#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1g n ASP 41 N 0.00 2.67 -4.65 -3.46 8.00 -1.26 -1.53 116.55 116.33 2h1g n ASP 41 Ca 0.00 1.17 -0.40 0.00 0.71 0.00 0.00 54.79 56.28 2h1g n ASP 41 Cb 0.00 -1.45 -0.07 0.00 -0.02 0.00 0.00 41.12 39.59 2h1g n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h1g s ALA 42 N -0.60 3.56 0.06 2.24 0.00 -0.96 -4.76 121.76 121.30 2h1g s ALA 42 Ca 0.62 -0.43 -0.32 0.00 0.00 0.00 0.00 51.96 51.83 2h1g s ALA 42 Cb -0.61 -2.88 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 2h1g s ALA 42 CO 0.56 -0.56 1.84 -2.30 0.00 0.00 0.00 175.76 175.30 2h1g n PRO 43 N 5.09 2.56 -1.94 0.00 -0.02 -1.26 -4.96 135.00 134.46 2h1g n PRO 43 Ca -0.04 0.93 -0.33 0.00 -2.02 0.00 0.00 63.50 62.05 2h1g n PRO 43 Cb 0.50 -2.81 0.02 0.00 -0.02 0.00 0.00 33.50 31.19 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 3.17 5.54 -0.01 2.55 3.84 -1.26 -4.99 114.94 123.78 2h1g s ASN 44 Ca 0.86 1.88 -0.28 0.00 0.21 0.00 0.00 52.86 55.53 2h1g s ASN 44 Cb -0.56 -2.54 0.09 0.00 -0.55 0.00 0.00 41.25 37.69 2h1g s ASN 44 CO 0.42 -1.33 0.76 0.72 -2.79 0.00 0.00 177.10 174.88 2h1g s PHE 45 N -2.41 -0.51 -0.12 0.43 -0.12 -1.26 -4.98 117.98 109.01 2h1g s PHE 45 Ca 0.65 0.64 -0.00 0.00 -0.05 0.00 0.00 56.93 58.16 2h1g s PHE 45 Cb -0.18 0.48 0.02 0.00 -0.63 0.00 0.00 43.02 42.72 2h1g s PHE 45 CO 0.39 -0.61 -0.08 0.08 -0.05 0.00 0.00 175.22 174.95 2h1g s VAL 46 N -2.23 1.07 0.16 -2.49 1.01 -1.26 -2.12 120.40 114.54 2h1g s VAL 46 Ca -0.03 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.65 2h1g s VAL 46 Cb -0.01 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2h1g s VAL 46 CO -0.01 0.37 -0.03 -0.76 0.00 0.00 0.00 175.10 174.67 2h1g s LEU 47 N 1.69 2.25 0.06 3.92 1.43 -1.04 -4.97 118.68 122.02 2h1g s LEU 47 Ca 0.05 -1.12 -0.19 0.00 -1.03 0.00 0.00 54.13 51.83 2h1g s LEU 47 Cb -0.13 -0.12 -0.06 0.00 0.03 0.00 0.00 46.19 45.91 2h1g s LEU 47 CO -0.08 -0.51 0.56 -1.61 0.23 0.00 0.00 176.35 174.94 2h1g s GLU 48 N -3.87 4.20 0.24 1.70 2.02 -1.26 -0.97 118.70 120.76 2h1g s GLU 48 Ca 0.21 0.71 -0.04 0.00 0.02 0.00 0.00 54.97 55.87 2h1g s GLU 48 Cb 0.05 -3.25 0.06 0.00 0.10 0.00 0.00 34.13 31.09 2h1g s GLU 48 CO 0.02 0.60 0.26 -0.40 0.02 0.00 0.00 175.26 175.77 2h1g n ASP 49 N 1.88 -0.65 -1.00 -0.19 5.68 0.48 -2.56 116.55 120.19 2h1g n ASP 49 Ca -0.10 -0.86 -0.02 0.00 -0.50 0.00 0.00 54.79 53.31 2h1g n ASP 49 Cb 0.51 -0.22 0.02 0.00 -1.14 0.00 0.00 41.12 40.29 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 -2.72 0.98 -2.76 2.12 -2.24 -1.01 -2.39 114.28 106.25 2h1g n THR 50 Ca 0.03 -0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 61.61 2h1g n THR 50 Cb 0.13 -0.83 0.04 0.00 -2.10 0.00 0.00 70.33 67.57 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 0.27 1.63 -1.00 3.42 3.02 -1.26 -4.97 115.26 116.37 2h1g n ASN 51 Ca 0.05 -2.28 -0.10 0.00 -0.03 0.00 0.00 54.58 52.21 2h1g n ASN 51 Cb 0.55 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 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 -0.44 1.00 3.67 7.41 0.00 -1.00 -4.94 105.19 110.88 2h1g n GLY 52 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.72 4.19 -0.07 1.61 2.20 -1.26 -4.81 119.74 118.89 2h1g s LYS 53 Ca 0.00 0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.64 2h1g s LYS 53 Cb 0.00 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 2h1g s LYS 53 CO 0.00 -0.09 1.22 1.03 -0.36 0.00 0.00 175.35 177.15 2h1g s ARG 54 N 1.46 4.33 -0.16 4.03 0.52 -1.26 -0.39 118.95 127.48 2h1g s ARG 54 Ca 0.22 1.68 0.01 0.00 -0.52 0.00 0.00 55.73 57.12 2h1g s ARG 54 Cb -0.15 -3.58 0.01 0.00 0.52 0.00 0.00 34.95 31.74 2h1g s ARG 54 CO 0.09 -0.49 -0.18 0.42 0.02 0.00 0.00 175.30 175.17 2h1g s ILE 55 N 2.39 2.37 -0.12 1.52 1.01 -0.14 -4.95 121.20 123.27 2h1g s ILE 55 Ca 0.56 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 60.35 2h1g s ILE 55 Cb -0.25 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 2h1g s ILE 55 CO 0.21 0.53 -0.14 -0.70 0.00 0.00 0.00 174.94 174.84 2h1g s GLU 56 N 1.00 3.30 0.34 2.79 2.12 -1.26 -2.48 118.70 124.51 2h1g s GLU 56 Ca -0.02 -0.69 0.04 0.00 0.36 0.00 0.00 54.97 54.65 2h1g s GLU 56 Cb -0.15 -2.60 0.61 0.00 0.26 0.00 0.00 34.13 32.26 2h1g s GLU 56 CO -0.04 0.25 1.91 1.25 -0.54 0.00 0.00 175.26 178.09 2h1g h LEU 57 N 6.58 0.57 -1.60 2.70 5.85 -1.81 0.21 115.31 127.80 2h1g h LEU 57 Ca -0.27 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 2h1g h LEU 57 Cb 1.21 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 2h1g h LEU 57 CO 0.55 0.56 -0.11 0.77 -0.34 0.00 0.00 178.44 179.87 2h1g h SER 58 N 0.61 0.00 0.01 1.25 4.64 -1.95 -1.77 113.55 116.33 2h1g h SER 58 Ca 0.14 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2h1g h SER 58 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2h1g h SER 58 CO -0.01 0.11 -0.00 0.44 -0.87 0.00 0.00 176.83 176.50 2h1g h ASP 59 N 0.00 0.00 -0.28 4.97 3.32 -0.97 -2.62 116.42 120.84 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 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 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 -4.28 2.01 -4.70 1.55 4.77 -0.67 -4.87 117.00 110.83 2h1g n LEU 60 Ca -0.03 -1.01 -0.44 0.00 -0.03 0.00 0.00 56.01 54.50 2h1g n LEU 60 Cb 0.09 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2h1g n LEU 60 CO 0.32 0.40 1.15 0.29 -1.33 0.00 0.00 177.39 178.22 2h1g n LYS 61 N 0.33 2.33 0.00 3.23 5.02 -0.99 -1.41 118.16 126.68 2h1g n LYS 61 Ca 0.10 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 2h1g n LYS 61 Cb 0.37 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 32.82 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 2.55 2.08 3.86 0.72 0.00 -1.01 -5.07 105.19 108.32 2h1g n GLY 62 Ca 0.12 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 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 3.12 0.23 1.61 1.02 -0.50 -4.73 119.74 120.49 2h1g s LYS 63 Ca 0.00 -0.78 -0.29 0.00 0.02 0.00 0.00 55.97 54.92 2h1g s LYS 63 Cb 0.00 -2.77 -0.09 0.00 -0.52 0.00 0.00 37.83 34.46 2h1g s LYS 63 CO 0.00 0.49 0.92 0.20 -0.92 0.00 0.00 175.35 176.04 2h1g s GLY 64 N -3.24 3.09 -0.15 -3.33 0.00 -0.67 -3.92 107.32 99.11 2h1g s GLY 64 Ca 0.32 0.59 0.02 0.00 0.00 0.00 0.00 44.72 45.65 2h1g s GLY 64 CO 0.26 1.15 -0.21 0.14 0.00 0.00 0.00 173.10 174.43 2h1g s VAL 65 N -1.18 2.04 -0.96 1.40 1.01 -0.11 -0.33 120.40 122.27 2h1g s VAL 65 Ca 0.41 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 2h1g s VAL 65 Cb -0.26 -1.82 0.13 0.00 0.00 0.00 0.00 36.38 34.44 2h1g s VAL 65 CO 0.31 0.54 1.17 0.12 0.00 0.00 0.00 175.10 177.24 2h1g s PHE 66 N 1.00 3.13 -0.54 5.22 2.19 0.72 -0.88 117.98 128.82 2h1g s PHE 66 Ca -0.03 -1.43 -0.22 0.00 0.33 0.00 0.00 56.93 55.58 2h1g s PHE 66 Cb -0.15 -4.30 0.05 0.00 -1.31 0.00 0.00 43.02 37.31 2h1g s PHE 66 CO -0.06 -1.50 0.81 -1.17 1.83 0.00 0.00 175.22 175.13 2h1g s LEU 67 N 2.69 4.50 -0.22 6.12 2.96 -0.35 -1.41 118.68 132.98 2h1g s LEU 67 Ca 0.34 -0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2h1g s LEU 67 Cb -0.04 -2.64 0.02 0.00 0.50 0.00 0.00 46.19 44.03 2h1g s LEU 67 CO -0.09 -1.10 -0.11 0.21 -1.32 0.00 0.00 176.35 173.95 2h1g s ASN 68 N 2.84 3.92 -0.02 3.68 3.84 -0.21 0.48 114.94 129.48 2h1g s ASN 68 Ca 0.23 -0.72 -0.18 0.00 0.21 0.00 0.00 52.86 52.40 2h1g s ASN 68 Cb -0.16 -1.61 -0.05 0.00 -0.55 0.00 0.00 41.25 38.88 2h1g s ASN 68 CO 0.15 -0.06 0.51 -0.36 -2.79 0.00 0.00 177.10 174.55 2h1g s PHE 69 N 1.34 3.68 0.22 0.43 0.40 0.28 0.17 117.98 124.50 2h1g s PHE 69 Ca 0.03 1.08 -0.19 0.00 -0.60 0.00 0.00 56.93 57.25 2h1g s PHE 69 Cb -0.15 -2.49 0.03 0.00 0.51 0.00 0.00 43.02 40.92 2h1g s PHE 69 CO -0.07 0.43 0.60 1.67 0.70 0.00 0.00 175.22 178.55 2h1g s TRP 70 N -0.41 -0.16 0.14 0.36 1.48 0.00 -2.56 118.94 117.80 2h1g s TRP 70 Ca 0.27 -0.20 -0.06 0.00 -1.06 0.00 0.00 56.10 55.05 2h1g s TRP 70 Cb -0.17 0.51 -0.02 0.00 -1.16 0.00 0.00 33.47 32.62 2h1g s TRP 70 CO 0.15 -1.02 0.20 0.20 -4.06 0.00 0.00 176.95 172.41 2h1g s GLY 71 N -2.88 0.59 0.43 3.67 0.00 -1.26 -0.83 107.32 107.04 2h1g s GLY 71 Ca 0.10 -1.04 0.23 0.00 0.00 0.00 0.00 44.72 44.01 2h1g s GLY 71 CO 0.00 -1.00 1.83 -0.91 0.00 0.00 0.00 173.10 173.02 2h1g h THR 72 N 2.68 0.62 0.00 0.90 1.35 -1.97 -2.91 112.91 113.58 2h1g h THR 72 Ca -0.33 -1.15 -0.07 0.00 -0.55 0.00 0.00 66.41 64.31 2h1g h THR 72 Cb 1.21 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.38 2h1g h THR 72 CO 0.53 0.24 -0.33 4.11 -0.25 0.00 0.00 175.52 179.81 2h1g h TRP 73 N 0.00 0.00 -2.56 4.73 0.09 -2.01 -3.44 115.95 112.76 2h1g h TRP 73 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 58.89 58.40 2h1g h TRP 73 Cb 0.74 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.96 2h1g h TRP 73 CO 0.00 0.33 1.30 0.00 0.09 0.00 0.00 178.44 180.16 2h1g s ALA 74 N -3.74 2.89 0.38 0.11 0.00 -1.10 -4.92 121.76 115.38 2h1g s ALA 74 Ca -0.01 0.39 0.10 0.00 0.00 0.00 0.00 51.96 52.44 2h1g s ALA 74 Cb 0.11 -4.01 0.78 0.00 0.00 0.00 0.00 23.12 20.00 2h1g s ALA 74 CO 0.67 -2.58 1.91 0.93 0.00 0.00 0.00 175.76 176.69 2h1g h GLU 75 N 13.03 0.22 -0.71 0.00 4.39 -1.90 -2.08 114.58 127.54 2h1g h GLU 75 Ca -0.35 -0.05 0.13 0.00 0.34 0.00 0.00 59.36 59.43 2h1g h GLU 75 Cb 1.18 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.71 2h1g h GLU 75 CO 1.01 0.38 0.25 -1.35 -1.16 0.00 0.00 179.01 178.14 2h1g h PRO 76 N 0.21 0.37 0.00 2.33 0.11 -1.92 -0.86 132.00 132.24 2h1g h PRO 76 Ca 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2h1g h PRO 76 Cb 0.40 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2h1g h PRO 76 CO 0.02 0.25 0.06 0.00 -0.21 0.00 0.00 178.00 178.13 2h1g n ALA 77 N -2.54 0.93 0.04 -0.75 0.00 -0.78 0.22 120.51 117.63 2h1g n ALA 77 Ca 0.13 0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.65 2h1g n ALA 77 Cb 0.39 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 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 0.00 0.08 0.00 1.57 -1.23 -2.79 116.57 114.20 2h1g h LYS 78 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2h1g h LYS 78 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2h1g h LYS 78 CO 0.00 0.61 -1.13 -0.22 -0.57 0.00 0.00 179.45 178.13 2h1g h LYS 79 N 0.00 0.18 0.00 3.15 1.63 -0.18 -3.40 116.57 117.95 2h1g h LYS 79 Ca -0.13 -0.30 -0.08 0.00 -0.85 0.00 0.00 60.65 59.28 2h1g h LYS 79 Cb 1.76 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 33.48 2h1g h LYS 79 CO 0.09 1.13 -2.03 0.39 -3.45 0.00 0.00 179.45 175.57 2h1g n GLU 80 N -3.49 0.68 -0.10 1.90 1.02 -0.02 -4.01 120.64 116.64 2h1g n GLU 80 Ca -0.05 -0.15 -0.06 0.00 -0.02 0.00 0.00 57.16 56.88 2h1g n GLU 80 Cb 0.98 -1.49 0.12 0.00 -0.02 0.00 0.00 31.44 31.02 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 0.86 -0.12 -0.32 -1.00 -1.70 -1.87 116.94 112.79 2h1g h PHE 81 Ca -0.12 -0.17 -0.05 0.00 2.81 0.00 0.00 57.97 60.44 2h1g h PHE 81 Cb 1.24 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.57 2h1g h PHE 81 CO 0.00 0.87 -0.14 -1.35 -1.61 0.00 0.00 178.31 176.07 2h1g h PRO 82 N 0.70 0.19 -0.13 1.51 0.11 -1.76 -0.67 132.00 131.95 2h1g h PRO 82 Ca 0.11 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 2h1g h PRO 82 Cb 0.62 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 2h1g h PRO 82 CO 0.04 0.34 0.06 1.88 -0.21 0.00 0.00 178.00 180.12 2h1g h TYR 83 N 0.18 0.19 -0.18 0.65 0.05 -1.58 -1.58 116.97 114.70 2h1g h TYR 83 Ca 0.04 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2h1g h TYR 83 Cb 0.37 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 2h1g h TYR 83 CO 0.00 0.24 0.11 0.52 -1.05 0.00 0.00 178.16 177.98 2h1g h MET 84 N 0.08 0.24 -0.76 4.88 2.86 -1.23 -0.71 114.93 120.29 2h1g h MET 84 Ca 0.04 -0.02 0.16 0.00 -2.06 0.00 0.00 59.70 57.82 2h1g h MET 84 Cb 0.12 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 2h1g h MET 84 CO -0.01 0.19 0.51 0.00 1.06 0.00 0.00 176.91 178.66 2h1g h ALA 85 N 1.04 2.16 0.01 6.32 0.00 -1.06 0.41 119.26 128.14 2h1g h ALA 85 Ca 0.07 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2h1g h ALA 85 Cb 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2h1g h ALA 85 CO -0.01 -0.37 -0.28 -0.97 0.00 0.00 0.00 179.25 177.62 2h1g h ASN 86 N 0.38 0.23 0.12 0.00 -1.24 -0.56 -2.99 115.58 111.52 2h1g h ASN 86 Ca 0.37 -0.82 -0.08 0.00 0.71 0.00 0.00 56.30 56.48 2h1g h ASN 86 Cb 0.90 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.87 2h1g h ASN 86 CO -0.12 1.02 -0.28 1.56 -1.29 0.00 0.00 177.43 178.32 2h1g h GLN 87 N -0.54 0.26 0.00 6.67 1.08 -1.03 -2.93 115.11 118.62 2h1g h GLN 87 Ca -0.04 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 2h1g h GLN 87 Cb 1.08 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.49 2h1g h GLN 87 CO 0.05 0.53 -0.04 -0.92 -0.95 0.00 0.00 178.83 177.51 2h1g h TYR 88 N 0.23 0.00 -0.81 2.96 3.20 -0.14 0.22 116.97 122.64 2h1g h TYR 88 Ca 0.03 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2h1g h TYR 88 Cb 0.63 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 2h1g h TYR 88 CO 0.01 0.04 0.37 0.87 -1.64 0.00 0.00 178.16 177.81 2h1g h LYS 89 N 0.00 1.17 0.11 1.82 1.57 -1.37 -2.00 116.57 117.89 2h1g h LYS 89 Ca -0.00 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2h1g h LYS 89 Cb 0.08 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2h1g h LYS 89 CO 0.00 0.92 -0.05 1.25 -0.57 0.00 0.00 179.45 181.00 2h1g h HIS 90 N 1.15 -0.14 0.00 -1.35 2.76 -0.90 -3.39 115.15 113.27 2h1g h HIS 90 Ca 0.28 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2h1g h HIS 90 Cb 0.14 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.15 2h1g h HIS 90 CO 0.01 0.27 0.00 1.19 -1.30 0.00 0.00 177.93 178.11 2h1g n PHE 91 N -4.85 0.28 -0.03 5.26 3.72 0.50 -3.88 117.46 118.47 2h1g n PHE 91 Ca -0.06 0.10 -0.09 0.00 -0.05 0.00 0.00 57.45 57.34 2h1g n PHE 91 Cb 0.24 -0.66 -0.03 0.00 -0.94 0.00 0.00 39.48 38.09 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 0.12 -0.53 -1.08 3.64 -1.54 -1.47 116.57 115.71 2h1g h LYS 92 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2h1g h LYS 92 Cb 0.42 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2h1g h LYS 92 CO 0.00 0.08 0.00 -1.13 -2.27 0.00 0.00 179.45 176.13 2h1g n SER 93 N -5.07 1.52 -0.48 4.20 3.41 -1.25 -1.64 113.62 114.31 2h1g n SER 93 Ca -0.03 -2.11 0.08 0.00 -0.26 0.00 0.00 58.87 56.55 2h1g n SER 93 Cb 0.07 -0.33 0.02 0.00 -0.26 0.00 0.00 64.21 63.72 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 0.08 1.58 -0.63 4.33 1.13 -0.60 -4.98 117.38 118.29 2h1g n GLN 94 Ca 0.06 -1.05 0.00 0.00 -1.94 0.00 0.00 57.00 54.07 2h1g n GLN 94 Cb 0.31 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.35 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 1.12 1.21 3.89 1.08 0.00 -0.65 -4.17 105.19 107.68 2h1g n GLY 95 Ca 0.08 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 5.41 0.02 1.61 1.01 -0.93 -1.66 120.40 123.86 2h1g s VAL 96 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2h1g s VAL 96 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2h1g s VAL 96 CO 0.00 0.39 -0.15 -0.70 0.00 0.00 0.00 175.10 174.64 2h1g s GLU 97 N -1.71 1.08 -0.10 2.72 2.56 0.55 -4.25 118.70 119.55 2h1g s GLU 97 Ca 0.25 -0.69 -0.03 0.00 0.00 0.00 0.00 54.97 54.50 2h1g s GLU 97 Cb -0.13 -1.09 -0.03 0.00 2.00 0.00 0.00 34.13 34.88 2h1g s GLU 97 CO 0.15 0.28 0.03 0.42 -0.56 0.00 0.00 175.26 175.59 2h1g s ILE 98 N -0.65 4.60 -0.27 -3.70 1.01 -1.26 -0.20 121.20 120.73 2h1g s ILE 98 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 2h1g s ILE 98 Cb -0.07 -2.95 0.08 0.00 0.01 0.00 0.00 42.46 39.53 2h1g s ILE 98 CO 0.01 0.60 0.05 -0.69 0.00 0.00 0.00 174.94 174.91 2h1g s VAL 99 N -0.87 0.95 -0.43 2.92 1.01 -0.50 -4.02 120.40 119.46 2h1g s VAL 99 Ca 0.13 -1.17 -0.20 0.00 0.00 0.00 0.00 61.98 60.74 2h1g s VAL 99 Cb -0.12 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.74 2h1g s VAL 99 CO 0.03 -0.44 0.62 0.00 0.00 0.00 0.00 175.10 175.31 2h1g s ALA 100 N 1.62 3.36 -0.35 5.51 0.00 -0.75 -1.04 121.76 130.11 2h1g s ALA 100 Ca 0.04 -1.21 -0.19 0.00 0.00 0.00 0.00 51.96 50.60 2h1g s ALA 100 Cb -0.18 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 2h1g s ALA 100 CO -0.16 -1.74 0.57 0.08 0.00 0.00 0.00 175.76 174.51 2h1g s VAL 101 N 2.75 4.96 0.14 0.00 1.01 0.46 -0.93 120.40 128.80 2h1g s VAL 101 Ca 0.22 0.48 -0.25 0.00 0.00 0.00 0.00 61.98 62.43 2h1g s VAL 101 Cb -0.14 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 2h1g s VAL 101 CO 0.18 -0.24 0.76 0.21 0.00 0.00 0.00 175.10 176.01 2h1g s ASN 102 N 1.76 7.34 -1.20 3.32 3.84 0.37 -0.82 114.94 129.55 2h1g s ASN 102 Ca 0.21 1.59 -0.07 0.00 0.21 0.00 0.00 52.86 54.81 2h1g s ASN 102 Cb -0.15 -2.48 0.22 0.00 -0.55 0.00 0.00 41.25 38.29 2h1g s ASN 102 CO 0.14 0.19 1.78 0.52 -2.79 0.00 0.00 177.10 176.94 2h1g n VAL 103 N 1.74 4.83 -2.06 -5.21 0.31 -0.01 -0.99 118.33 116.95 2h1g n VAL 103 Ca -0.06 -5.00 -0.01 0.00 -0.01 0.00 0.00 64.34 59.26 2h1g n VAL 103 Cb 0.49 -2.21 -0.00 0.00 -0.91 0.00 0.00 33.84 31.21 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 2.08 0.34 4.00 2.92 0.00 -0.97 -4.94 105.19 108.62 2h1g n GLY 104 Ca 0.37 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.12 2.39 0.60 1.61 2.02 -1.26 -4.88 118.70 115.05 2h1g s GLU 105 Ca 0.00 -1.16 -0.11 0.00 0.02 0.00 0.00 54.97 53.73 2h1g s GLU 105 Cb -0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 2h1g s GLU 105 CO 0.00 -0.78 1.00 -1.54 0.02 0.00 0.00 175.26 173.97 2h1g s SER 106 N -4.52 6.25 0.36 -0.19 1.04 -1.26 -4.85 113.70 110.53 2h1g s SER 106 Ca 0.59 1.37 0.05 0.00 0.48 0.00 0.00 55.95 58.44 2h1g s SER 106 Cb -0.08 -2.45 0.69 0.00 0.10 0.00 0.00 66.02 64.28 2h1g s SER 106 CO 0.38 -0.83 1.95 0.50 0.98 0.00 0.00 173.24 176.22 2h1g h LYS 107 N -0.22 0.56 -0.19 4.02 3.64 -2.00 -2.55 116.57 119.83 2h1g h LYS 107 Ca -0.44 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 58.69 2h1g h LYS 107 Cb 1.19 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2h1g h LYS 107 CO 0.62 0.49 -0.54 0.82 -2.27 0.00 0.00 179.45 178.57 2h1g h ILE 108 N 0.55 1.31 -0.69 2.00 5.03 -1.98 -0.71 117.51 123.01 2h1g h ILE 108 Ca 0.13 -1.76 0.10 0.00 -0.12 0.00 0.00 64.86 63.21 2h1g h ILE 108 Cb 0.16 1.90 -0.07 0.00 -3.03 0.00 0.00 36.82 35.78 2h1g h ILE 108 CO -0.01 0.55 0.32 0.00 -0.68 0.00 0.00 178.15 178.34 2h1g h ALA 109 N 0.58 0.95 -0.02 1.87 0.00 -1.85 -0.83 119.26 119.95 2h1g h ALA 109 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2h1g h ALA 109 Cb 1.16 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2h1g h ALA 109 CO 0.12 -0.10 -0.02 0.28 0.00 0.00 0.00 179.25 179.53 2h1g h VAL 110 N 0.54 1.35 -0.72 0.00 2.07 -1.35 -2.52 116.25 115.62 2h1g h VAL 110 Ca 0.35 -1.06 0.17 0.00 0.82 0.00 0.00 66.70 66.98 2h1g h VAL 110 Cb 0.40 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 2h1g h VAL 110 CO -0.29 0.28 0.50 0.45 0.02 0.00 0.00 177.57 178.53 2h1g h HIS 111 N -0.37 0.26 -0.02 1.57 -0.00 -0.33 0.76 115.15 117.01 2h1g h HIS 111 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 2h1g h HIS 111 Cb 0.46 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.79 2h1g h HIS 111 CO 0.08 0.09 -0.06 -0.91 -0.00 0.00 0.00 177.93 177.13 2h1g h ASN 112 N 0.21 0.09 -0.40 2.45 -0.26 -1.07 -2.19 115.58 114.42 2h1g h ASN 112 Ca 0.35 -0.62 -0.06 0.00 -0.56 0.00 0.00 56.30 55.42 2h1g h ASN 112 Cb 1.07 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 38.28 2h1g h ASN 112 CO -0.07 0.69 0.04 0.15 -1.06 0.00 0.00 177.43 177.18 2h1g h PHE 113 N -0.50 0.79 -0.21 1.19 3.04 -0.88 0.19 116.94 120.56 2h1g h PHE 113 Ca -0.00 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 61.84 2h1g h PHE 113 Cb 0.68 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 2h1g h PHE 113 CO 0.14 0.71 0.05 0.52 -2.02 0.00 0.00 178.31 177.71 2h1g h MET 114 N 0.72 0.33 0.12 1.11 2.86 -0.83 -1.68 114.93 117.56 2h1g h MET 114 Ca 0.15 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2h1g h MET 114 Cb 0.38 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2h1g h MET 114 CO 0.01 0.46 -0.06 -0.22 1.06 0.00 0.00 176.91 178.17 2h1g h LYS 115 N 0.14 -0.15 -0.82 1.72 3.64 -0.76 -1.29 116.57 119.04 2h1g h LYS 115 Ca 0.06 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.63 2h1g h LYS 115 Cb 0.28 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.03 2h1g h LYS 115 CO 0.00 0.05 0.33 0.77 -2.27 0.00 0.00 179.45 178.33 2h1g h SER 116 N -0.34 0.27 -0.56 4.20 0.02 -0.51 -2.15 113.55 114.48 2h1g h SER 116 Ca -0.02 0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 2h1g h SER 116 Cb 0.28 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 2h1g h SER 116 CO 0.03 0.04 0.09 -1.22 -1.14 0.00 0.00 176.83 174.62 2h1g n TYR 117 N -5.04 1.94 -3.96 3.45 4.01 -0.64 -4.97 117.16 111.94 2h1g n TYR 117 Ca 0.18 -0.95 -0.27 0.00 -0.16 0.00 0.00 57.90 56.70 2h1g n TYR 117 Cb 0.53 -0.53 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 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 0.06 -0.30 3.74 2.72 0.00 -0.64 -4.36 105.19 106.41 2h1g n GLY 118 Ca 0.31 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.94 2.80 -0.06 1.61 1.01 -0.58 -4.88 120.40 116.35 2h1g s VAL 119 Ca 0.06 0.66 0.09 0.00 0.00 0.00 0.00 61.98 62.79 2h1g s VAL 119 Cb -0.02 -3.42 0.14 0.00 0.00 0.00 0.00 36.38 33.08 2h1g s VAL 119 CO 0.90 0.10 1.03 -0.46 0.00 0.00 0.00 175.10 176.67 2h1g n ASN 120 N 2.47 1.56 -4.18 3.32 0.23 -1.26 -4.93 115.26 112.47 2h1g n ASN 120 Ca 0.07 -2.45 -0.12 0.00 -0.53 0.00 0.00 54.58 51.56 2h1g n ASN 120 Cb 0.41 -0.25 -0.10 0.00 -2.08 0.00 0.00 39.78 37.75 2h1g n ASN 120 CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 2h1g s PHE 121 N -1.62 0.95 0.17 -2.53 -0.12 -1.26 -5.06 117.98 108.51 2h1g s PHE 121 Ca 0.16 -0.85 -0.32 0.00 -0.05 0.00 0.00 56.93 55.87 2h1g s PHE 121 Cb 0.14 -0.53 -0.11 0.00 -0.63 0.00 0.00 43.02 41.88 2h1g s PHE 121 CO 0.01 -0.10 1.77 -2.30 -0.05 0.00 0.00 175.22 174.56 2h1g n PRO 122 N 0.07 2.79 -5.05 1.99 -0.02 -1.26 -4.93 135.00 128.59 2h1g n PRO 122 Ca -0.13 1.01 -0.29 0.00 -2.02 0.00 0.00 63.50 62.08 2h1g n PRO 122 Cb 0.60 -2.88 -0.16 0.00 -0.02 0.00 0.00 33.50 31.04 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 1.83 1.73 0.29 -1.45 1.01 -1.26 -1.82 120.40 120.73 2h1g s VAL 123 Ca 0.78 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.95 2h1g s VAL 123 Cb -0.49 -1.47 -0.06 0.00 0.00 0.00 0.00 36.38 34.36 2h1g s VAL 123 CO 0.34 0.49 -0.09 0.68 0.00 0.00 0.00 175.10 176.52 2h1g s VAL 124 N -0.11 1.93 -0.31 2.92 -7.23 -0.10 -2.40 120.40 115.10 2h1g s VAL 124 Ca -0.02 -2.19 -0.03 0.00 -1.81 0.00 0.00 61.98 57.93 2h1g s VAL 124 Cb -0.12 -2.45 0.05 0.00 0.56 0.00 0.00 36.38 34.42 2h1g s VAL 124 CO 0.03 -0.31 0.02 -0.76 -0.31 0.00 0.00 175.10 173.76 2h1g s LEU 125 N -3.49 3.98 -1.29 1.32 1.43 -1.06 -0.48 118.68 119.10 2h1g s LEU 125 Ca 0.30 -1.26 -0.07 0.00 -1.03 0.00 0.00 54.13 52.07 2h1g s LEU 125 Cb 0.02 -1.74 0.15 0.00 0.03 0.00 0.00 46.19 44.65 2h1g s LEU 125 CO 0.13 -0.27 2.13 -0.67 0.23 0.00 0.00 176.35 177.89 2h1g n ASP 126 N 4.65 6.70 -0.22 2.29 2.03 -0.16 -4.60 116.55 127.24 2h1g n ASP 126 Ca -0.13 -3.15 0.02 0.00 0.52 0.00 0.00 54.79 52.06 2h1g n ASP 126 Cb 0.44 -1.41 0.13 0.00 -0.72 0.00 0.00 41.12 39.56 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 3.12 0.51 -0.41 5.18 1.35 -1.89 0.62 112.91 121.40 2h1g h THR 127 Ca 0.55 -0.06 -0.07 0.00 -0.55 0.00 0.00 66.41 66.27 2h1g h THR 127 Cb 0.46 0.32 -0.04 0.00 -1.73 0.00 0.00 68.15 67.15 2h1g h THR 127 CO 1.54 0.03 0.05 -0.90 -0.25 0.00 0.00 175.52 175.99 2h1g n ASP 128 N -5.22 4.11 -0.68 5.36 5.68 -1.26 -4.45 116.55 120.09 2h1g n ASP 128 Ca 0.11 -3.16 -0.09 0.00 -0.50 0.00 0.00 54.79 51.14 2h1g n ASP 128 Cb 0.39 -0.62 -0.04 0.00 -1.14 0.00 0.00 41.12 39.71 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 -0.40 -0.79 0.06 0.11 1.74 0.17 -4.88 116.66 112.68 2h1g n ARG 129 Ca 0.28 0.77 -0.17 0.00 -0.77 0.00 0.00 57.85 57.96 2h1g n ARG 129 Cb 1.06 -4.69 -0.08 0.00 -1.02 0.00 0.00 32.46 27.73 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 0.08 0.54 -0.85 5.56 4.20 -1.93 -2.94 115.11 119.77 2h1g h GLN 130 Ca -0.18 -0.61 -0.01 0.00 0.06 0.00 0.00 58.65 57.91 2h1g h GLN 130 Cb 0.66 0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 2h1g h GLN 130 CO 0.27 1.23 0.50 0.28 -0.67 0.00 0.00 178.83 180.43 2h1g h VAL 131 N 0.30 1.24 -0.64 -0.54 2.07 -1.91 0.31 116.25 117.08 2h1g h VAL 131 Ca -0.11 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 66.94 2h1g h VAL 131 Cb 1.67 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 2h1g h VAL 131 CO 0.19 0.26 0.27 0.25 0.02 0.00 0.00 177.57 178.56 2h1g h LEU 132 N 1.18 0.30 -0.43 2.57 5.85 -1.93 -0.52 115.31 122.33 2h1g h LEU 132 Ca 0.30 0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.92 2h1g h LEU 132 Cb -0.02 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2h1g h LEU 132 CO -0.05 0.17 -0.73 0.44 -0.34 0.00 0.00 178.44 177.93 2h1g h ASP 133 N 0.47 0.42 -0.65 1.25 3.32 -1.16 -1.19 116.42 118.88 2h1g h ASP 133 Ca 0.32 -0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.13 2h1g h ASP 133 Cb 0.38 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 2h1g h ASP 133 CO -0.30 1.01 0.43 0.00 -1.72 0.00 0.00 179.24 178.66 2h1g h ALA 134 N 0.98 1.67 -0.01 3.45 0.00 0.21 -2.33 119.26 123.23 2h1g h ALA 134 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2h1g h ALA 134 Cb 1.30 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2h1g h ALA 134 CO 0.12 0.26 -0.40 0.66 0.00 0.00 0.00 179.25 179.89 2h1g n TYR 135 N -4.46 0.00 -2.31 0.00 4.02 -0.26 -4.92 117.16 109.23 2h1g n TYR 135 Ca 0.08 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.78 2h1g n TYR 135 Cb 0.15 -0.07 -0.02 0.00 -0.02 0.00 0.00 39.34 39.39 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 -0.44 -5.61 -4.78 7.72 2.03 -0.48 -4.98 116.55 110.00 2h1g n ASP 136 Ca 0.10 0.02 -0.39 0.00 0.52 0.00 0.00 54.79 55.05 2h1g n ASP 136 Cb 0.40 -4.66 -0.06 0.00 -0.72 0.00 0.00 41.12 36.08 2h1g n ASP 136 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2h1g s VAL 137 N -2.96 4.43 0.09 5.18 1.01 -0.99 -5.01 120.40 122.15 2h1g s VAL 137 Ca 0.00 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.59 2h1g s VAL 137 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2h1g s VAL 137 CO 0.00 0.51 0.00 -1.54 0.00 0.00 0.00 175.10 174.07 2h1g n SER 138 N 1.56 0.96 -4.89 3.32 3.41 -1.26 -4.75 113.62 111.97 2h1g n SER 138 Ca -0.06 0.12 -0.34 0.00 -0.26 0.00 0.00 58.87 58.33 2h1g n SER 138 Cb 0.49 -0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 2h1g n SER 138 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2h1g s PRO 139 N -2.00 3.56 0.16 4.33 0.05 -1.26 -5.09 135.00 134.76 2h1g s PRO 139 Ca 0.00 -0.11 0.10 0.00 0.05 0.00 0.00 61.00 61.04 2h1g s PRO 139 Cb 0.00 -3.08 -0.04 0.00 0.05 0.00 0.00 34.50 31.43 2h1g s PRO 139 CO 0.00 0.65 -0.22 -0.51 0.05 0.00 0.00 177.00 176.97 2h1g s LEU 140 N -1.79 2.41 0.86 -3.56 1.43 -1.26 -4.38 118.68 112.39 2h1g s LEU 140 Ca 0.28 -0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 2h1g s LEU 140 Cb -0.13 -1.01 0.11 0.00 0.03 0.00 0.00 46.19 45.18 2h1g s LEU 140 CO 0.16 0.06 1.11 -2.16 0.23 0.00 0.00 176.35 175.75 2h1g s PRO 141 N -2.55 1.56 -0.02 1.29 0.04 -1.26 -4.86 135.00 129.20 2h1g s PRO 141 Ca 0.16 0.56 -0.00 0.00 0.04 0.00 0.00 61.00 61.75 2h1g s PRO 141 Cb -0.08 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.62 2h1g s PRO 141 CO 0.08 -1.97 0.03 0.99 0.04 0.00 0.00 177.00 176.17 2h1g s THR 142 N -3.14 -0.03 -0.08 1.26 2.01 -1.06 -4.17 115.64 110.42 2h1g s THR 142 Ca 0.62 0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.74 2h1g s THR 142 Cb -0.15 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 2h1g s THR 142 CO 0.55 0.05 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.58 2h1g s THR 143 N 0.61 3.84 -0.13 -0.82 2.01 0.78 -0.56 115.64 121.37 2h1g s THR 143 Ca -0.05 -0.42 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 2h1g s THR 143 Cb -0.07 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 2h1g s THR 143 CO -0.02 0.59 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.10 2h1g s PHE 144 N -0.72 3.00 -0.36 4.92 0.40 0.18 -0.05 117.98 125.34 2h1g s PHE 144 Ca 0.11 -0.20 -0.12 0.00 -0.60 0.00 0.00 56.93 56.12 2h1g s PHE 144 Cb -0.11 -1.88 0.01 0.00 0.51 0.00 0.00 43.02 41.55 2h1g s PHE 144 CO 0.02 0.09 0.22 -0.51 0.70 0.00 0.00 175.22 175.73 2h1g s LEU 145 N -0.03 4.59 -0.20 -0.37 1.43 -0.40 -1.21 118.68 122.48 2h1g s LEU 145 Ca 0.01 -0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 52.31 2h1g s LEU 145 Cb -0.13 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2h1g s LEU 145 CO 0.03 -0.32 0.03 -0.63 0.23 0.00 0.00 176.35 175.69 2h1g s ILE 146 N 1.63 4.28 0.98 -0.59 1.01 -0.06 -0.13 121.20 128.31 2h1g s ILE 146 Ca 0.04 -0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 2h1g s ILE 146 Cb -0.18 -2.94 0.18 0.00 0.01 0.00 0.00 42.46 39.53 2h1g s ILE 146 CO 0.08 0.43 1.18 0.54 0.00 0.00 0.00 174.94 177.17 2h1g s ASN 147 N 0.84 2.94 0.43 3.58 2.20 -0.64 -0.94 114.94 123.34 2h1g s ASN 147 Ca 0.02 0.71 0.30 0.00 -0.94 0.00 0.00 52.86 52.95 2h1g s ASN 147 Cb -0.14 -1.09 1.29 0.00 -2.00 0.00 0.00 41.25 39.31 2h1g s ASN 147 CO 0.02 -2.88 1.88 -0.65 -2.94 0.00 0.00 177.10 172.53 2h1g h PRO 148 N -1.73 0.00 0.00 3.55 0.11 -1.78 -1.24 132.00 130.91 2h1g h PRO 148 Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 2h1g h PRO 148 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2h1g h PRO 148 CO 0.51 0.00 -0.49 0.93 -0.21 0.00 0.00 178.00 178.74 2h1g h GLU 149 N 0.00 0.00 0.00 1.05 3.07 -1.92 -2.67 114.58 114.11 2h1g h GLU 149 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2h1g h GLU 149 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2h1g h GLU 149 CO 0.00 0.49 0.00 0.41 -1.40 0.00 0.00 179.01 178.51 2h1g n GLY 150 N 0.55 1.44 3.69 -3.84 0.00 -0.47 -4.98 105.19 101.58 2h1g n GLY 150 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.04 2.55 -0.17 1.61 -0.14 -1.26 -2.27 119.74 120.02 2h1g s LYS 151 Ca 0.00 -0.84 -0.29 0.00 -1.36 0.00 0.00 55.97 53.47 2h1g s LYS 151 Cb 0.00 -2.54 -0.01 0.00 -1.68 0.00 0.00 37.83 33.60 2h1g s LYS 151 CO 0.00 0.54 1.26 0.08 -0.76 0.00 0.00 175.35 176.46 2h1g s VAL 152 N -1.33 4.29 -0.50 3.17 1.01 -0.58 -1.63 120.40 124.84 2h1g s VAL 152 Ca 0.26 1.56 0.23 0.00 0.00 0.00 0.00 61.98 64.03 2h1g s VAL 152 Cb -0.12 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 2h1g s VAL 152 CO 0.18 -0.14 1.00 1.33 0.00 0.00 0.00 175.10 177.48 2h1g n VAL 153 N 5.37 0.24 -3.64 2.92 0.24 0.81 -4.09 118.33 120.18 2h1g n VAL 153 Ca 0.14 -0.32 -0.04 0.00 -2.04 0.00 0.00 64.34 62.08 2h1g n VAL 153 Cb 0.45 0.08 -0.07 0.00 -1.47 0.00 0.00 33.84 32.83 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 -3.25 0.39 -0.24 7.34 2.47 -1.23 -5.01 119.74 120.21 2h1g s LYS 154 Ca 0.02 0.60 -0.06 0.00 -1.56 0.00 0.00 55.97 54.97 2h1g s LYS 154 Cb 0.13 0.12 -0.02 0.00 -1.46 0.00 0.00 37.83 36.60 2h1g s LYS 154 CO 0.80 -0.07 0.04 0.08 0.16 0.00 0.00 175.35 176.36 2h1g s VAL 155 N 0.97 4.10 -0.18 4.02 1.01 -1.26 -1.28 120.40 127.78 2h1g s VAL 155 Ca -0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 2h1g s VAL 155 Cb -0.04 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 2h1g s VAL 155 CO -0.12 0.37 -0.07 -0.69 0.00 0.00 0.00 175.10 174.59 2h1g s VAL 156 N 1.49 3.41 0.02 2.92 1.01 0.92 -4.97 120.40 125.19 2h1g s VAL 156 Ca 0.06 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2h1g s VAL 156 Cb -0.15 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 2h1g s VAL 156 CO 0.02 0.47 -0.05 0.28 0.00 0.00 0.00 175.10 175.83 2h1g s THR 157 N 0.86 0.31 0.00 3.92 -1.32 -1.26 -0.16 115.64 117.99 2h1g s THR 157 Ca -0.02 -0.58 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 2h1g s THR 157 Cb -0.15 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.50 2h1g s THR 157 CO 0.01 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 2h1g n GLY 158 N 2.25 0.26 3.59 6.08 0.00 -1.26 -4.96 105.19 111.16 2h1g n GLY 158 Ca -0.18 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 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 4.45 -0.17 2.61 2.01 -1.26 -4.84 115.64 118.44 2h1g s THR 159 Ca 0.00 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 2h1g s THR 159 Cb 0.00 -2.98 -0.00 0.00 0.01 0.00 0.00 72.50 69.53 2h1g s THR 159 CO 0.00 0.49 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.25 2h1g s MET 160 N 0.25 3.27 0.68 4.92 1.00 -1.26 -5.10 119.30 123.07 2h1g s MET 160 Ca 0.01 -0.71 -0.14 0.00 0.00 0.00 0.00 55.69 54.85 2h1g s MET 160 Cb -0.13 -2.72 0.01 0.00 0.00 0.00 0.00 34.83 31.99 2h1g s MET 160 CO 0.01 -0.03 1.10 0.95 0.00 0.00 0.00 175.02 177.06 2h1g s THR 161 N 0.95 3.29 0.32 2.05 -4.23 -1.26 -4.88 115.64 111.89 2h1g s THR 161 Ca -0.02 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 2h1g s THR 161 Cb -0.15 -3.07 0.25 0.00 1.34 0.00 0.00 72.50 70.87 2h1g s THR 161 CO -0.01 -0.42 1.98 -0.08 -0.54 0.00 0.00 174.62 175.54 2h1g h GLU 162 N -0.23 0.94 -0.54 3.99 4.81 -1.96 -0.66 114.58 120.93 2h1g h GLU 162 Ca -0.46 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 58.81 2h1g h GLU 162 Cb 1.24 -0.21 -0.11 0.00 0.63 0.00 0.00 28.75 30.31 2h1g h GLU 162 CO 0.54 0.64 -0.20 1.03 -0.73 0.00 0.00 179.01 180.29 2h1g h SER 163 N 0.97 -0.72 -0.32 1.04 0.87 -1.99 0.65 113.55 114.05 2h1g h SER 163 Ca 0.26 0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.96 2h1g h SER 163 Cb -0.08 0.41 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2h1g h SER 163 CO -0.05 -0.23 0.03 0.24 -0.53 0.00 0.00 176.83 176.28 2h1g h MET 164 N -0.07 0.55 -0.92 2.24 2.86 -1.65 -2.26 114.93 115.68 2h1g h MET 164 Ca 0.25 -0.16 0.10 0.00 -2.06 0.00 0.00 59.70 57.83 2h1g h MET 164 Cb 0.47 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.99 2h1g h MET 164 CO -0.60 0.66 0.56 0.82 1.06 0.00 0.00 176.91 179.41 2h1g h ILE 165 N 0.37 0.93 -0.07 -1.22 2.04 -0.72 -1.76 117.51 117.09 2h1g h ILE 165 Ca 0.10 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2h1g h ILE 165 Cb 0.39 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2h1g h ILE 165 CO 0.01 0.17 0.04 -0.74 0.00 0.00 0.00 178.15 177.63 2h1g h HIS 166 N 0.92 0.09 -0.36 1.37 2.76 -0.67 -0.83 115.15 118.44 2h1g h HIS 166 Ca 0.44 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.66 2h1g h HIS 166 Cb 0.39 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.27 2h1g h HIS 166 CO -0.03 0.13 0.07 -0.44 -1.30 0.00 0.00 177.93 176.36 2h1g h ASP 167 N 0.03 0.01 -0.51 3.26 3.32 -0.98 -0.93 116.42 120.62 2h1g h ASP 167 Ca 0.02 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.15 2h1g h ASP 167 Cb 0.06 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2h1g h ASP 167 CO -0.00 0.04 0.32 1.88 -1.72 0.00 0.00 179.24 179.76 2h1g h TYR 168 N 0.19 0.60 -0.26 4.55 0.05 -1.28 -0.15 116.97 120.67 2h1g h TYR 168 Ca 0.17 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.96 2h1g h TYR 168 Cb 0.19 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 2h1g h TYR 168 CO -0.19 0.36 0.15 0.52 -1.05 0.00 0.00 178.16 177.95 2h1g h MET 169 N 0.64 0.35 -0.01 4.88 2.86 -0.76 -2.24 114.93 120.66 2h1g h MET 169 Ca 0.20 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 2h1g h MET 169 Cb -0.02 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2h1g h MET 169 CO -0.07 0.25 -0.10 -0.91 1.06 0.00 0.00 176.91 177.14 2h1g h ASN 170 N 0.36 -0.28 -1.00 1.22 2.35 0.08 -2.29 115.58 116.03 2h1g h ASN 170 Ca 0.10 0.04 0.28 0.00 -0.55 0.00 0.00 56.30 56.17 2h1g h ASN 170 Cb -0.01 0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.44 2h1g h ASN 170 CO -0.02 -0.14 0.71 0.25 -1.65 0.00 0.00 177.43 176.58 2h1g h LEU 171 N -0.16 0.09 -0.90 1.61 5.85 -0.47 -2.53 115.31 118.80 2h1g h LEU 171 Ca 0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2h1g h LEU 171 Cb 0.21 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2h1g h LEU 171 CO -0.10 0.02 -0.06 2.30 -0.34 0.00 0.00 178.44 180.26 2h1g n ILE 172 N -4.31 0.00 -2.22 4.05 -5.35 -1.09 -5.01 119.36 105.43 2h1g n ILE 172 Ca 0.21 -0.47 -0.38 0.00 -0.27 0.00 0.00 62.75 61.84 2h1g n ILE 172 Cb 1.01 1.09 -0.01 0.00 -1.74 0.00 0.00 39.64 39.99 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 -0.72 3.96 0.12 6.28 -2.85 -0.88 -3.80 119.74 121.85 2h1g s LYS 173 Ca 0.05 1.91 -0.33 0.00 -1.00 0.00 0.00 55.97 56.60 2h1g s LYS 173 Cb 0.04 -2.64 -0.12 0.00 -2.06 0.00 0.00 37.83 33.06 2h1g s LYS 173 CO 0.10 -0.42 1.54 -1.35 0.10 0.00 0.00 175.35 175.33 2h1g h PRO 174 N 2.51 -0.46 0.00 1.78 0.10 -1.78 -3.48 132.00 130.68 2h1g h PRO 174 Ca -0.49 0.03 0.00 0.00 0.10 0.00 0.00 66.00 65.64 2h1g h PRO 174 Cb 1.24 0.10 0.00 0.00 0.10 0.00 0.00 31.00 32.44 2h1g h PRO 174 CO 0.62 -0.30 0.00 0.41 0.10 0.00 0.00 178.00 178.83 2h1g n GLY 175 N -1.40 3.23 2.14 -0.55 0.00 -1.26 -5.10 105.19 102.25 2h1g n GLY 175 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2h1g n GLY 175 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50