 2h1d n GLU 149 Ca 0.16 -0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 2h1d n GLU 149 Cb 0.99 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.92 2h1d n GLU 149 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2h1d n GLY 150 N 1.13 0.50 3.74 0.62 0.00 0.92 -5.03 105.19 107.07 2h1d n GLY 150 Ca 0.20 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 2h1d n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1d s LYS 151 N -2.73 2.95 -0.14 1.61 -0.14 -1.25 -2.43 119.74 117.61 2h1d s LYS 151 Ca 0.00 -0.54 -0.29 0.00 -1.36 0.00 0.00 55.97 53.78 2h1d s LYS 151 Cb 0.00 -2.78 -0.02 0.00 -1.68 0.00 0.00 37.83 33.35 2h1d s LYS 151 CO 0.00 0.64 1.20 0.08 -0.76 0.00 0.00 175.35 176.51 2h1d s VAL 152 N -1.16 4.35 -0.21 3.17 1.01 0.83 -0.56 120.40 127.84 2h1d s VAL 152 Ca 0.22 1.65 0.16 0.00 0.00 0.00 0.00 61.98 64.00 2h1d s VAL 152 Cb -0.12 -4.06 -0.22 0.00 0.00 0.00 0.00 36.38 31.98 2h1d s VAL 152 CO 0.13 -0.09 0.42 1.33 0.00 0.00 0.00 175.10 176.88 2h1d n VAL 153 N 5.10 0.00 -3.62 2.92 0.24 0.12 -4.17 118.33 118.92 2h1d n VAL 153 Ca 0.12 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 2h1d n VAL 153 Cb 0.46 0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 33.13 2h1d n VAL 153 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2h1d s LYS 154 N -2.91 0.67 -0.16 7.34 2.20 -1.21 -5.02 119.74 120.66 2h1d s LYS 154 Ca -0.03 0.66 -0.00 0.00 -0.36 0.00 0.00 55.97 56.24 2h1d s LYS 154 Cb 0.10 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.74 2h1d s LYS 154 CO 0.64 -0.11 -0.13 0.08 -0.36 0.00 0.00 175.35 175.47 2h1d s VAL 155 N 0.02 2.84 -0.14 4.02 1.01 -1.26 -0.89 120.40 126.00 2h1d s VAL 155 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2h1d s VAL 155 Cb -0.04 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.13 2h1d s VAL 155 CO -0.02 0.51 -0.21 -0.69 0.00 0.00 0.00 175.10 174.69 2h1d s VAL 156 N 0.81 2.22 0.32 2.92 1.01 0.11 -4.98 120.40 122.81 2h1d s VAL 156 Ca -0.05 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2h1d s VAL 156 Cb -0.15 -1.89 -0.06 0.00 0.00 0.00 0.00 36.38 34.27 2h1d s VAL 156 CO 0.00 0.54 0.07 0.28 0.00 0.00 0.00 175.10 175.99 2h1d s THR 157 N 0.74 1.08 0.07 3.92 -1.32 -1.26 -0.44 115.64 118.43 2h1d s THR 157 Ca -0.08 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.40 2h1d s THR 157 Cb -0.16 -2.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.08 2h1d s THR 157 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2h1d n GLY 158 N -0.67 -1.53 3.79 6.08 0.00 -1.26 -4.92 105.19 106.68 2h1d n GLY 158 Ca -0.02 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 2h1d n GLY 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h1d s THR 159 N -0.58 3.91 -0.04 2.61 2.01 -1.26 -5.00 115.64 117.29 2h1d s THR 159 Ca 0.00 1.37 0.05 0.00 0.31 0.00 0.00 61.69 63.42 2h1d s THR 159 Cb 0.00 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 2h1d s THR 159 CO 0.00 -0.08 -0.20 -0.04 -0.69 0.00 0.00 174.62 173.62 2h1d s MET 160 N -2.69 1.97 0.71 4.92 1.00 -1.26 -5.10 119.30 118.85 2h1d s MET 160 Ca 0.59 -0.70 -0.05 0.00 0.00 0.00 0.00 55.69 55.53 2h1d s MET 160 Cb -0.18 -1.72 0.09 0.00 0.00 0.00 0.00 34.83 33.02 2h1d s MET 160 CO 0.23 0.30 1.00 0.95 0.00 0.00 0.00 175.02 177.51 2h1d s THR 161 N -0.07 2.28 0.27 2.05 -4.23 -1.26 -4.89 115.64 109.78 2h1d s THR 161 Ca -0.02 -0.39 0.04 0.00 -1.18 0.00 0.00 61.69 60.13 2h1d s THR 161 Cb -0.12 -2.89 0.03 0.00 1.34 0.00 0.00 72.50 70.87 2h1d s THR 161 CO 0.02 0.00 1.67 -0.08 -0.54 0.00 0.00 174.62 175.69 2h1d h GLU 162 N -0.58 0.34 -0.91 3.99 4.81 -1.98 -2.08 114.58 118.17 2h1d h GLU 162 Ca -0.42 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 58.64 2h1d h GLU 162 Cb 1.29 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 2h1d h GLU 162 CO 0.51 0.69 0.55 1.03 -0.73 0.00 0.00 179.01 181.06 2h1d h SER 163 N 0.29 1.08 -0.31 1.04 0.87 -1.99 0.62 113.55 115.15 2h1d h SER 163 Ca 0.03 -0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.39 2h1d h SER 163 Cb 0.83 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2h1d h SER 163 CO 0.07 0.82 -0.33 0.24 -0.53 0.00 0.00 176.83 177.10 2h1d h MET 164 N 1.25 0.76 -0.21 2.24 2.86 -1.87 -1.89 114.93 118.07 2h1d h MET 164 Ca 0.33 -0.41 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2h1d h MET 164 Cb -0.07 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2h1d h MET 164 CO -0.06 1.04 0.08 0.82 1.06 0.00 0.00 176.91 179.85 2h1d h ILE 165 N 0.52 0.96 -0.46 -1.22 2.04 -0.95 -1.17 117.51 117.24 2h1d h ILE 165 Ca 0.05 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 65.93 2h1d h ILE 165 Cb 0.91 0.76 -0.09 0.00 -0.74 0.00 0.00 36.82 37.65 2h1d h ILE 165 CO 0.08 0.03 -0.16 -0.74 0.00 0.00 0.00 178.15 177.36 2h1d h HIS 166 N 0.19 -0.38 -0.39 1.37 2.76 -0.83 -1.46 115.15 116.42 2h1d h HIS 166 Ca 0.09 0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.25 2h1d h HIS 166 Cb 0.05 0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 2h1d h HIS 166 CO -0.11 -0.25 0.04 -0.44 -1.30 0.00 0.00 177.93 175.87 2h1d h ASP 167 N -0.06 0.63 -0.89 3.26 3.32 -0.97 -1.79 116.42 119.92 2h1d h ASP 167 Ca 0.22 -0.28 0.05 0.00 0.02 0.00 0.00 57.03 57.04 2h1d h ASP 167 Cb 0.40 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 2h1d h ASP 167 CO -0.50 0.75 0.57 1.88 -1.72 0.00 0.00 179.24 180.22 2h1d h TYR 168 N 0.49 1.06 -0.83 4.55 0.05 -1.12 -0.16 116.97 121.00 2h1d h TYR 168 Ca 0.11 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 2h1d h TYR 168 Cb 0.41 -0.35 -0.04 0.00 1.01 0.00 0.00 36.73 37.76 2h1d h TYR 168 CO 0.03 0.57 0.41 0.52 -1.05 0.00 0.00 178.16 178.64 2h1d h MET 169 N 1.06 1.20 -0.34 4.88 2.86 -0.92 -2.82 114.93 120.85 2h1d h MET 169 Ca 0.37 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 2h1d h MET 169 Cb 0.10 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 2h1d h MET 169 CO -0.15 0.92 0.03 -0.91 1.06 0.00 0.00 176.91 177.86 2h1d h ASN 170 N 1.18 0.47 -0.70 1.22 2.35 -0.38 -1.39 115.58 118.33 2h1d h ASN 170 Ca 0.29 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.97 2h1d h ASN 170 Cb 0.11 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2h1d h ASN 170 CO -0.04 0.52 0.46 0.25 -1.65 0.00 0.00 177.43 176.97 2h1d h LEU 171 N 0.49 0.80 -1.46 1.61 5.85 -0.82 -3.27 115.31 118.51 2h1d h LEU 171 Ca 0.11 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2h1d h LEU 171 Cb 0.27 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2h1d h LEU 171 CO 0.00 0.58 0.00 2.30 -0.34 0.00 0.00 178.44 180.99 2h1d n ILE 172 N -4.43 0.14 -2.19 4.05 -5.35 -0.94 -4.99 119.36 105.64 2h1d n ILE 172 Ca 0.07 -0.57 -0.40 0.00 -0.27 0.00 0.00 62.75 61.59 2h1d n ILE 172 Cb 0.03 1.04 -0.02 0.00 -1.74 0.00 0.00 39.64 38.95 2h1d n ILE 172 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2h1d s LYS 173 N -0.55 4.29 0.21 6.28 -2.85 -0.57 -3.64 119.74 122.91 2h1d s LYS 173 Ca 0.07 2.08 -0.09 0.00 -1.00 0.00 0.00 55.97 57.03 2h1d s LYS 173 Cb 0.05 -2.97 0.24 0.00 -2.06 0.00 0.00 37.83 33.09 2h1d s LYS 173 CO 0.07 -0.19 1.79 -1.35 0.10 0.00 0.00 175.35 175.77 2h1d h PRO 174 N 3.21 0.59 0.00 1.78 0.11 -1.77 -3.46 132.00 132.46 2h1d h PRO 174 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2h1d h PRO 174 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2h1d h PRO 174 CO 0.65 0.39 0.00 0.41 -0.21 0.00 0.00 178.00 179.24 2h1d n GLY 175 N -1.28 1.14 0.00 -0.55 0.00 -1.26 -5.09 105.19 98.15 2h1d n GLY 175 Ca 0.08 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.18 2h1d n GLY 175 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50