#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1g s ASP 41 N 0.00 6.37 -0.33 -3.46 1.01 -1.26 -1.61 116.67 117.39 2h1g s ASP 41 Ca 0.00 2.97 -0.23 0.00 0.71 0.00 0.00 52.55 56.00 2h1g s ASP 41 Cb 0.00 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.29 2h1g s ASP 41 CO 0.00 -0.90 0.75 0.00 0.21 0.00 0.00 175.17 175.23 2h1g s ALA 42 N -0.21 3.49 -0.06 5.23 0.00 -1.02 -4.79 121.76 124.39 2h1g s ALA 42 Ca 0.61 -0.57 -0.36 0.00 0.00 0.00 0.00 51.96 51.65 2h1g s ALA 42 Cb -0.47 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.22 2h1g s ALA 42 CO 0.51 -1.30 1.74 -2.30 0.00 0.00 0.00 175.76 174.40 2h1g n PRO 43 N 6.23 1.85 -1.16 0.00 -0.02 -1.26 -4.94 135.00 135.70 2h1g n PRO 43 Ca 0.02 0.67 -0.30 0.00 -2.02 0.00 0.00 63.50 61.88 2h1g n PRO 43 Cb 0.48 -2.45 0.15 0.00 -0.02 0.00 0.00 33.50 31.66 2h1g n PRO 43 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2h1g s ASN 44 N 2.95 3.21 -0.11 2.55 3.04 -1.26 -5.00 114.94 120.31 2h1g s ASN 44 Ca 0.90 1.46 -0.32 0.00 0.04 0.00 0.00 52.86 54.94 2h1g s ASN 44 Cb -0.80 -2.13 0.12 0.00 -1.54 0.00 0.00 41.25 36.90 2h1g s ASN 44 CO 0.51 -2.80 1.06 0.72 -3.04 0.00 0.00 177.10 173.55 2h1g s PHE 45 N -2.91 -0.24 -0.08 0.43 -0.12 -1.26 -4.98 117.98 108.83 2h1g s PHE 45 Ca 0.64 0.19 -0.01 0.00 -0.05 0.00 0.00 56.93 57.69 2h1g s PHE 45 Cb -0.18 0.52 0.03 0.00 -0.63 0.00 0.00 43.02 42.75 2h1g s PHE 45 CO 0.57 -0.35 -0.01 0.08 -0.05 0.00 0.00 175.22 175.47 2h1g s VAL 46 N -2.53 0.45 0.16 -2.49 1.01 -1.26 -1.95 120.40 113.78 2h1g s VAL 46 Ca 0.06 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.13 2h1g s VAL 46 Cb -0.01 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2h1g s VAL 46 CO -0.06 0.27 0.02 -0.76 0.00 0.00 0.00 175.10 174.56 2h1g s LEU 47 N 1.94 2.04 -0.04 3.92 1.43 -0.98 -4.96 118.68 122.03 2h1g s LEU 47 Ca 0.05 -1.18 -0.15 0.00 -1.03 0.00 0.00 54.13 51.82 2h1g s LEU 47 Cb -0.12 0.04 -0.05 0.00 0.03 0.00 0.00 46.19 46.09 2h1g s LEU 47 CO -0.06 -0.61 0.41 -1.61 0.23 0.00 0.00 176.35 174.71 2h1g s GLU 48 N -3.95 4.03 0.00 1.70 2.02 -1.26 -0.54 118.70 120.70 2h1g s GLU 48 Ca 0.24 0.38 0.00 0.00 0.02 0.00 0.00 54.97 55.61 2h1g s GLU 48 Cb 0.06 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 31.01 2h1g s GLU 48 CO 0.03 0.55 0.00 -0.40 0.02 0.00 0.00 175.26 175.46 2h1g n ASP 49 N 2.35 -1.22 -0.86 -0.19 5.68 0.01 -2.62 116.55 119.69 2h1g n ASP 49 Ca -0.12 -0.34 -0.00 0.00 -0.50 0.00 0.00 54.79 53.82 2h1g n ASP 49 Cb 0.52 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.55 2h1g n ASP 49 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2h1g n THR 50 N -2.54 0.71 -2.66 2.12 -2.24 -0.92 -2.71 114.28 106.05 2h1g n THR 50 Ca 0.00 -0.23 -0.06 0.00 -2.27 0.00 0.00 64.05 61.49 2h1g n THR 50 Cb 0.00 -0.62 0.04 0.00 -2.10 0.00 0.00 70.33 67.65 2h1g n THR 50 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2h1g n ASN 51 N 0.15 2.27 -1.18 3.42 3.02 -1.26 -4.97 115.26 116.71 2h1g n ASN 51 Ca 0.06 -2.46 -0.13 0.00 -0.03 0.00 0.00 54.58 52.01 2h1g n ASN 51 Cb 0.48 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 2h1g n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h1g n GLY 52 N -0.56 1.26 3.65 7.41 0.00 -1.10 -4.94 105.19 110.91 2h1g n GLY 52 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2h1g n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h1g s LYS 53 N -3.04 4.16 -0.00 1.61 2.20 -1.26 -4.82 119.74 118.58 2h1g s LYS 53 Ca 0.00 0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 55.74 2h1g s LYS 53 Cb 0.00 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 2h1g s LYS 53 CO 0.00 -0.23 1.37 0.50 -0.36 0.00 0.00 175.35 176.63 2h1g s ARG 54 N 1.91 4.29 -0.16 4.03 3.52 -1.26 -0.81 118.95 130.47 2h1g s ARG 54 Ca 0.24 1.93 0.02 0.00 -0.13 0.00 0.00 55.73 57.78 2h1g s ARG 54 Cb -0.16 -3.56 0.02 0.00 -1.56 0.00 0.00 34.95 29.69 2h1g s ARG 54 CO 0.09 -0.55 -0.20 0.42 -0.81 0.00 0.00 175.30 174.25 2h1g s ILE 55 N 2.34 2.01 -0.11 4.11 1.01 0.30 -4.94 121.20 125.93 2h1g s ILE 55 Ca 0.63 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 2h1g s ILE 55 Cb -0.31 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 2h1g s ILE 55 CO 0.26 0.54 -0.10 -0.70 0.00 0.00 0.00 174.94 174.93 2h1g s GLU 56 N 1.12 3.18 0.32 2.79 2.12 -1.26 -2.32 118.70 124.65 2h1g s GLU 56 Ca 0.00 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 54.72 2h1g s GLU 56 Cb -0.14 -2.63 0.54 0.00 0.26 0.00 0.00 34.13 32.16 2h1g s GLU 56 CO -0.08 0.37 1.89 1.25 -0.54 0.00 0.00 175.26 178.14 2h1g h LEU 57 N 6.22 0.64 -1.36 2.70 5.85 -1.77 -1.72 115.31 125.88 2h1g h LEU 57 Ca -0.34 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 2h1g h LEU 57 Cb 1.19 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 2h1g h LEU 57 CO 0.56 0.62 -0.11 0.77 -0.34 0.00 0.00 178.44 179.94 2h1g h SER 58 N 0.68 0.00 0.01 1.25 4.64 -1.95 -1.65 113.55 116.52 2h1g h SER 58 Ca 0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2h1g h SER 58 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2h1g h SER 58 CO -0.01 0.11 -0.00 0.44 -0.87 0.00 0.00 176.83 176.49 2h1g h ASP 59 N 0.00 0.00 -0.14 4.97 3.32 -1.71 -2.82 116.42 120.04 2h1g h ASP 59 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2h1g h ASP 59 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2h1g h ASP 59 CO 0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 2h1g n LEU 60 N -4.44 0.98 -4.62 1.55 4.77 -0.62 -4.87 117.00 109.76 2h1g n LEU 60 Ca -0.03 -0.45 -0.50 0.00 -0.03 0.00 0.00 56.01 55.01 2h1g n LEU 60 Cb 0.09 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2h1g n LEU 60 CO 0.33 0.22 0.96 0.29 -1.33 0.00 0.00 177.39 177.87 2h1g n LYS 61 N -0.06 1.48 0.00 3.23 5.02 -1.07 -1.18 118.16 125.59 2h1g n LYS 61 Ca 0.11 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 2h1g n LYS 61 Cb 0.19 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 2h1g n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2h1g n GLY 62 N 2.67 2.18 3.85 0.72 0.00 -0.87 -5.08 105.19 108.66 2h1g n GLY 62 Ca 0.17 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2h1g n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1g s LYS 63 N 0.00 3.14 0.29 1.61 1.02 -0.32 -4.73 119.74 120.74 2h1g s LYS 63 Ca 0.00 -0.66 -0.26 0.00 0.02 0.00 0.00 55.97 55.07 2h1g s LYS 63 Cb 0.00 -2.83 -0.09 0.00 -0.52 0.00 0.00 37.83 34.38 2h1g s LYS 63 CO 0.00 0.55 0.91 0.20 -0.92 0.00 0.00 175.35 176.09 2h1g s GLY 64 N -2.78 2.84 -0.17 -3.33 0.00 -0.63 -3.89 107.32 99.36 2h1g s GLY 64 Ca 0.32 0.49 0.01 0.00 0.00 0.00 0.00 44.72 45.55 2h1g s GLY 64 CO 0.25 0.95 -0.19 0.14 0.00 0.00 0.00 173.10 174.25 2h1g s VAL 65 N -1.51 1.99 -0.83 1.40 1.01 0.97 0.23 120.40 123.65 2h1g s VAL 65 Ca 0.47 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 2h1g s VAL 65 Cb -0.20 -1.80 0.12 0.00 0.00 0.00 0.00 36.38 34.50 2h1g s VAL 65 CO 0.25 0.53 1.03 0.12 0.00 0.00 0.00 175.10 177.02 2h1g s PHE 66 N 1.28 3.06 -0.54 5.22 2.19 0.77 -0.77 117.98 129.19 2h1g s PHE 66 Ca 0.04 -1.22 -0.19 0.00 0.33 0.00 0.00 56.93 55.89 2h1g s PHE 66 Cb -0.13 -4.22 0.08 0.00 -1.31 0.00 0.00 43.02 37.43 2h1g s PHE 66 CO -0.12 -1.47 0.64 -1.17 1.83 0.00 0.00 175.22 174.94 2h1g s LEU 67 N 2.78 5.16 -0.20 6.12 2.96 0.25 -1.86 118.68 133.89 2h1g s LEU 67 Ca 0.27 -1.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.02 2h1g s LEU 67 Cb -0.10 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 2h1g s LEU 67 CO -0.04 -0.96 -0.06 0.21 -1.32 0.00 0.00 176.35 174.17 2h1g s ASN 68 N 3.04 4.20 -0.16 3.68 3.84 -0.17 0.55 114.94 129.92 2h1g s ASN 68 Ca 0.13 -0.39 -0.16 0.00 0.21 0.00 0.00 52.86 52.65 2h1g s ASN 68 Cb -0.21 -1.71 -0.04 0.00 -0.55 0.00 0.00 41.25 38.74 2h1g s ASN 68 CO 0.09 0.01 0.38 -0.36 -2.79 0.00 0.00 177.10 174.43 2h1g s PHE 69 N 1.30 3.45 0.13 0.43 0.40 0.95 0.13 117.98 124.76 2h1g s PHE 69 Ca 0.04 0.69 -0.14 0.00 -0.60 0.00 0.00 56.93 56.92 2h1g s PHE 69 Cb -0.14 -2.46 0.02 0.00 0.51 0.00 0.00 43.02 40.95 2h1g s PHE 69 CO -0.03 0.14 0.35 1.67 0.70 0.00 0.00 175.22 178.05 2h1g s TRP 70 N 0.78 -0.04 0.10 0.36 1.48 -0.25 -2.18 118.94 119.19 2h1g s TRP 70 Ca 0.20 -0.31 0.02 0.00 -1.06 0.00 0.00 56.10 54.94 2h1g s TRP 70 Cb -0.14 0.16 -0.04 0.00 -1.16 0.00 0.00 33.47 32.29 2h1g s TRP 70 CO 0.07 -0.69 -0.06 0.20 -4.06 0.00 0.00 176.95 172.41 2h1g s GLY 71 N -2.84 0.80 0.48 3.67 0.00 -1.26 -0.50 107.32 107.67 2h1g s GLY 71 Ca 0.06 -1.37 0.25 0.00 0.00 0.00 0.00 44.72 43.66 2h1g s GLY 71 CO -0.09 -1.46 1.97 -0.91 0.00 0.00 0.00 173.10 172.61 2h1g h THR 72 N 2.95 0.64 0.00 0.90 1.35 -1.98 -2.92 112.91 113.84 2h1g h THR 72 Ca -0.35 -0.81 -0.04 0.00 -0.55 0.00 0.00 66.41 64.66 2h1g h THR 72 Cb 1.17 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 69.10 2h1g h THR 72 CO 0.64 0.18 -0.20 4.11 -0.25 0.00 0.00 175.52 180.00 2h1g h TRP 73 N 0.00 0.00 -2.86 4.73 0.09 -2.02 -3.45 115.95 112.44 2h1g h TRP 73 Ca -0.00 0.00 -0.57 0.00 0.09 0.00 0.00 58.89 58.41 2h1g h TRP 73 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 29.71 2h1g h TRP 73 CO 0.00 0.20 1.08 0.00 0.09 0.00 0.00 178.44 179.81 2h1g s ALA 74 N -3.79 3.31 0.34 0.11 0.00 -1.11 -4.93 121.76 115.70 2h1g s ALA 74 Ca -0.00 0.39 0.09 0.00 0.00 0.00 0.00 51.96 52.44 2h1g s ALA 74 Cb 0.11 -3.82 0.63 0.00 0.00 0.00 0.00 23.12 20.04 2h1g s ALA 74 CO 0.62 -1.87 1.80 0.93 0.00 0.00 0.00 175.76 177.24 2h1g h GLU 75 N 10.27 0.17 -0.60 0.00 4.39 -1.90 -2.35 114.58 124.55 2h1g h GLU 75 Ca -0.32 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.41 2h1g h GLU 75 Cb 1.14 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.71 2h1g h GLU 75 CO 1.01 0.47 0.22 -1.35 -1.16 0.00 0.00 179.01 178.20 2h1g h PRO 76 N 0.15 0.39 0.00 2.33 0.11 -1.93 -1.56 132.00 131.49 2h1g h PRO 76 Ca 0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2h1g h PRO 76 Cb 0.64 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.66 2h1g h PRO 76 CO 0.05 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.10 2h1g n ALA 77 N -2.47 1.16 0.07 -0.75 0.00 -0.89 -0.90 120.51 116.73 2h1g n ALA 77 Ca 0.08 0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 2h1g n ALA 77 Cb 0.27 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.29 2h1g n ALA 77 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2h1g h LYS 78 N 0.00 0.09 -0.10 0.00 1.57 -1.34 -2.71 116.57 114.08 2h1g h LYS 78 Ca 0.00 -0.15 -0.22 0.00 -1.87 0.00 0.00 60.65 58.41 2h1g h LYS 78 Cb 0.07 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.44 2h1g h LYS 78 CO 0.00 1.05 -0.82 0.87 -0.57 0.00 0.00 179.45 179.98 2h1g h LYS 79 N 0.02 0.63 0.00 3.15 6.56 -0.98 -3.39 116.57 122.57 2h1g h LYS 79 Ca -0.06 -0.55 -0.04 0.00 -1.06 0.00 0.00 60.65 58.94 2h1g h LYS 79 Cb 1.85 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 33.63 2h1g h LYS 79 CO 0.15 1.17 -1.97 0.39 -2.06 0.00 0.00 179.45 177.13 2h1g n GLU 80 N -3.88 0.65 -0.09 3.15 1.02 -0.40 -4.07 120.64 117.02 2h1g n GLU 80 Ca -0.07 -0.17 -0.10 0.00 -0.02 0.00 0.00 57.16 56.81 2h1g n GLU 80 Cb 0.76 -1.48 0.05 0.00 -0.02 0.00 0.00 31.44 30.75 2h1g n GLU 80 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 2h1g h PHE 81 N 0.00 0.94 -0.08 -0.32 -1.00 -1.67 -1.45 116.94 113.36 2h1g h PHE 81 Ca -0.06 -0.25 -0.04 0.00 2.81 0.00 0.00 57.97 60.43 2h1g h PHE 81 Cb 1.07 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.41 2h1g h PHE 81 CO 0.00 1.02 -0.13 -1.35 -1.61 0.00 0.00 178.31 176.24 2h1g h PRO 82 N 0.68 0.12 -0.19 1.51 0.11 -1.76 -0.89 132.00 131.58 2h1g h PRO 82 Ca 0.07 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 2h1g h PRO 82 Cb 0.86 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 2h1g h PRO 82 CO 0.08 0.25 0.07 1.88 -0.21 0.00 0.00 178.00 180.07 2h1g h TYR 83 N 0.12 0.30 -0.57 0.65 0.05 -1.59 -1.83 116.97 114.10 2h1g h TYR 83 Ca 0.02 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.79 2h1g h TYR 83 Cb 0.30 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 2h1g h TYR 83 CO 0.00 0.36 0.37 0.52 -1.05 0.00 0.00 178.16 178.37 2h1g h MET 84 N 0.15 0.74 -0.25 4.88 2.86 -1.01 -0.06 114.93 122.23 2h1g h MET 84 Ca 0.06 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2h1g h MET 84 Cb 0.20 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2h1g h MET 84 CO -0.00 0.49 -0.02 0.00 1.06 0.00 0.00 176.91 178.44 2h1g h ALA 85 N 1.21 1.50 -0.00 6.32 0.00 -1.13 0.18 119.26 127.35 2h1g h ALA 85 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2h1g h ALA 85 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2h1g h ALA 85 CO -0.05 0.36 -0.03 -0.97 0.00 0.00 0.00 179.25 178.56 2h1g h ASN 86 N 0.37 0.03 -0.80 0.00 -1.24 -0.74 -2.95 115.58 110.25 2h1g h ASN 86 Ca 0.08 -0.73 0.01 0.00 0.71 0.00 0.00 56.30 56.37 2h1g h ASN 86 Cb 0.28 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.28 2h1g h ASN 86 CO 0.01 0.76 0.53 1.56 -1.29 0.00 0.00 177.43 179.00 2h1g h GLN 87 N -0.70 1.05 -0.59 6.67 1.08 -0.98 -2.82 115.11 118.81 2h1g h GLN 87 Ca -0.00 -0.06 0.11 0.00 -1.45 0.00 0.00 58.65 57.24 2h1g h GLN 87 Cb 0.76 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 2h1g h GLN 87 CO 0.01 0.70 0.40 -0.92 -0.95 0.00 0.00 178.83 178.06 2h1g h TYR 88 N 1.08 0.36 -0.39 2.96 3.20 -0.63 0.11 116.97 123.66 2h1g h TYR 88 Ca 0.29 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.22 2h1g h TYR 88 Cb -0.12 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 37.99 2h1g h TYR 88 CO -0.00 0.16 0.15 0.87 -1.64 0.00 0.00 178.16 177.70 2h1g h LYS 89 N 0.33 0.30 0.54 1.82 1.57 -1.32 -1.51 116.57 118.31 2h1g h LYS 89 Ca 0.28 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 2h1g h LYS 89 Cb 0.64 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.89 2h1g h LYS 89 CO -0.07 0.20 -0.26 1.25 -0.57 0.00 0.00 179.45 180.00 2h1g h HIS 90 N 0.31 -0.67 0.00 -1.35 2.76 -1.28 -3.38 115.15 111.55 2h1g h HIS 90 Ca 0.18 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2h1g h HIS 90 Cb 0.15 0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.33 2h1g h HIS 90 CO -0.14 -0.42 0.00 1.19 -1.30 0.00 0.00 177.93 177.26 2h1g n PHE 91 N -4.95 0.55 0.01 5.26 3.72 0.27 -4.12 117.46 118.21 2h1g n PHE 91 Ca -0.09 0.19 -0.11 0.00 -0.05 0.00 0.00 57.45 57.39 2h1g n PHE 91 Cb 0.28 -0.81 -0.06 0.00 -0.94 0.00 0.00 39.48 37.95 2h1g n PHE 91 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2h1g h LYS 92 N 0.00 0.06 -0.07 -1.08 3.64 -1.43 -1.50 116.57 116.20 2h1g h LYS 92 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2h1g h LYS 92 Cb 0.44 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2h1g h LYS 92 CO 0.00 0.04 0.00 -1.13 -2.27 0.00 0.00 179.45 176.09 2h1g n SER 93 N -5.07 0.45 -0.70 4.20 3.41 -1.26 -1.40 113.62 113.26 2h1g n SER 93 Ca -0.06 -1.74 0.13 0.00 -0.26 0.00 0.00 58.87 56.94 2h1g n SER 93 Cb 0.04 -0.04 0.25 0.00 -0.26 0.00 0.00 64.21 64.20 2h1g n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h1g n GLN 94 N -0.38 1.88 -0.85 4.33 1.13 -0.59 -4.96 117.38 117.93 2h1g n GLN 94 Ca 0.09 -1.40 0.00 0.00 -1.94 0.00 0.00 57.00 53.75 2h1g n GLN 94 Cb 0.11 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 28.98 2h1g n GLN 94 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2h1g n GLY 95 N 1.30 1.17 3.65 1.08 0.00 -0.49 -4.27 105.19 107.62 2h1g n GLY 95 Ca 0.15 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2h1g n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h1g s VAL 96 N -2.00 4.01 0.03 1.61 1.01 -1.03 -1.61 120.40 122.43 2h1g s VAL 96 Ca 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.46 2h1g s VAL 96 Cb 0.00 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2h1g s VAL 96 CO 0.00 0.44 -0.14 -0.70 0.00 0.00 0.00 175.10 174.70 2h1g s GLU 97 N -1.33 0.99 0.01 2.72 2.56 0.14 -4.18 118.70 119.61 2h1g s GLU 97 Ca 0.17 -0.74 0.03 0.00 0.00 0.00 0.00 54.97 54.44 2h1g s GLU 97 Cb -0.11 -1.00 -0.03 0.00 2.00 0.00 0.00 34.13 34.99 2h1g s GLU 97 CO 0.07 0.25 -0.06 0.42 -0.56 0.00 0.00 175.26 175.39 2h1g s ILE 98 N -0.78 3.71 -0.28 -3.70 1.01 -1.26 -0.17 121.20 119.73 2h1g s ILE 98 Ca 0.02 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 2h1g s ILE 98 Cb -0.08 -2.64 0.11 0.00 0.01 0.00 0.00 42.46 39.87 2h1g s ILE 98 CO 0.01 0.36 0.17 -0.69 0.00 0.00 0.00 174.94 174.79 2h1g s VAL 99 N -1.04 -0.15 -0.49 2.92 1.01 -0.78 -3.96 120.40 117.91 2h1g s VAL 99 Ca 0.18 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 2h1g s VAL 99 Cb -0.11 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.36 2h1g s VAL 99 CO 0.09 -0.64 0.72 0.00 0.00 0.00 0.00 175.10 175.27 2h1g s ALA 100 N 2.17 3.31 -0.53 5.51 0.00 -0.68 -1.00 121.76 130.54 2h1g s ALA 100 Ca 0.09 -1.42 -0.22 0.00 0.00 0.00 0.00 51.96 50.41 2h1g s ALA 100 Cb -0.15 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.57 2h1g s ALA 100 CO -0.34 -2.04 0.78 0.08 0.00 0.00 0.00 175.76 174.24 2h1g s VAL 101 N 3.05 4.64 0.19 0.00 1.01 0.34 -1.25 120.40 128.39 2h1g s VAL 101 Ca 0.22 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 2h1g s VAL 101 Cb -0.16 -4.42 -0.08 0.00 0.00 0.00 0.00 36.38 31.73 2h1g s VAL 101 CO 0.16 -0.96 1.16 0.21 0.00 0.00 0.00 175.10 175.68 2h1g s ASN 102 N 2.77 7.15 -0.99 3.32 3.84 -0.31 -1.10 114.94 129.61 2h1g s ASN 102 Ca 0.22 2.20 -0.08 0.00 0.21 0.00 0.00 52.86 55.41 2h1g s ASN 102 Cb -0.16 -2.61 -0.14 0.00 -0.55 0.00 0.00 41.25 37.79 2h1g s ASN 102 CO 0.15 -0.31 3.07 0.52 -2.79 0.00 0.00 177.10 177.74 2h1g n VAL 103 N 2.35 3.64 -1.35 -5.21 0.31 0.35 -1.40 118.33 117.02 2h1g n VAL 103 Ca 0.03 -2.07 0.00 0.00 -0.01 0.00 0.00 64.34 62.29 2h1g n VAL 103 Cb 0.45 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 2h1g n VAL 103 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2h1g n GLY 104 N 3.22 0.48 3.93 2.92 0.00 -0.95 -4.90 105.19 109.89 2h1g n GLY 104 Ca 0.63 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 2h1g n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h1g s GLU 105 N -2.76 2.39 0.63 1.61 2.02 -1.26 -4.86 118.70 116.47 2h1g s GLU 105 Ca 0.00 -0.23 -0.12 0.00 0.02 0.00 0.00 54.97 54.64 2h1g s GLU 105 Cb 0.00 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 2h1g s GLU 105 CO 0.00 -1.08 1.04 -1.54 0.02 0.00 0.00 175.26 173.70 2h1g s SER 106 N -4.46 5.93 0.43 -0.19 1.04 -1.26 -4.90 113.70 110.30 2h1g s SER 106 Ca 0.58 1.54 0.11 0.00 0.48 0.00 0.00 55.95 58.67 2h1g s SER 106 Cb -0.11 -2.49 0.98 0.00 0.10 0.00 0.00 66.02 64.50 2h1g s SER 106 CO 0.44 -1.07 2.02 0.50 0.98 0.00 0.00 173.24 176.12 2h1g h LYS 107 N -0.24 0.43 -0.00 4.02 3.64 -2.00 -2.70 116.57 119.71 2h1g h LYS 107 Ca -0.45 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 58.76 2h1g h LYS 107 Cb 1.20 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2h1g h LYS 107 CO 0.60 0.28 -0.57 0.82 -2.27 0.00 0.00 179.45 178.31 2h1g h ILE 108 N 0.44 1.44 -0.40 2.00 5.03 -1.99 -2.02 117.51 122.01 2h1g h ILE 108 Ca 0.21 -2.07 0.08 0.00 -0.12 0.00 0.00 64.86 62.96 2h1g h ILE 108 Cb 0.28 2.62 -0.08 0.00 -3.03 0.00 0.00 36.82 36.61 2h1g h ILE 108 CO -0.05 0.60 -0.16 0.00 -0.68 0.00 0.00 178.15 177.86 2h1g h ALA 109 N 0.31 0.17 0.52 1.87 0.00 -1.87 0.89 119.26 121.15 2h1g h ALA 109 Ca -0.07 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2h1g h ALA 109 Cb 1.29 0.41 0.01 0.00 0.00 0.00 0.00 17.79 19.49 2h1g h ALA 109 CO 0.11 -0.52 -0.25 0.28 0.00 0.00 0.00 179.25 178.88 2h1g h VAL 110 N -0.08 0.48 -0.91 0.00 2.07 -1.52 -1.66 116.25 114.64 2h1g h VAL 110 Ca 0.20 -0.04 0.12 0.00 0.82 0.00 0.00 66.70 67.80 2h1g h VAL 110 Cb 0.38 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 2h1g h VAL 110 CO -0.46 0.01 0.58 -0.74 0.02 0.00 0.00 177.57 176.98 2h1g h HIS 111 N -0.73 0.92 0.03 1.57 6.17 -0.79 0.23 115.15 122.54 2h1g h HIS 111 Ca -0.07 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.03 2h1g h HIS 111 Cb 0.55 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 30.19 2h1g h HIS 111 CO -0.03 0.37 -0.01 -0.91 0.71 0.00 0.00 177.93 178.05 2h1g h ASN 112 N 0.80 -0.03 -0.77 3.26 -0.26 -0.58 -0.89 115.58 117.10 2h1g h ASN 112 Ca 0.44 -0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 2h1g h ASN 112 Cb 0.58 0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.81 2h1g h ASN 112 CO -0.21 0.20 0.49 0.15 -1.06 0.00 0.00 177.43 177.00 2h1g h PHE 113 N -0.26 1.01 -0.52 1.19 3.04 -0.23 0.21 116.94 121.38 2h1g h PHE 113 Ca -0.00 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 2h1g h PHE 113 Cb 0.24 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 2h1g h PHE 113 CO 0.00 0.66 0.19 0.52 -2.02 0.00 0.00 178.31 177.66 2h1g h MET 114 N 1.07 0.78 0.18 1.11 2.86 -0.41 -1.99 114.93 118.53 2h1g h MET 114 Ca 0.28 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2h1g h MET 114 Cb -0.07 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.47 2h1g h MET 114 CO -0.06 0.71 -0.09 -0.22 1.06 0.00 0.00 176.91 178.31 2h1g h LYS 115 N 0.70 -0.23 -0.88 1.72 3.64 -0.57 -0.93 116.57 120.01 2h1g h LYS 115 Ca 0.17 0.02 0.21 0.00 -1.27 0.00 0.00 60.65 59.78 2h1g h LYS 115 Cb 0.23 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 31.98 2h1g h LYS 115 CO -0.01 0.07 0.38 0.77 -2.27 0.00 0.00 179.45 178.38 2h1g h SER 116 N -0.54 0.31 -0.52 4.20 0.02 -0.53 -2.18 113.55 114.30 2h1g h SER 116 Ca -0.02 0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 60.95 2h1g h SER 116 Cb 0.41 0.13 -0.08 0.00 0.14 0.00 0.00 62.40 63.01 2h1g h SER 116 CO 0.04 0.01 0.12 -1.22 -1.14 0.00 0.00 176.83 174.63 2h1g n TYR 117 N -5.05 1.76 -4.11 3.45 4.01 -0.76 -4.98 117.16 111.50 2h1g n TYR 117 Ca 0.21 -1.13 -0.29 0.00 -0.16 0.00 0.00 57.90 56.53 2h1g n TYR 117 Cb 0.63 -0.53 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 2h1g n TYR 117 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2h1g n GLY 118 N -0.35 -0.25 3.74 2.72 0.00 -0.82 -4.35 105.19 105.88 2h1g n GLY 118 Ca 0.33 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 2h1g n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h1g s VAL 119 N -4.10 2.69 -0.11 1.61 1.01 -0.40 -4.87 120.40 116.23 2h1g s VAL 119 Ca 0.05 0.58 0.14 0.00 0.00 0.00 0.00 61.98 62.75 2h1g s VAL 119 Cb -0.02 -3.37 0.28 0.00 0.00 0.00 0.00 36.38 33.27 2h1g s VAL 119 CO 0.94 0.09 1.14 -0.46 0.00 0.00 0.00 175.10 176.81 2h1g n ASN 120 N 2.31 1.58 -4.03 3.32 6.94 -1.26 -4.94 115.26 119.18 2h1g n ASN 120 Ca 0.07 -2.96 -0.08 0.00 -0.02 0.00 0.00 54.58 51.59 2h1g n ASN 120 Cb 0.40 -0.40 -0.10 0.00 -2.36 0.00 0.00 39.78 37.33 2h1g n ASN 120 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 2h1g s PHE 121 N -2.09 0.41 0.06 -2.53 -0.12 -1.26 -5.04 117.98 107.41 2h1g s PHE 121 Ca 0.27 -0.87 -0.31 0.00 -0.05 0.00 0.00 56.93 55.97 2h1g s PHE 121 Cb 0.26 -0.30 -0.10 0.00 -0.63 0.00 0.00 43.02 42.25 2h1g s PHE 121 CO -0.02 -0.36 1.90 -2.30 -0.05 0.00 0.00 175.22 174.39 2h1g n PRO 122 N 0.45 2.75 -5.03 1.99 -0.02 -1.25 -4.92 135.00 128.96 2h1g n PRO 122 Ca -0.16 1.01 -0.32 0.00 -2.02 0.00 0.00 63.50 62.00 2h1g n PRO 122 Cb 0.60 -2.92 -0.15 0.00 -0.02 0.00 0.00 33.50 31.01 2h1g n PRO 122 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2h1g s VAL 123 N 3.64 2.61 0.28 -1.45 1.01 -1.26 -1.69 120.40 123.55 2h1g s VAL 123 Ca 0.86 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 62.06 2h1g s VAL 123 Cb -0.49 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 2h1g s VAL 123 CO 0.41 0.57 -0.10 0.68 0.00 0.00 0.00 175.10 176.65 2h1g s VAL 124 N -0.24 1.94 -0.25 2.92 -7.23 -0.38 -2.16 120.40 114.99 2h1g s VAL 124 Ca 0.00 -2.20 -0.03 0.00 -1.81 0.00 0.00 61.98 57.94 2h1g s VAL 124 Cb -0.13 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.42 2h1g s VAL 124 CO 0.03 -0.34 -0.04 -0.76 -0.31 0.00 0.00 175.10 173.68 2h1g s LEU 125 N -3.47 3.27 -1.19 1.32 1.43 -1.08 -1.16 118.68 117.79 2h1g s LEU 125 Ca 0.29 -0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 52.52 2h1g s LEU 125 Cb 0.01 -1.70 0.23 0.00 0.03 0.00 0.00 46.19 44.75 2h1g s LEU 125 CO 0.13 -0.13 1.77 -0.67 0.23 0.00 0.00 176.35 177.68 2h1g n ASP 126 N 4.71 5.99 -0.13 2.29 2.03 -0.49 -4.53 116.55 126.41 2h1g n ASP 126 Ca -0.16 -3.26 -0.06 0.00 0.52 0.00 0.00 54.79 51.82 2h1g n ASP 126 Cb 0.47 -1.37 0.03 0.00 -0.72 0.00 0.00 41.12 39.53 2h1g n ASP 126 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2h1g h THR 127 N 3.43 0.97 -0.73 5.18 1.35 -1.89 -0.43 112.91 120.79 2h1g h THR 127 Ca 0.36 -0.15 -0.33 0.00 -0.55 0.00 0.00 66.41 65.74 2h1g h THR 127 Cb 0.57 0.50 -0.20 0.00 -1.73 0.00 0.00 68.15 67.30 2h1g h THR 127 CO 1.48 0.08 0.34 -0.90 -0.25 0.00 0.00 175.52 176.27 2h1g n ASP 128 N -4.91 3.70 -0.46 5.36 5.68 -1.26 -4.48 116.55 120.18 2h1g n ASP 128 Ca 0.02 -3.52 -0.06 0.00 -0.50 0.00 0.00 54.79 50.73 2h1g n ASP 128 Cb 0.11 -0.75 -0.03 0.00 -1.14 0.00 0.00 41.12 39.31 2h1g n ASP 128 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2h1g n ARG 129 N -0.86 -0.95 -0.08 0.11 1.74 -0.21 -4.88 116.66 111.53 2h1g n ARG 129 Ca 0.46 0.60 -0.13 0.00 -0.77 0.00 0.00 57.85 58.02 2h1g n ARG 129 Cb 1.40 -4.51 -0.01 0.00 -1.02 0.00 0.00 32.46 28.32 2h1g n ARG 129 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2h1g h GLN 130 N 0.22 0.84 -0.62 5.56 4.20 -1.93 -2.87 115.11 120.50 2h1g h GLN 130 Ca -0.12 -0.48 -0.06 0.00 0.06 0.00 0.00 58.65 58.05 2h1g h GLN 130 Cb 0.66 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 2h1g h GLN 130 CO 0.18 1.12 0.16 0.28 -0.67 0.00 0.00 178.83 179.90 2h1g h VAL 131 N 0.66 1.24 -0.56 -0.54 2.07 -1.92 0.39 116.25 117.60 2h1g h VAL 131 Ca 0.03 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 66.74 2h1g h VAL 131 Cb 1.06 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 2h1g h VAL 131 CO 0.11 0.33 0.25 0.25 0.02 0.00 0.00 177.57 178.53 2h1g h LEU 132 N 0.92 0.31 -0.41 2.57 5.85 -1.92 -0.61 115.31 122.03 2h1g h LEU 132 Ca 0.20 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.79 2h1g h LEU 132 Cb 0.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2h1g h LEU 132 CO -0.00 0.21 -0.78 0.44 -0.34 0.00 0.00 178.44 177.97 2h1g h ASP 133 N 0.47 0.26 0.04 1.25 3.32 -1.11 0.10 116.42 120.74 2h1g h ASP 133 Ca 0.27 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 2h1g h ASP 133 Cb 0.25 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2h1g h ASP 133 CO -0.23 0.94 -0.12 0.00 -1.72 0.00 0.00 179.24 178.11 2h1g h ALA 134 N 1.05 1.57 -0.01 3.45 0.00 0.14 -2.76 119.26 122.70 2h1g h ALA 134 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2h1g h ALA 134 Cb 1.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2h1g h ALA 134 CO 0.12 0.31 -0.50 0.66 0.00 0.00 0.00 179.25 179.85 2h1g n TYR 135 N -4.30 0.00 -2.25 0.00 4.02 -0.27 -4.91 117.16 109.45 2h1g n TYR 135 Ca -0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.71 2h1g n TYR 135 Cb 0.25 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 39.53 2h1g n TYR 135 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2h1g n ASP 136 N -0.35 -5.06 -4.77 7.72 -0.08 -0.05 -4.94 116.55 109.02 2h1g n ASP 136 Ca 0.09 0.02 -0.38 0.00 -1.51 0.00 0.00 54.79 53.02 2h1g n ASP 136 Cb 0.43 -4.14 -0.06 0.00 2.34 0.00 0.00 41.12 39.69 2h1g n ASP 136 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2h1g s VAL 137 N -2.84 4.22 0.00 5.18 1.01 -1.00 -5.01 120.40 121.96 2h1g s VAL 137 Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.82 2h1g s VAL 137 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2h1g s VAL 137 CO 0.00 0.30 0.00 -1.54 0.00 0.00 0.00 175.10 173.86 2h1g n SER 138 N 0.96 0.00 -3.96 3.32 3.41 -1.26 -4.92 113.62 111.18 2h1g n SER 138 Ca -0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2h1g n SER 138 Cb 0.49 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.48 2h1g n SER 138 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2h1g n PRO 139 N 0.00 -0.21 -3.87 4.33 -0.02 -1.26 -5.15 135.00 128.82 2h1g n PRO 139 Ca 0.00 -0.06 -0.12 0.00 -2.02 0.00 0.00 63.50 61.30 2h1g n PRO 139 Cb 0.00 -1.07 -0.13 0.00 -0.02 0.00 0.00 33.50 32.28 2h1g n PRO 139 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2h1g s LEU 140 N 6.98 1.85 1.25 2.45 1.43 -1.26 -4.23 118.68 127.15 2h1g s LEU 140 Ca 0.30 0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 53.27 2h1g s LEU 140 Cb 0.06 0.18 0.32 0.00 0.03 0.00 0.00 46.19 46.78 2h1g s LEU 140 CO 0.51 -0.06 0.99 -2.16 0.23 0.00 0.00 176.35 175.87 2h1g s PRO 141 N -0.19 -1.59 -0.08 1.29 0.04 -1.26 -4.90 135.00 128.30 2h1g s PRO 141 Ca -0.02 0.71 -0.05 0.00 0.04 0.00 0.00 61.00 61.68 2h1g s PRO 141 Cb -0.02 -1.48 0.03 0.00 0.04 0.00 0.00 34.50 33.07 2h1g s PRO 141 CO 0.00 -4.14 0.19 0.99 0.04 0.00 0.00 177.00 174.08 2h1g s THR 142 N -2.35 -0.02 -0.12 1.26 2.01 -0.93 -4.22 115.64 111.28 2h1g s THR 142 Ca 0.69 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.76 2h1g s THR 142 Cb -0.24 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 2h1g s THR 142 CO 0.65 0.03 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.63 2h1g s THR 143 N 0.62 3.45 -0.19 -0.82 2.01 0.59 -0.03 115.64 121.26 2h1g s THR 143 Ca -0.04 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 2h1g s THR 143 Cb -0.06 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 2h1g s THR 143 CO -0.03 0.54 0.04 -0.36 -0.69 0.00 0.00 174.62 174.11 2h1g s PHE 144 N 0.02 3.15 -0.34 4.92 0.40 0.19 0.26 117.98 126.58 2h1g s PHE 144 Ca -0.02 -0.14 -0.17 0.00 -0.60 0.00 0.00 56.93 56.00 2h1g s PHE 144 Cb -0.14 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.30 2h1g s PHE 144 CO 0.03 -0.02 0.45 -0.51 0.70 0.00 0.00 175.22 175.88 2h1g s LEU 145 N 0.65 4.34 -0.18 -0.37 1.43 -0.50 -0.58 118.68 123.47 2h1g s LEU 145 Ca 0.02 -0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2h1g s LEU 145 Cb -0.14 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 2h1g s LEU 145 CO 0.02 -0.40 -0.04 -0.63 0.23 0.00 0.00 176.35 175.53 2h1g s ILE 146 N 2.23 3.67 0.91 -0.59 1.01 0.05 -0.83 121.20 127.65 2h1g s ILE 146 Ca 0.16 -0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.27 2h1g s ILE 146 Cb -0.16 -2.64 0.14 0.00 0.01 0.00 0.00 42.46 39.81 2h1g s ILE 146 CO 0.12 0.46 1.14 0.54 0.00 0.00 0.00 174.94 177.20 2h1g s ASN 147 N 0.86 3.56 0.66 3.58 2.20 -0.37 -0.02 114.94 125.41 2h1g s ASN 147 Ca -0.01 0.94 0.39 0.00 -0.94 0.00 0.00 52.86 53.24 2h1g s ASN 147 Cb -0.15 -1.50 2.14 0.00 -2.00 0.00 0.00 41.25 39.75 2h1g s ASN 147 CO 0.01 -2.52 2.24 -0.65 -2.94 0.00 0.00 177.10 173.25 2h1g h PRO 148 N -1.47 0.00 0.00 3.55 0.11 -1.77 -0.21 132.00 132.21 2h1g h PRO 148 Ca -0.50 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 2h1g h PRO 148 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 2h1g h PRO 148 CO 0.62 0.00 -0.67 0.93 -0.21 0.00 0.00 178.00 178.67 2h1g h GLU 149 N 0.00 0.00 0.00 1.05 3.07 -1.92 -2.32 114.58 114.46 2h1g h GLU 149 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2h1g h GLU 149 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2h1g h GLU 149 CO -0.00 0.62 0.00 0.41 -1.40 0.00 0.00 179.01 178.64 2h1g n GLY 150 N 1.26 1.42 3.79 -3.84 0.00 -0.09 -4.98 105.19 102.75 2h1g n GLY 150 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2h1g n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1g s LYS 151 N -0.05 2.93 -0.29 1.61 -0.14 -1.26 -2.44 119.74 120.09 2h1g s LYS 151 Ca 0.00 -0.70 -0.29 0.00 -1.36 0.00 0.00 55.97 53.62 2h1g s LYS 151 Cb 0.00 -2.74 0.01 0.00 -1.68 0.00 0.00 37.83 33.42 2h1g s LYS 151 CO 0.00 0.55 1.20 0.08 -0.76 0.00 0.00 175.35 176.42 2h1g s VAL 152 N -1.46 4.32 -1.35 3.17 1.01 -0.63 -1.24 120.40 124.22 2h1g s VAL 152 Ca 0.30 1.52 0.24 0.00 0.00 0.00 0.00 61.98 64.04 2h1g s VAL 152 Cb -0.12 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.02 2h1g s VAL 152 CO 0.23 -0.44 1.28 1.33 0.00 0.00 0.00 175.10 177.49 2h1g n VAL 153 N 5.97 0.00 -3.55 2.92 0.24 -0.01 -4.16 118.33 119.74 2h1g n VAL 153 Ca 0.13 -0.07 0.03 0.00 -2.04 0.00 0.00 64.34 62.39 2h1g n VAL 153 Cb 0.47 0.63 -0.06 0.00 -1.47 0.00 0.00 33.84 33.41 2h1g n VAL 153 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2h1g s LYS 154 N -2.80 0.04 -0.22 7.34 2.47 -1.25 -5.01 119.74 120.32 2h1g s LYS 154 Ca 0.15 0.08 -0.08 0.00 -1.56 0.00 0.00 55.97 54.56 2h1g s LYS 154 Cb 0.18 0.02 -0.04 0.00 -1.46 0.00 0.00 37.83 36.53 2h1g s LYS 154 CO 0.68 -0.01 0.08 0.08 0.16 0.00 0.00 175.35 176.33 2h1g s VAL 155 N 1.26 4.62 -0.13 4.02 1.01 -1.26 -1.42 120.40 128.50 2h1g s VAL 155 Ca -0.06 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2h1g s VAL 155 Cb -0.02 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 2h1g s VAL 155 CO -0.11 0.39 -0.17 -0.69 0.00 0.00 0.00 175.10 174.52 2h1g s VAL 156 N 1.03 2.63 -0.03 2.92 1.01 0.14 -4.99 120.40 123.11 2h1g s VAL 156 Ca 0.04 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 2h1g s VAL 156 Cb -0.14 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2h1g s VAL 156 CO 0.03 0.53 0.09 0.28 0.00 0.00 0.00 175.10 176.04 2h1g s THR 157 N 0.48 0.02 0.00 3.92 -1.32 -1.26 -0.30 115.64 117.18 2h1g s THR 157 Ca -0.12 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 2h1g s THR 157 Cb -0.16 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 2h1g s THR 157 CO 0.05 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 2h1g n GLY 158 N 2.71 0.02 3.83 6.08 0.00 -1.26 -4.96 105.19 111.61 2h1g n GLY 158 Ca -0.15 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 2h1g n GLY 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h1g s THR 159 N 0.00 5.37 -0.13 2.61 2.01 -1.26 -4.80 115.64 119.45 2h1g s THR 159 Ca 0.00 0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.41 2h1g s THR 159 Cb 0.00 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 69.01 2h1g s THR 159 CO 0.00 0.56 -0.22 -0.04 -0.69 0.00 0.00 174.62 174.23 2h1g s MET 160 N -0.67 3.04 0.63 4.92 1.00 -1.26 -5.11 119.30 121.84 2h1g s MET 160 Ca 0.16 -0.86 -0.14 0.00 0.00 0.00 0.00 55.69 54.85 2h1g s MET 160 Cb -0.13 -2.40 -0.02 0.00 0.00 0.00 0.00 34.83 32.28 2h1g s MET 160 CO 0.05 0.05 1.06 0.95 0.00 0.00 0.00 175.02 177.13 2h1g s THR 161 N 0.65 3.87 0.18 2.05 -4.23 -1.26 -4.88 115.64 112.02 2h1g s THR 161 Ca -0.11 0.79 -0.11 0.00 -1.18 0.00 0.00 61.69 61.08 2h1g s THR 161 Cb -0.16 -3.37 0.10 0.00 1.34 0.00 0.00 72.50 70.40 2h1g s THR 161 CO 0.02 -0.61 1.76 -0.08 -0.54 0.00 0.00 174.62 175.17 2h1g h GLU 162 N 0.04 0.95 -0.92 3.99 4.81 -1.97 -0.59 114.58 120.90 2h1g h GLU 162 Ca -0.46 -0.15 0.15 0.00 -0.13 0.00 0.00 59.36 58.78 2h1g h GLU 162 Cb 1.22 -0.17 -0.15 0.00 0.63 0.00 0.00 28.75 30.28 2h1g h GLU 162 CO 0.57 0.76 -0.32 0.45 -0.73 0.00 0.00 179.01 179.74 2h1g n SER 163 N -4.46 -0.52 -0.06 1.04 2.88 -1.26 -0.60 113.62 110.64 2h1g n SER 163 Ca 0.05 1.59 -0.11 0.00 -1.33 0.00 0.00 58.87 59.06 2h1g n SER 163 Cb 0.14 -0.40 -0.05 0.00 -0.75 0.00 0.00 64.21 63.15 2h1g n SER 163 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2h1g h MET 164 N 0.00 0.30 -0.76 -1.46 2.86 -1.60 -2.44 114.93 111.83 2h1g h MET 164 Ca 0.35 -0.08 0.11 0.00 -2.06 0.00 0.00 59.70 58.02 2h1g h MET 164 Cb 0.58 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.13 2h1g h MET 164 CO -0.92 0.48 0.38 0.82 1.06 0.00 0.00 176.91 178.73 2h1g h ILE 165 N 0.08 0.81 -0.33 -1.22 2.04 -0.50 -0.25 117.51 118.14 2h1g h ILE 165 Ca 0.05 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2h1g h ILE 165 Cb 0.33 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2h1g h ILE 165 CO 0.00 0.11 0.18 -0.74 0.00 0.00 0.00 178.15 177.71 2h1g h HIS 166 N 0.61 0.44 -0.74 1.37 2.76 -0.75 -0.56 115.15 118.29 2h1g h HIS 166 Ca 0.39 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.56 2h1g h HIS 166 Cb 0.46 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.23 2h1g h HIS 166 CO -0.11 0.35 0.48 -0.44 -1.30 0.00 0.00 177.93 176.91 2h1g h ASP 167 N 0.41 0.81 -0.53 3.26 3.32 -0.65 -0.65 116.42 122.40 2h1g h ASP 167 Ca 0.12 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 2h1g h ASP 167 Cb 0.05 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2h1g h ASP 167 CO -0.02 0.58 0.13 1.88 -1.72 0.00 0.00 179.24 180.09 2h1g h TYR 168 N 0.96 0.89 -0.66 4.55 0.05 -0.93 -0.26 116.97 121.57 2h1g h TYR 168 Ca 0.28 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.96 2h1g h TYR 168 Cb -0.07 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.39 2h1g h TYR 168 CO -0.03 0.78 0.42 0.52 -1.05 0.00 0.00 178.16 178.80 2h1g h MET 169 N 0.74 0.88 -0.20 4.88 2.86 -0.65 -2.59 114.93 120.86 2h1g h MET 169 Ca 0.17 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2h1g h MET 169 Cb 0.34 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2h1g h MET 169 CO 0.00 0.60 0.06 -0.91 1.06 0.00 0.00 176.91 177.72 2h1g h ASN 170 N 0.90 0.06 -1.06 1.22 2.35 -0.07 -2.18 115.58 116.80 2h1g h ASN 170 Ca 0.24 0.02 0.31 0.00 -0.55 0.00 0.00 56.30 56.32 2h1g h ASN 170 Cb -0.08 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 2h1g h ASN 170 CO -0.05 0.06 0.78 0.25 -1.65 0.00 0.00 177.43 176.82 2h1g h LEU 171 N 0.15 0.00 -0.58 1.61 5.85 -0.71 -2.71 115.31 118.92 2h1g h LEU 171 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2h1g h LEU 171 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2h1g h LEU 171 CO -0.10 0.00 -0.16 2.30 -0.34 0.00 0.00 178.44 180.15 2h1g n ILE 172 N -4.17 0.00 -2.12 4.05 -5.35 -1.06 -4.99 119.36 105.72 2h1g n ILE 172 Ca 0.22 -0.42 -0.40 0.00 -0.27 0.00 0.00 62.75 61.89 2h1g n ILE 172 Cb 1.14 1.07 -0.01 0.00 -1.74 0.00 0.00 39.64 40.09 2h1g n ILE 172 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2h1g s LYS 173 N -1.12 4.10 0.16 6.28 -2.85 -0.84 -3.99 119.74 121.48 2h1g s LYS 173 Ca 0.05 2.11 -0.28 0.00 -1.00 0.00 0.00 55.97 56.85 2h1g s LYS 173 Cb 0.05 -2.84 -0.01 0.00 -2.06 0.00 0.00 37.83 32.98 2h1g s LYS 173 CO 0.18 -0.36 1.56 -1.00 0.10 0.00 0.00 175.35 175.82 2h1g h PRO 174 N 2.89 -0.25 -0.01 1.78 0.13 -1.77 -3.48 132.00 131.28 2h1g h PRO 174 Ca -0.49 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2h1g h PRO 174 Cb 1.24 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2h1g h PRO 174 CO 0.63 -0.17 0.00 0.41 -0.23 0.00 0.00 178.00 178.65