#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tnf n ASP 10 N 0.00 2.14 -4.76 -3.46 5.75 -1.26 -4.95 116.55 110.01 2tnf n ASP 10 Ca 0.00 -1.57 -0.40 0.00 -0.01 0.00 0.00 54.79 52.81 2tnf n ASP 10 Cb 0.00 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.03 2tnf n ASP 10 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2tnf s LYS 11 N -1.06 4.58 0.25 0.11 -0.14 -1.26 -4.81 119.74 117.42 2tnf s LYS 11 Ca 0.16 1.86 -0.31 0.00 -1.36 0.00 0.00 55.97 56.32 2tnf s LYS 11 Cb 0.11 -3.16 -0.12 0.00 -1.68 0.00 0.00 37.83 32.98 2tnf s LYS 11 CO 0.16 0.14 1.54 -2.30 -0.76 0.00 0.00 175.35 174.14 2tnf n PRO 12 N 1.10 2.43 -3.76 -1.68 -0.02 -1.24 -4.61 135.00 127.22 2tnf n PRO 12 Ca -0.01 0.87 -0.13 0.00 -2.02 0.00 0.00 63.50 62.21 2tnf n PRO 12 Cb 0.44 -2.61 -0.10 0.00 -0.02 0.00 0.00 33.50 31.21 2tnf n PRO 12 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2tnf s VAL 13 N 0.17 0.01 -0.14 -1.45 -7.23 -0.76 -0.98 120.40 110.02 2tnf s VAL 13 Ca 0.68 -0.08 -0.11 0.00 -1.81 0.00 0.00 61.98 60.65 2tnf s VAL 13 Cb -0.57 -0.48 0.04 0.00 0.56 0.00 0.00 36.38 35.93 2tnf s VAL 13 CO 0.46 -0.04 0.37 0.00 -0.31 0.00 0.00 175.10 175.58 2tnf s ALA 14 N -0.07 -0.91 -0.33 1.32 0.00 0.19 -0.57 121.76 121.39 2tnf s ALA 14 Ca -0.02 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2tnf s ALA 14 Cb -0.03 -0.67 0.14 0.00 0.00 0.00 0.00 23.12 22.56 2tnf s ALA 14 CO 0.01 -0.19 0.28 -1.58 0.00 0.00 0.00 175.76 174.28 2tnf s HIS 15 N 0.52 -0.08 0.11 0.00 2.46 0.14 -1.19 115.29 117.25 2tnf s HIS 15 Ca -0.03 -0.74 0.03 0.00 0.47 0.00 0.00 55.06 54.79 2tnf s HIS 15 Cb -0.04 -0.59 -0.04 0.00 -0.13 0.00 0.00 32.58 31.77 2tnf s HIS 15 CO -0.03 -0.91 0.15 0.14 -2.47 0.00 0.00 174.74 171.63 2tnf s VAL 16 N 1.80 4.83 0.24 0.89 -7.23 0.54 -0.03 120.40 121.44 2tnf s VAL 16 Ca 0.13 -0.75 0.09 0.00 -1.81 0.00 0.00 61.98 59.65 2tnf s VAL 16 Cb -0.16 -3.39 -0.05 0.00 0.56 0.00 0.00 36.38 33.34 2tnf s VAL 16 CO -0.18 0.04 -0.16 0.68 -0.31 0.00 0.00 175.10 175.16 2tnf s VAL 17 N -1.55 2.04 0.37 1.32 -7.23 -0.54 -0.80 120.40 114.00 2tnf s VAL 17 Ca 0.32 -2.29 -0.27 0.00 -1.81 0.00 0.00 61.98 57.93 2tnf s VAL 17 Cb -0.12 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.57 2tnf s VAL 17 CO 0.25 -0.51 1.21 0.00 -0.31 0.00 0.00 175.10 175.74 2tnf s ALA 18 N -2.78 3.28 -0.03 1.32 0.00 -0.93 -0.24 121.76 122.38 2tnf s ALA 18 Ca 0.26 1.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 2tnf s ALA 18 Cb -0.02 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 2tnf s ALA 18 CO 0.10 -0.54 1.36 1.21 0.00 0.00 0.00 175.76 177.89 2tnf s ASN 19 N -0.90 6.89 0.10 0.00 3.84 0.92 -4.83 114.94 120.96 2tnf s ASN 19 Ca 0.53 2.01 0.25 0.00 0.21 0.00 0.00 52.86 55.87 2tnf s ASN 19 Cb -0.34 -2.56 0.51 0.00 -0.55 0.00 0.00 41.25 38.32 2tnf s ASN 19 CO 0.44 -0.70 1.45 0.00 -2.79 0.00 0.00 177.10 175.49 2tnf n HIS 20 N 5.55 0.44 0.04 0.43 1.44 -1.26 -4.28 115.22 117.58 2tnf n HIS 20 Ca 0.13 0.13 -0.07 0.00 -2.01 0.00 0.00 57.72 55.90 2tnf n HIS 20 Cb 0.44 -0.60 0.10 0.00 0.12 0.00 0.00 29.99 30.06 2tnf n HIS 20 CO 0.00 0.00 0.00 1.96 -2.81 0.00 0.00 176.34 175.49 2tnf h GLN 21 N 0.00 0.42 -4.78 -1.40 4.20 -1.96 -3.43 115.11 108.16 2tnf h GLN 21 Ca 0.00 -0.25 -0.68 0.00 0.06 0.00 0.00 58.65 57.77 2tnf h GLN 21 Cb 0.67 0.03 -0.29 0.00 0.30 0.00 0.00 27.48 28.19 2tnf h GLN 21 CO 0.00 0.84 -0.65 0.14 -0.67 0.00 0.00 178.83 178.49 2tnf s VAL 22 N -3.98 3.60 0.67 -0.54 -7.23 -1.26 -5.10 120.40 106.57 2tnf s VAL 22 Ca -0.06 -0.96 -0.12 0.00 -1.81 0.00 0.00 61.98 59.03 2tnf s VAL 22 Cb 0.12 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 34.13 2tnf s VAL 22 CO 0.82 0.01 1.06 -1.61 -0.31 0.00 0.00 175.10 175.07 2tnf s GLU 23 N 1.41 2.98 -0.88 4.82 0.41 -1.26 -3.93 118.70 122.25 2tnf s GLU 23 Ca 0.00 1.05 0.00 0.00 -0.41 0.00 0.00 54.97 55.61 2tnf s GLU 23 Cb -0.18 -1.99 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 2tnf s GLU 23 CO 0.01 -1.07 0.00 0.39 -0.49 0.00 0.00 175.26 174.10 2tnf n GLU 24 N -2.87 -1.25 -3.93 1.61 -0.58 -1.26 -4.98 120.64 107.38 2tnf n GLU 24 Ca 0.08 0.73 -0.10 0.00 -0.42 0.00 0.00 57.16 57.45 2tnf n GLU 24 Cb 0.53 -4.85 -0.12 0.00 -0.57 0.00 0.00 31.44 26.43 2tnf n GLU 24 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2tnf s GLN 25 N -2.45 0.25 -0.42 3.49 -0.21 -1.25 -4.01 119.66 115.06 2tnf s GLN 25 Ca 0.00 -0.39 -0.05 0.00 0.02 0.00 0.00 55.36 54.94 2tnf s GLN 25 Cb 0.00 0.09 0.11 0.00 1.00 0.00 0.00 33.01 34.21 2tnf s GLN 25 CO 0.00 -0.05 0.23 -1.17 -2.12 0.00 0.00 175.29 172.19 2tnf s LEU 26 N -1.02 5.31 -0.19 2.90 2.96 -1.26 -4.89 118.68 122.48 2tnf s LEU 26 Ca -0.11 -1.95 0.01 0.00 -0.22 0.00 0.00 54.13 51.86 2tnf s LEU 26 Cb -0.07 -1.88 0.03 0.00 0.50 0.00 0.00 46.19 44.78 2tnf s LEU 26 CO -0.00 -0.57 -0.16 -0.70 -1.32 0.00 0.00 176.35 173.59 2tnf s GLU 27 N 1.21 2.62 0.18 1.98 2.12 -1.26 -5.02 118.70 120.52 2tnf s GLU 27 Ca 0.07 -0.85 -0.30 0.00 0.36 0.00 0.00 54.97 54.25 2tnf s GLU 27 Cb -0.23 -2.50 -0.07 0.00 0.26 0.00 0.00 34.13 31.58 2tnf s GLU 27 CO -0.03 -0.29 0.98 -1.58 -0.54 0.00 0.00 175.26 173.80 2tnf s TRP 28 N 1.32 3.84 0.06 5.30 0.52 -1.26 -0.05 118.94 128.65 2tnf s TRP 28 Ca 0.02 1.81 0.06 0.00 0.02 0.00 0.00 56.10 58.01 2tnf s TRP 28 Cb -0.14 -3.07 -0.03 0.00 -1.15 0.00 0.00 33.47 29.08 2tnf s TRP 28 CO -0.11 0.15 -0.15 -0.51 0.02 0.00 0.00 176.95 176.35 2tnf s LEU 29 N -0.55 2.22 -0.02 2.99 1.43 0.67 -4.89 118.68 120.53 2tnf s LEU 29 Ca 0.45 -0.54 0.13 0.00 -1.03 0.00 0.00 54.13 53.14 2tnf s LEU 29 Cb -0.26 -0.64 -0.20 0.00 0.03 0.00 0.00 46.19 45.12 2tnf s LEU 29 CO 0.32 0.01 0.29 -1.54 0.23 0.00 0.00 176.35 175.66 2tnf n SER 30 N 1.61 1.99 -3.49 2.29 3.41 -1.26 -1.47 113.62 116.70 2tnf n SER 30 Ca -0.19 -0.01 -0.40 0.00 -0.26 0.00 0.00 58.87 58.00 2tnf n SER 30 Cb 0.54 1.59 -0.02 0.00 -0.26 0.00 0.00 64.21 66.06 2tnf n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2tnf n GLN 31 N -1.94 3.52 -3.87 4.33 1.13 -1.26 -4.45 117.38 114.83 2tnf n GLN 31 Ca -0.02 -2.51 -0.10 0.00 -1.94 0.00 0.00 57.00 52.42 2tnf n GLN 31 Cb 0.34 -2.94 -0.09 0.00 0.11 0.00 0.00 30.24 27.66 2tnf n GLN 31 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2tnf s ARG 32 N 2.09 0.66 0.32 -1.09 1.81 -1.26 -5.09 118.95 116.39 2tnf s ARG 32 Ca 0.60 -0.66 -0.29 0.00 -1.72 0.00 0.00 55.73 53.65 2tnf s ARG 32 Cb 0.16 0.27 -0.11 0.00 -0.45 0.00 0.00 34.95 34.83 2tnf s ARG 32 CO -0.07 -0.18 1.43 0.00 -0.68 0.00 0.00 175.30 175.80 2tnf s ALA 33 N -2.57 3.58 -1.31 2.13 0.00 -1.26 -2.19 121.76 120.14 2tnf s ALA 33 Ca -0.05 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2tnf s ALA 33 Cb -0.01 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2tnf s ALA 33 CO -0.04 -0.85 0.00 0.09 0.00 0.00 0.00 175.76 174.96 2tnf n ASN 34 N 1.17 -4.44 -4.66 0.00 3.02 -1.26 -5.02 115.26 104.07 2tnf n ASN 34 Ca 0.03 0.26 -0.23 0.00 -0.03 0.00 0.00 54.58 54.61 2tnf n ASN 34 Cb 0.40 -3.16 -0.07 0.00 -0.61 0.00 0.00 39.78 36.34 2tnf n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2tnf s ALA 35 N -2.50 3.22 0.02 5.41 0.00 -0.93 -4.98 121.76 121.99 2tnf s ALA 35 Ca 0.00 -1.68 -0.09 0.00 0.00 0.00 0.00 51.96 50.19 2tnf s ALA 35 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2tnf s ALA 35 CO 0.00 0.23 0.17 -0.51 0.00 0.00 0.00 175.76 175.65 2tnf s LEU 36 N -3.70 1.44 -0.36 0.00 1.43 0.96 -4.87 118.68 113.58 2tnf s LEU 36 Ca 0.32 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2tnf s LEU 36 Cb -0.06 0.83 0.19 0.00 0.03 0.00 0.00 46.19 47.18 2tnf s LEU 36 CO 0.20 -0.46 0.78 -0.22 0.23 0.00 0.00 176.35 176.88 2tnf s LEU 37 N -1.71 -1.11 0.25 1.79 2.96 -1.25 -0.68 118.68 118.94 2tnf s LEU 37 Ca -0.10 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 2tnf s LEU 37 Cb -0.04 1.48 -0.02 0.00 0.50 0.00 0.00 46.19 48.10 2tnf s LEU 37 CO -0.01 -0.14 0.30 0.00 -1.32 0.00 0.00 176.35 175.18 2tnf s ALA 38 N 2.11 0.76 -1.45 5.97 0.00 0.26 -4.92 121.76 124.49 2tnf s ALA 38 Ca 0.16 -1.46 -0.10 0.00 0.00 0.00 0.00 51.96 50.55 2tnf s ALA 38 Cb -0.03 1.27 0.06 0.00 0.00 0.00 0.00 23.12 24.42 2tnf s ALA 38 CO -0.13 -0.71 0.74 0.09 0.00 0.00 0.00 175.76 175.75 2tnf n ASN 39 N -0.61 -4.85 0.00 0.00 3.02 -1.26 -1.82 115.26 109.74 2tnf n ASN 39 Ca 0.01 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 2tnf n ASN 39 Cb 0.64 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.89 2tnf n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2tnf n GLY 40 N -1.50 2.34 3.77 7.41 0.00 -1.26 -3.60 105.19 112.35 2tnf n GLY 40 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2tnf n GLY 40 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2tnf s MET 41 N -0.27 3.92 0.09 1.61 -1.94 -1.05 -4.28 119.30 117.38 2tnf s MET 41 Ca 0.00 2.35 0.06 0.00 -1.71 0.00 0.00 55.69 56.39 2tnf s MET 41 Cb 0.00 -2.79 -0.03 0.00 2.01 0.00 0.00 34.83 34.02 2tnf s MET 41 CO 0.00 -0.60 -0.14 0.34 -0.01 0.00 0.00 175.02 174.60 2tnf s ASP 42 N -0.50 1.85 -0.22 3.03 2.15 -1.04 -4.52 116.67 117.42 2tnf s ASP 42 Ca 0.57 -0.71 0.02 0.00 0.43 0.00 0.00 52.55 52.86 2tnf s ASP 42 Cb -0.42 -0.06 0.04 0.00 -0.30 0.00 0.00 42.92 42.18 2tnf s ASP 42 CO 0.55 -0.10 -0.15 -0.22 -0.17 0.00 0.00 175.17 175.08 2tnf s LEU 43 N -2.07 2.78 -0.05 -1.34 2.96 -1.26 -0.98 118.68 118.72 2tnf s LEU 43 Ca 0.03 -0.98 -0.02 0.00 -0.22 0.00 0.00 54.13 52.94 2tnf s LEU 43 Cb -0.08 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 45.12 2tnf s LEU 43 CO 0.03 -0.09 0.11 -0.75 -1.32 0.00 0.00 176.35 174.32 2tnf s LYS 44 N 1.22 0.04 -1.50 1.98 2.20 -0.21 -4.86 119.74 118.61 2tnf s LYS 44 Ca -0.01 0.34 -0.12 0.00 -0.36 0.00 0.00 55.97 55.81 2tnf s LYS 44 Cb -0.16 -0.23 0.07 0.00 -1.51 0.00 0.00 37.83 36.00 2tnf s LYS 44 CO -0.09 -0.19 1.01 -0.25 -0.36 0.00 0.00 175.35 175.47 2tnf n ASP 45 N 4.38 -4.89 -0.48 1.43 8.00 -1.26 -1.42 116.55 122.31 2tnf n ASP 45 Ca -0.23 -0.74 -0.06 0.00 0.71 0.00 0.00 54.79 54.46 2tnf n ASP 45 Cb 0.51 -4.07 -0.03 0.00 -0.02 0.00 0.00 41.12 37.51 2tnf n ASP 45 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2tnf n ASN 46 N -2.87 -4.42 -4.28 -2.24 5.15 -1.26 -5.01 115.26 100.32 2tnf n ASN 46 Ca 0.02 0.16 -0.26 0.00 -0.60 0.00 0.00 54.58 53.90 2tnf n ASN 46 Cb 0.54 -2.47 -0.14 0.00 -0.53 0.00 0.00 39.78 37.18 2tnf n ASN 46 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2tnf s GLN 47 N -2.13 1.37 -0.19 1.20 -0.21 -0.51 -4.73 119.66 114.46 2tnf s GLN 47 Ca 0.00 -1.05 -0.18 0.00 0.02 0.00 0.00 55.36 54.15 2tnf s GLN 47 Cb 0.00 -1.56 -0.03 0.00 1.00 0.00 0.00 33.01 32.41 2tnf s GLN 47 CO 0.00 0.39 0.52 -0.51 -2.12 0.00 0.00 175.29 173.57 2tnf s LEU 48 N -1.43 4.16 -0.20 2.90 1.43 -0.08 -1.05 118.68 124.41 2tnf s LEU 48 Ca 0.08 0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 53.82 2tnf s LEU 48 Cb -0.09 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 2tnf s LEU 48 CO 0.03 -0.17 0.02 -0.69 0.23 0.00 0.00 176.35 175.76 2tnf s VAL 49 N 1.58 4.17 0.12 -1.59 1.01 -0.16 -0.01 120.40 125.53 2tnf s VAL 49 Ca 0.24 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.76 2tnf s VAL 49 Cb -0.15 -2.89 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 2tnf s VAL 49 CO 0.10 0.43 0.68 0.68 0.00 0.00 0.00 175.10 176.99 2tnf s VAL 50 N 0.87 4.54 -1.31 2.92 -7.23 -0.97 -2.49 120.40 116.73 2tnf s VAL 50 Ca 0.02 1.49 0.30 0.00 -1.81 0.00 0.00 61.98 61.97 2tnf s VAL 50 Cb -0.14 -4.03 0.44 0.00 0.56 0.00 0.00 36.38 33.21 2tnf s VAL 50 CO 0.02 0.53 2.01 -0.81 -0.31 0.00 0.00 175.10 176.55 2tnf n PRO 51 N 1.68 0.31 -3.55 4.82 -0.04 -1.26 -0.93 135.00 136.03 2tnf n PRO 51 Ca -0.08 -0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.28 2tnf n PRO 51 Cb 0.50 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 2tnf n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2tnf s ALA 52 N -2.69 -1.58 0.46 0.55 0.00 -1.26 -4.71 121.76 112.52 2tnf s ALA 52 Ca 0.24 0.42 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 2tnf s ALA 52 Cb 0.20 0.75 -0.07 0.00 0.00 0.00 0.00 23.12 24.00 2tnf s ALA 52 CO 0.48 -0.83 1.24 -0.51 0.00 0.00 0.00 175.76 176.15 2tnf s ASP 53 N -2.74 6.02 0.00 0.00 1.11 -1.26 -3.77 116.67 116.04 2tnf s ASP 53 Ca 0.05 2.49 0.00 0.00 0.18 0.00 0.00 52.55 55.27 2tnf s ASP 53 Cb -0.02 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.35 2tnf s ASP 53 CO -0.07 -1.03 0.00 0.61 1.18 0.00 0.00 175.17 175.86 2tnf n GLY 54 N 0.58 -1.57 3.76 0.21 0.00 -0.23 -4.90 105.19 103.04 2tnf n GLY 54 Ca 0.07 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 2tnf n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2tnf s LEU 55 N 0.00 4.43 -0.01 0.99 1.43 -1.26 -0.51 118.68 123.75 2tnf s LEU 55 Ca 0.00 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 2tnf s LEU 55 Cb 0.00 -2.96 0.01 0.00 0.03 0.00 0.00 46.19 43.27 2tnf s LEU 55 CO 0.00 0.10 -0.01 -0.31 0.23 0.00 0.00 176.35 176.36 2tnf s TYR 56 N -0.22 0.19 -0.14 0.29 1.51 -0.14 -0.95 117.35 117.89 2tnf s TYR 56 Ca 0.32 -0.01 -0.23 0.00 -1.01 0.00 0.00 57.07 56.14 2tnf s TYR 56 Cb -0.19 -0.18 -0.03 0.00 -0.11 0.00 0.00 41.96 41.46 2tnf s TYR 56 CO 0.18 -0.04 0.70 -1.17 -1.11 0.00 0.00 175.55 174.12 2tnf s LEU 57 N 0.27 4.22 -0.08 -1.29 2.96 0.22 -0.99 118.68 124.00 2tnf s LEU 57 Ca -0.02 1.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.98 2tnf s LEU 57 Cb -0.04 -3.04 0.00 0.00 0.50 0.00 0.00 46.19 43.60 2tnf s LEU 57 CO -0.01 -0.24 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.90 2tnf s VAL 58 N 1.51 1.68 0.13 1.68 1.01 -0.13 -0.22 120.40 126.07 2tnf s VAL 58 Ca 0.34 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 2tnf s VAL 58 Cb -0.17 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.76 2tnf s VAL 58 CO 0.14 0.48 0.33 -0.72 0.00 0.00 0.00 175.10 175.32 2tnf s TYR 59 N 0.34 0.04 -0.15 5.22 -0.85 -0.20 -0.85 117.35 120.90 2tnf s TYR 59 Ca -0.14 -0.41 -0.29 0.00 -0.52 0.00 0.00 57.07 55.71 2tnf s TYR 59 Cb -0.16 0.11 0.10 0.00 0.38 0.00 0.00 41.96 42.39 2tnf s TYR 59 CO 0.06 -0.68 0.83 0.45 -1.52 0.00 0.00 175.55 174.69 2tnf s SER 60 N -2.86 -0.55 -0.00 -0.18 0.15 -0.02 -0.26 113.70 109.96 2tnf s SER 60 Ca 0.07 0.76 0.03 0.00 0.70 0.00 0.00 55.95 57.51 2tnf s SER 60 Cb 0.03 0.66 -0.01 0.00 -1.71 0.00 0.00 66.02 64.99 2tnf s SER 60 CO -0.08 -0.40 -0.10 -1.58 1.20 0.00 0.00 173.24 172.28 2tnf s GLN 61 N -0.71 0.79 0.09 5.44 0.74 -0.23 -0.74 119.66 125.04 2tnf s GLN 61 Ca -0.04 -0.39 0.04 0.00 0.05 0.00 0.00 55.36 55.02 2tnf s GLN 61 Cb -0.02 -0.76 -0.03 0.00 1.10 0.00 0.00 33.01 33.30 2tnf s GLN 61 CO 0.04 0.21 -0.11 0.14 -0.55 0.00 0.00 175.29 175.01 2tnf s VAL 62 N -0.30 1.01 -0.08 1.34 -7.23 -0.63 -1.16 120.40 113.35 2tnf s VAL 62 Ca 0.03 -1.56 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 2tnf s VAL 62 Cb -0.04 -1.29 0.01 0.00 0.56 0.00 0.00 36.38 35.62 2tnf s VAL 62 CO -0.00 -0.47 -0.13 -0.22 -0.31 0.00 0.00 175.10 173.97 2tnf s LEU 63 N -2.28 1.65 0.14 1.32 2.96 -1.24 -1.08 118.68 120.14 2tnf s LEU 63 Ca 0.04 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 53.67 2tnf s LEU 63 Cb -0.05 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.70 2tnf s LEU 63 CO 0.01 0.03 0.02 -0.36 -1.32 0.00 0.00 176.35 174.73 2tnf s PHE 64 N 0.79 2.96 -0.08 5.38 0.08 0.36 -1.14 117.98 126.33 2tnf s PHE 64 Ca -0.12 -0.07 -0.09 0.00 0.12 0.00 0.00 56.93 56.77 2tnf s PHE 64 Cb -0.16 -1.47 0.02 0.00 -0.57 0.00 0.00 43.02 40.85 2tnf s PHE 64 CO 0.02 0.50 0.24 0.21 -0.10 0.00 0.00 175.22 176.10 2tnf s LYS 65 N -2.72 0.34 0.03 0.44 2.20 0.12 -1.05 119.74 119.10 2tnf s LYS 65 Ca 0.27 0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 56.08 2tnf s LYS 65 Cb -0.10 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.36 2tnf s LYS 65 CO 0.19 -0.05 0.04 0.20 -0.36 0.00 0.00 175.35 175.37 2tnf s GLY 66 N -0.13 0.25 -0.72 5.54 0.00 -0.78 -4.65 107.32 106.82 2tnf s GLY 66 Ca -0.03 -0.69 -0.15 0.00 0.00 0.00 0.00 44.72 43.86 2tnf s GLY 66 CO 0.01 -0.80 0.69 1.62 0.00 0.00 0.00 173.10 174.62 2tnf s GLN 67 N -2.53 3.37 1.25 2.90 2.00 -1.26 -0.93 119.66 124.46 2tnf s GLN 67 Ca -0.06 -2.11 0.00 0.00 -2.00 0.00 0.00 55.36 51.20 2tnf s GLN 67 Cb -0.02 -4.40 0.00 0.00 0.80 0.00 0.00 33.01 29.39 2tnf s GLN 67 CO -0.05 -1.35 0.00 0.41 -0.50 0.00 0.00 175.29 173.81 2tnf n GLY 68 N 4.55 -1.56 2.63 2.59 0.00 -0.58 -4.63 105.19 108.20 2tnf n GLY 68 Ca 0.04 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 2tnf n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tnf h PRO 70 N 5.01 0.37 -2.77 0.00 0.13 -1.93 -3.39 132.00 129.43 2tnf h PRO 70 Ca 0.18 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.35 2tnf h PRO 70 Cb 0.77 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 31.72 2tnf h PRO 70 CO 0.66 0.24 0.31 0.16 -0.23 0.00 0.00 178.00 179.15 2tnf s ASP 71 N -6.80 -0.36 0.26 1.44 1.47 -1.26 -4.84 116.67 106.57 2tnf s ASP 71 Ca -0.07 -0.28 -0.31 0.00 1.18 0.00 0.00 52.55 53.07 2tnf s ASP 71 Cb 0.17 0.59 -0.12 0.00 -0.34 0.00 0.00 42.92 43.23 2tnf s ASP 71 CO 0.71 -1.03 1.66 -0.47 0.68 0.00 0.00 175.17 176.72 2tnf s TYR 72 N -3.62 2.81 -0.01 2.11 5.04 -1.26 -4.87 117.35 117.54 2tnf s TYR 72 Ca 0.07 0.57 0.03 0.00 -2.44 0.00 0.00 57.07 55.30 2tnf s TYR 72 Cb -0.03 -4.11 -0.01 0.00 0.35 0.00 0.00 41.96 38.16 2tnf s TYR 72 CO -0.03 -3.97 -0.09 0.14 -1.34 0.00 0.00 175.55 170.26 2tnf s VAL 74 N 0.53 0.69 -0.25 3.14 -7.23 -1.26 -5.06 120.40 110.96 2tnf s VAL 74 Ca 0.69 -0.37 -0.03 0.00 -1.81 0.00 0.00 61.98 60.46 2tnf s VAL 74 Cb -0.49 -0.59 0.02 0.00 0.56 0.00 0.00 36.38 35.88 2tnf s VAL 74 CO 0.41 0.20 -0.04 -0.22 -0.31 0.00 0.00 175.10 175.14 2tnf s LEU 75 N -0.14 3.20 -0.19 1.32 2.96 -1.26 -4.17 118.68 120.41 2tnf s LEU 75 Ca 0.02 -0.73 -0.08 0.00 -0.22 0.00 0.00 54.13 53.12 2tnf s LEU 75 Cb -0.04 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2tnf s LEU 75 CO -0.00 -0.11 0.09 -0.76 -1.32 0.00 0.00 176.35 174.25 2tnf s LEU 76 N 1.39 4.00 0.11 -0.68 1.43 0.50 -4.86 118.68 120.57 2tnf s LEU 76 Ca 0.02 0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.34 2tnf s LEU 76 Cb -0.16 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 2tnf s LEU 76 CO -0.03 0.19 -0.15 0.42 0.23 0.00 0.00 176.35 177.00 2tnf s THR 77 N 0.30 1.38 -0.02 5.49 -4.23 -1.26 -0.39 115.64 116.90 2tnf s THR 77 Ca 0.06 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 2tnf s THR 77 Cb -0.12 -1.48 0.03 0.00 1.34 0.00 0.00 72.50 72.27 2tnf s THR 77 CO -0.01 -0.33 0.01 -2.28 -0.54 0.00 0.00 174.62 171.48 2tnf s HIS 78 N -1.86 0.19 -0.05 3.99 5.04 -0.85 -2.78 115.29 118.97 2tnf s HIS 78 Ca 0.07 0.06 -0.03 0.00 -1.54 0.00 0.00 55.06 53.62 2tnf s HIS 78 Cb -0.06 -0.33 0.02 0.00 0.04 0.00 0.00 32.58 32.25 2tnf s HIS 78 CO 0.03 -0.11 0.11 0.99 -2.34 0.00 0.00 174.74 173.42 2tnf s THR 79 N 1.03 -0.02 -0.24 0.89 2.01 0.23 -1.78 115.64 117.75 2tnf s THR 79 Ca -0.10 0.09 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 2tnf s THR 79 Cb -0.13 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2tnf s THR 79 CO -0.02 0.04 0.05 -0.69 -0.69 0.00 0.00 174.62 173.31 2tnf s VAL 80 N 0.57 4.20 0.31 3.82 1.01 0.56 -1.34 120.40 129.53 2tnf s VAL 80 Ca -0.04 -0.21 0.11 0.00 0.00 0.00 0.00 61.98 61.83 2tnf s VAL 80 Cb -0.06 -2.95 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 2tnf s VAL 80 CO -0.02 0.36 -0.13 -0.94 0.00 0.00 0.00 175.10 174.37 2tnf s SER 81 N 1.47 3.76 -0.11 3.32 1.04 -0.01 -0.24 113.70 122.93 2tnf s SER 81 Ca 0.06 -1.06 0.03 0.00 0.48 0.00 0.00 55.95 55.45 2tnf s SER 81 Cb -0.15 -0.37 -0.00 0.00 0.10 0.00 0.00 66.02 65.60 2tnf s SER 81 CO 0.03 -0.08 -0.20 -0.60 0.98 0.00 0.00 173.24 173.37 2tnf s ARG 82 N -3.58 3.14 -0.40 4.02 3.52 0.88 -1.86 118.95 124.68 2tnf s ARG 82 Ca 0.31 -0.82 -0.05 0.00 -0.13 0.00 0.00 55.73 55.05 2tnf s ARG 82 Cb -0.02 -2.42 0.09 0.00 -1.56 0.00 0.00 34.95 31.05 2tnf s ARG 82 CO 0.16 0.16 0.19 0.12 -0.81 0.00 0.00 175.30 175.13 2tnf s PHE 83 N 0.41 3.46 -0.11 5.12 5.36 0.74 -1.00 117.98 131.95 2tnf s PHE 83 Ca -0.15 -2.07 -0.30 0.00 -0.96 0.00 0.00 56.93 53.45 2tnf s PHE 83 Cb -0.17 -2.99 -0.03 0.00 -0.34 0.00 0.00 43.02 39.49 2tnf s PHE 83 CO 0.07 -0.92 1.33 0.00 -1.46 0.00 0.00 175.22 174.24 2tnf s ALA 84 N 1.25 3.62 0.49 11.12 0.00 -1.12 -1.45 121.76 135.67 2tnf s ALA 84 Ca 0.05 0.61 0.15 0.00 0.00 0.00 0.00 51.96 52.76 2tnf s ALA 84 Cb -0.23 -3.62 1.18 0.00 0.00 0.00 0.00 23.12 20.45 2tnf s ALA 84 CO -0.02 -1.11 2.11 0.97 0.00 0.00 0.00 175.76 177.70 2tnf h ILE 85 N 5.36 1.04 0.01 0.00 2.10 -1.88 -0.26 117.51 123.89 2tnf h ILE 85 Ca -0.31 -0.16 -0.00 0.00 1.08 0.00 0.00 64.86 65.47 2tnf h ILE 85 Cb 1.13 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 2tnf h ILE 85 CO 0.95 0.05 -0.01 0.77 -1.08 0.00 0.00 178.15 178.83 2tnf h SER 86 N 0.04 -0.01 -0.23 2.19 4.64 -1.92 -3.39 113.55 114.87 2tnf h SER 86 Ca 0.01 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.39 2tnf h SER 86 Cb 0.07 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.10 2tnf h SER 86 CO 0.00 0.19 -0.17 1.88 -0.87 0.00 0.00 176.83 177.86 2tnf h TYR 87 N -0.41 -0.43 -0.00 4.77 -1.99 -1.98 -3.47 116.97 113.46 2tnf h TYR 87 Ca -0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2tnf h TYR 87 Cb 0.01 0.23 0.00 0.00 2.00 0.00 0.00 36.73 38.97 2tnf h TYR 87 CO 0.00 -0.24 0.00 1.04 -0.00 0.00 0.00 178.16 178.96 2tnf n GLN 88 N -5.33 0.00 -4.02 4.88 1.13 -0.11 -5.07 117.38 108.87 2tnf n GLN 88 Ca -0.01 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.97 2tnf n GLN 88 Cb 0.24 -1.61 -0.10 0.00 0.11 0.00 0.00 30.24 28.88 2tnf n GLN 88 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2tnf s GLU 89 N -2.38 0.47 -0.24 -1.09 2.56 -1.25 -4.98 118.70 111.78 2tnf s GLU 89 Ca 0.00 -0.88 -0.16 0.00 0.00 0.00 0.00 54.97 53.94 2tnf s GLU 89 Cb 0.00 0.17 -0.04 0.00 2.00 0.00 0.00 34.13 36.26 2tnf s GLU 89 CO 0.00 -0.09 0.39 0.21 -0.56 0.00 0.00 175.26 175.22 2tnf s LYS 90 N -2.61 4.10 -0.00 4.30 2.20 -1.26 -2.79 119.74 123.67 2tnf s LYS 90 Ca -0.05 0.14 0.08 0.00 -0.36 0.00 0.00 55.97 55.77 2tnf s LYS 90 Cb -0.02 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 2tnf s LYS 90 CO -0.05 -0.17 -0.24 0.08 -0.36 0.00 0.00 175.35 174.62 2tnf s VAL 91 N 1.72 1.88 0.04 4.02 1.01 -0.17 -4.94 120.40 123.95 2tnf s VAL 91 Ca 0.17 -1.09 -0.28 0.00 0.00 0.00 0.00 61.98 60.78 2tnf s VAL 91 Cb -0.15 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2tnf s VAL 91 CO 0.09 0.46 0.90 0.20 0.00 0.00 0.00 175.10 176.76 2tnf s ASN 92 N -0.73 7.34 -0.22 3.32 0.01 -1.26 -0.08 114.94 123.31 2tnf s ASN 92 Ca 0.09 1.61 0.02 0.00 -0.71 0.00 0.00 52.86 53.88 2tnf s ASN 92 Cb -0.09 -2.54 -0.20 0.00 0.41 0.00 0.00 41.25 38.83 2tnf s ASN 92 CO -0.00 -0.13 -0.06 0.18 -1.51 0.00 0.00 177.10 175.58 2tnf n LEU 93 N 3.32 2.56 -3.82 0.60 4.77 0.66 -4.89 117.00 120.20 2tnf n LEU 93 Ca 0.02 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 2tnf n LEU 93 Cb 0.50 -0.78 -0.13 0.00 -2.33 0.00 0.00 43.42 40.68 2tnf n LEU 93 CO 0.50 0.86 -0.21 -0.76 -1.33 0.00 0.00 177.39 176.46 2tnf s LEU 94 N -6.51 1.48 -0.06 2.23 1.43 -0.97 -5.00 118.68 111.28 2tnf s LEU 94 Ca -0.29 0.28 -0.31 0.00 -1.03 0.00 0.00 54.13 52.78 2tnf s LEU 94 Cb 0.08 0.47 0.07 0.00 0.03 0.00 0.00 46.19 46.84 2tnf s LEU 94 CO 0.66 -0.05 0.68 -0.55 0.23 0.00 0.00 176.35 177.32 2tnf s SER 95 N 0.07 -0.66 0.11 2.29 0.15 -1.26 -0.33 113.70 114.07 2tnf s SER 95 Ca -0.00 0.74 -0.14 0.00 0.70 0.00 0.00 55.95 57.25 2tnf s SER 95 Cb -0.01 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 64.89 2tnf s SER 95 CO 0.00 -0.60 0.34 0.00 1.20 0.00 0.00 173.24 174.18 2tnf s ALA 96 N -1.15 -0.72 0.06 5.45 0.00 -0.73 -5.01 121.76 119.65 2tnf s ALA 96 Ca -0.11 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 51.69 2tnf s ALA 96 Cb -0.00 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 2tnf s ALA 96 CO 0.10 -0.59 -0.11 0.08 0.00 0.00 0.00 175.76 175.24 2tnf s VAL 97 N -3.71 0.87 -0.03 0.00 1.01 -1.26 -2.01 120.40 115.26 2tnf s VAL 97 Ca 0.03 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 60.77 2tnf s VAL 97 Cb 0.03 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.55 2tnf s VAL 97 CO -0.11 -0.28 0.13 -0.54 0.00 0.00 0.00 175.10 174.31 2tnf s LYS 98 N -1.63 0.26 -0.44 2.72 1.02 0.48 -4.99 119.74 117.15 2tnf s LYS 98 Ca -0.05 -0.00 0.03 0.00 0.02 0.00 0.00 55.97 55.97 2tnf s LYS 98 Cb -0.10 0.11 0.12 0.00 -0.52 0.00 0.00 37.83 37.45 2tnf s LYS 98 CO 0.01 -0.05 0.19 -1.54 -0.92 0.00 0.00 175.35 173.04 2tnf s SER 99 N -0.39 4.27 0.43 2.83 1.04 -1.26 -0.37 113.70 120.24 2tnf s SER 99 Ca -0.05 -2.59 0.27 0.00 0.48 0.00 0.00 55.95 54.06 2tnf s SER 99 Cb -0.03 -1.44 0.82 0.00 0.10 0.00 0.00 66.02 65.46 2tnf s SER 99 CO 0.01 -0.29 1.77 1.55 0.98 0.00 0.00 173.24 177.25 2tnf h PRO 100 N 6.98 0.00 -3.34 4.02 0.13 -1.99 -3.41 132.00 134.39 2tnf h PRO 100 Ca -0.06 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.41 2tnf h PRO 100 Cb 0.94 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.68 2tnf h PRO 100 CO 0.58 0.00 -0.49 0.00 -0.23 0.00 0.00 178.00 177.86 2tnf h PRO 102 N 6.27 -0.86 -4.97 0.00 0.11 -1.96 -3.41 132.00 127.17 2tnf h PRO 102 Ca 0.02 0.06 -0.32 0.00 0.11 0.00 0.00 66.00 65.87 2tnf h PRO 102 Cb 0.86 0.20 -0.17 0.00 0.11 0.00 0.00 31.00 31.99 2tnf h PRO 102 CO 0.72 -0.58 -0.73 -1.59 -0.21 0.00 0.00 178.00 175.62 2tnf s LYS 103 N -6.02 0.87 -1.44 1.05 -2.85 -1.26 -4.96 119.74 105.13 2tnf s LYS 103 Ca -0.18 -1.19 -0.09 0.00 -1.00 0.00 0.00 55.97 53.52 2tnf s LYS 103 Cb 0.04 -0.54 -0.05 0.00 -2.06 0.00 0.00 37.83 35.23 2tnf s LYS 103 CO 0.62 0.08 2.86 -0.25 0.10 0.00 0.00 175.35 178.76 2tnf n ASP 104 N 0.47 8.36 -0.28 0.03 8.00 -1.26 -4.81 116.55 127.05 2tnf n ASP 104 Ca -0.15 -2.72 0.01 0.00 0.71 0.00 0.00 54.79 52.64 2tnf n ASP 104 Cb 0.58 -1.50 0.05 0.00 -0.02 0.00 0.00 41.12 40.24 2tnf n ASP 104 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2tnf n THR 105 N 3.01 -0.37 0.00 -3.53 -1.04 -1.26 -4.26 114.28 106.82 2tnf n THR 105 Ca 0.72 1.75 0.00 0.00 -2.04 0.00 0.00 64.05 64.48 2tnf n THR 105 Cb 0.28 -2.34 0.00 0.00 -1.82 0.00 0.00 70.33 66.45 2tnf n THR 105 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2tnf n PRO 106 N -5.14 0.00 -3.41 -2.82 -0.02 -1.26 -4.84 135.00 117.50 2tnf n PRO 106 Ca 0.09 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.40 2tnf n PRO 106 Cb 0.32 0.00 0.08 0.00 -0.02 0.00 0.00 33.50 33.88 2tnf n PRO 106 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2tnf n GLU 107 N 0.00 -4.91 0.00 -0.52 1.02 -1.26 -2.43 120.64 112.54 2tnf n GLU 107 Ca 0.00 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.96 2tnf n GLU 107 Cb 0.00 -5.73 0.00 0.00 -0.02 0.00 0.00 31.44 25.69 2tnf n GLU 107 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2tnf n GLY 108 N -1.23 3.38 2.87 0.62 0.00 -1.26 -5.06 105.19 104.51 2tnf n GLY 108 Ca -0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 2tnf n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tnf n ALA 109 N -1.53 -4.19 -2.38 4.61 0.00 -1.02 -4.98 120.51 111.02 2tnf n ALA 109 Ca 0.00 -1.38 -0.42 0.00 0.00 0.00 0.00 53.44 51.65 2tnf n ALA 109 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 2tnf n ALA 109 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2tnf s GLU 110 N -4.93 4.51 -0.87 0.00 2.56 -1.26 -4.91 118.70 113.80 2tnf s GLU 110 Ca 0.60 1.67 -0.17 0.00 0.00 0.00 0.00 54.97 57.07 2tnf s GLU 110 Cb -0.09 -3.35 0.16 0.00 2.00 0.00 0.00 34.13 32.85 2tnf s GLU 110 CO 0.49 -0.10 0.97 -0.51 -0.56 0.00 0.00 175.26 175.55 2tnf s LEU 111 N 0.61 5.68 0.07 2.70 1.43 -1.26 -4.85 118.68 123.06 2tnf s LEU 111 Ca 0.54 -2.23 -0.21 0.00 -1.03 0.00 0.00 54.13 51.21 2tnf s LEU 111 Cb -0.27 -2.33 -0.07 0.00 0.03 0.00 0.00 46.19 43.56 2tnf s LEU 111 CO 0.31 -0.89 0.62 -0.54 0.23 0.00 0.00 176.35 176.07 2tnf s LYS 112 N 1.79 4.30 0.50 1.70 1.02 -1.26 -4.35 119.74 123.44 2tnf s LYS 112 Ca 0.26 0.83 -0.22 0.00 0.02 0.00 0.00 55.97 56.86 2tnf s LYS 112 Cb -0.08 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.90 2tnf s LYS 112 CO -0.08 0.56 1.19 -1.25 -0.92 0.00 0.00 175.35 174.85 2tnf s PRO 113 N -0.89 3.54 0.18 -1.68 0.04 -1.26 -1.52 135.00 133.42 2tnf s PRO 113 Ca 0.31 1.82 0.11 0.00 0.04 0.00 0.00 61.00 63.29 2tnf s PRO 113 Cb -0.20 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 2tnf s PRO 113 CO 0.20 -0.74 -0.24 1.67 0.04 0.00 0.00 177.00 177.92 2tnf s TRP 114 N -1.55 2.29 -0.01 0.56 1.48 -0.10 -4.85 118.94 116.76 2tnf s TRP 114 Ca 0.67 -0.36 0.02 0.00 -1.06 0.00 0.00 56.10 55.37 2tnf s TRP 114 Cb -0.30 -1.15 -0.00 0.00 -1.16 0.00 0.00 33.47 30.86 2tnf s TRP 114 CO 0.35 0.48 -0.07 0.71 -4.06 0.00 0.00 176.95 174.36 2tnf s TYR 115 N -1.61 0.68 -0.15 1.66 1.51 -1.26 -1.87 117.35 116.32 2tnf s TYR 115 Ca 0.20 -0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 56.08 2tnf s TYR 115 Cb -0.08 -0.46 0.07 0.00 -0.11 0.00 0.00 41.96 41.38 2tnf s TYR 115 CO 0.09 -0.03 0.20 -1.21 -1.11 0.00 0.00 175.55 173.49 2tnf s GLU 116 N -0.08 0.12 0.21 -0.62 0.41 -0.22 -4.98 118.70 113.54 2tnf s GLU 116 Ca 0.02 0.39 -0.02 0.00 -0.41 0.00 0.00 54.97 54.94 2tnf s GLU 116 Cb -0.04 -0.76 -0.04 0.00 -1.78 0.00 0.00 34.13 31.50 2tnf s GLU 116 CO -0.00 -0.48 0.42 -1.25 -0.49 0.00 0.00 175.26 173.45 2tnf s PRO 117 N 2.31 3.55 -0.02 0.39 0.04 -1.26 -0.48 135.00 139.53 2tnf s PRO 117 Ca 0.04 -0.26 0.01 0.00 0.04 0.00 0.00 61.00 60.83 2tnf s PRO 117 Cb -0.14 -2.80 0.02 0.00 0.04 0.00 0.00 34.50 31.61 2tnf s PRO 117 CO -0.09 0.37 -0.01 0.42 0.04 0.00 0.00 177.00 177.73 2tnf s ILE 118 N -1.89 0.23 -0.06 0.56 1.01 -0.24 -4.99 121.20 115.83 2tnf s ILE 118 Ca 0.40 -0.01 0.06 0.00 0.00 0.00 0.00 60.65 61.10 2tnf s ILE 118 Cb -0.11 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 2tnf s ILE 118 CO 0.29 0.13 -0.24 -0.47 0.00 0.00 0.00 174.94 174.65 2tnf s TYR 119 N 0.65 2.46 0.02 3.97 5.04 -1.26 -1.60 117.35 126.63 2tnf s TYR 119 Ca -0.07 -0.64 0.04 0.00 -2.44 0.00 0.00 57.07 53.96 2tnf s TYR 119 Cb -0.10 -1.60 -0.02 0.00 0.35 0.00 0.00 41.96 40.60 2tnf s TYR 119 CO -0.01 -0.16 -0.12 -0.51 -1.34 0.00 0.00 175.55 173.41 2tnf s LEU 120 N -0.25 2.13 -0.29 6.97 1.43 0.08 -5.00 118.68 123.76 2tnf s LEU 120 Ca -0.01 -0.38 -0.23 0.00 -1.03 0.00 0.00 54.13 52.49 2tnf s LEU 120 Cb -0.13 -0.50 0.16 0.00 0.03 0.00 0.00 46.19 45.74 2tnf s LEU 120 CO 0.03 0.03 1.17 -0.83 0.23 0.00 0.00 176.35 176.98 2tnf s GLY 121 N -0.90 0.11 0.06 -3.19 0.00 -1.26 -0.84 107.32 101.30 2tnf s GLY 121 Ca 0.01 3.13 -0.28 0.00 0.00 0.00 0.00 44.72 47.58 2tnf s GLY 121 CO 0.01 2.08 1.04 -0.32 0.00 0.00 0.00 173.10 175.91 2tnf s GLY 122 N 0.43 -0.32 -0.14 0.20 0.00 -0.03 -4.99 107.32 102.46 2tnf s GLY 122 Ca 0.01 0.54 -0.06 0.00 0.00 0.00 0.00 44.72 45.21 2tnf s GLY 122 CO -0.11 0.13 0.08 0.14 0.00 0.00 0.00 173.10 173.34 2tnf s VAL 123 N -2.99 4.97 0.02 1.40 1.01 -1.26 -0.95 120.40 122.60 2tnf s VAL 123 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2tnf s VAL 123 Cb 0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 2tnf s VAL 123 CO -0.02 0.55 -0.03 -0.36 0.00 0.00 0.00 175.10 175.24 2tnf s PHE 124 N -0.40 0.26 -0.28 5.22 0.08 -0.16 -4.97 117.98 117.74 2tnf s PHE 124 Ca 0.10 -0.39 -0.22 0.00 0.12 0.00 0.00 56.93 56.54 2tnf s PHE 124 Cb -0.12 -0.18 -0.01 0.00 -0.57 0.00 0.00 43.02 42.14 2tnf s PHE 124 CO 0.02 -0.13 0.70 -1.14 -0.10 0.00 0.00 175.22 174.57 2tnf s GLN 125 N -1.09 4.04 0.29 0.44 2.00 -1.26 -0.97 119.66 123.10 2tnf s GLN 125 Ca -0.11 0.56 0.10 0.00 -2.00 0.00 0.00 55.36 53.91 2tnf s GLN 125 Cb -0.07 -3.69 -0.05 0.00 0.80 0.00 0.00 33.01 30.00 2tnf s GLN 125 CO -0.01 -0.53 -0.15 -0.51 -0.50 0.00 0.00 175.29 173.59 2tnf s LEU 126 N 2.69 2.62 0.14 3.68 1.43 0.33 -4.96 118.68 124.61 2tnf s LEU 126 Ca 0.29 -1.09 0.05 0.00 -1.03 0.00 0.00 54.13 52.35 2tnf s LEU 126 Cb -0.15 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2tnf s LEU 126 CO 0.10 -0.08 0.06 -1.61 0.23 0.00 0.00 176.35 175.05 2tnf s GLU 127 N -3.57 2.67 0.15 1.70 2.02 -1.26 -1.07 118.70 119.34 2tnf s GLU 127 Ca 0.30 -0.91 -0.34 0.00 0.02 0.00 0.00 54.97 54.03 2tnf s GLU 127 Cb -0.02 -2.54 -0.15 0.00 0.10 0.00 0.00 34.13 31.51 2tnf s GLU 127 CO 0.14 0.50 1.36 1.17 0.02 0.00 0.00 175.26 178.46 2tnf n LYS 128 N 0.02 1.53 -0.12 1.61 4.81 -1.25 -1.18 118.16 123.58 2tnf n LYS 128 Ca -0.09 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 2tnf n LYS 128 Cb 0.54 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.40 2tnf n LYS 128 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2tnf n GLY 129 N 2.55 1.93 3.78 3.14 0.00 -0.10 -4.83 105.19 111.66 2tnf n GLY 129 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2tnf n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2tnf s ASP 130 N -3.36 6.27 -0.19 1.61 1.01 -0.32 -4.55 116.67 117.14 2tnf s ASP 130 Ca 0.00 3.03 -0.04 0.00 0.71 0.00 0.00 52.55 56.25 2tnf s ASP 130 Cb 0.00 -2.67 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 2tnf s ASP 130 CO 0.00 -0.92 -0.02 -1.10 0.21 0.00 0.00 175.17 173.34 2tnf s GLN 131 N -2.15 3.60 -0.13 8.23 -0.21 -0.53 -2.29 119.66 126.18 2tnf s GLN 131 Ca 0.54 -0.54 -0.04 0.00 0.02 0.00 0.00 55.36 55.34 2tnf s GLN 131 Cb -0.46 -3.00 -0.03 0.00 1.00 0.00 0.00 33.01 30.52 2tnf s GLN 131 CO 0.62 0.07 -0.01 -0.51 -2.12 0.00 0.00 175.29 173.34 2tnf s LEU 132 N 0.83 3.46 0.07 2.90 1.43 0.99 -0.19 118.68 128.18 2tnf s LEU 132 Ca -0.00 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 2tnf s LEU 132 Cb -0.14 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2tnf s LEU 132 CO 0.02 0.25 -0.21 -0.94 0.23 0.00 0.00 176.35 175.69 2tnf s SER 133 N -0.09 2.58 -0.23 2.29 1.04 -0.78 -0.90 113.70 117.61 2tnf s SER 133 Ca 0.04 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2tnf s SER 133 Cb -0.13 -0.19 0.06 0.00 0.10 0.00 0.00 66.02 65.87 2tnf s SER 133 CO 0.02 0.13 -0.04 0.00 0.98 0.00 0.00 173.24 174.33 2tnf s ALA 134 N -0.95 1.84 0.20 5.32 0.00 -1.26 -0.83 121.76 126.08 2tnf s ALA 134 Ca 0.08 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.79 2tnf s ALA 134 Cb -0.09 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 2tnf s ALA 134 CO 0.03 -1.17 0.03 -1.21 0.00 0.00 0.00 175.76 173.44 2tnf s GLU 135 N 1.45 1.19 0.16 0.00 0.41 -0.45 -4.99 118.70 116.48 2tnf s GLU 135 Ca -0.05 -1.60 0.07 0.00 -0.41 0.00 0.00 54.97 52.99 2tnf s GLU 135 Cb -0.18 -0.28 -0.04 0.00 -1.78 0.00 0.00 34.13 31.84 2tnf s GLU 135 CO -0.06 -0.17 -0.16 0.14 -0.49 0.00 0.00 175.26 174.52 2tnf s VAL 136 N -3.67 1.62 0.13 2.63 -7.23 -1.26 -0.61 120.40 112.01 2tnf s VAL 136 Ca 0.28 -1.93 -0.06 0.00 -1.81 0.00 0.00 61.98 58.46 2tnf s VAL 136 Cb 0.06 -1.79 -0.16 0.00 0.56 0.00 0.00 36.38 35.05 2tnf s VAL 136 CO 0.07 -0.43 1.33 -0.55 -0.31 0.00 0.00 175.10 175.20 2tnf h ASN 137 N 3.16 0.65 -3.05 4.85 -1.07 -1.89 -3.40 115.58 114.83 2tnf h ASN 137 Ca -0.40 -0.47 -0.61 0.00 0.07 0.00 0.00 56.30 54.88 2tnf h ASN 137 Cb 1.21 -0.20 -0.41 0.00 -2.07 0.00 0.00 38.32 36.85 2tnf h ASN 137 CO 0.54 1.26 -0.71 -0.76 0.07 0.00 0.00 177.43 177.83 2tnf s LEU 138 N -7.98 3.57 0.17 6.14 1.43 -1.26 -4.96 118.68 115.80 2tnf s LEU 138 Ca -0.07 -3.41 0.13 0.00 -1.03 0.00 0.00 54.13 49.75 2tnf s LEU 138 Cb 0.09 -1.23 0.67 0.00 0.03 0.00 0.00 46.19 45.75 2tnf s LEU 138 CO 0.87 -0.14 1.40 -0.81 0.23 0.00 0.00 176.35 177.90 2tnf n PRO 139 N 2.51 0.08 0.31 1.29 -0.04 -1.26 -2.47 135.00 135.42 2tnf n PRO 139 Ca 0.20 0.55 0.17 0.00 -0.04 0.00 0.00 63.50 64.38 2tnf n PRO 139 Cb 0.38 -1.75 0.99 0.00 -0.04 0.00 0.00 33.50 33.09 2tnf n PRO 139 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2tnf h LYS 140 N 0.00 0.00 -0.04 0.54 1.57 -1.93 -1.69 116.57 115.01 2tnf h LYS 140 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2tnf h LYS 140 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2tnf h LYS 140 CO 0.00 0.01 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 2tnf n TYR 141 N -3.57 0.03 -2.08 -1.35 4.01 -1.03 -4.61 117.16 108.56 2tnf n TYR 141 Ca -0.03 -0.01 -0.40 0.00 -0.16 0.00 0.00 57.90 57.30 2tnf n TYR 141 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 2tnf n TYR 141 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2tnf s LEU 142 N -1.96 4.25 -0.20 7.72 1.43 -0.64 0.11 118.68 129.38 2tnf s LEU 142 Ca 0.33 2.64 0.01 0.00 -1.03 0.00 0.00 54.13 56.09 2tnf s LEU 142 Cb 0.20 -3.87 0.03 0.00 0.03 0.00 0.00 46.19 42.59 2tnf s LEU 142 CO 0.32 -0.79 -0.16 -0.62 0.23 0.00 0.00 176.35 175.33 2tnf s ASP 143 N -0.72 3.50 -0.02 2.29 2.15 -0.29 -4.77 116.67 118.80 2tnf s ASP 143 Ca 0.56 -0.87 0.08 0.00 0.43 0.00 0.00 52.55 52.74 2tnf s ASP 143 Cb -0.38 -1.46 0.22 0.00 -0.30 0.00 0.00 42.92 41.00 2tnf s ASP 143 CO 0.49 -0.07 1.17 0.49 -0.17 0.00 0.00 175.17 177.08 2tnf n PHE 144 N 4.58 0.32 -0.33 -5.34 3.72 -1.26 -4.66 117.46 114.49 2tnf n PHE 144 Ca -0.18 -0.55 0.13 0.00 -0.05 0.00 0.00 57.45 56.80 2tnf n PHE 144 Cb 0.47 -0.06 0.27 0.00 -0.94 0.00 0.00 39.48 39.22 2tnf n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2tnf h ALA 145 N 1.21 1.10 -2.23 4.37 0.00 -1.93 -3.41 119.26 118.37 2tnf h ALA 145 Ca 0.00 0.33 -0.57 0.00 0.00 0.00 0.00 54.91 54.67 2tnf h ALA 145 Cb 0.72 0.57 -0.11 0.00 0.00 0.00 0.00 17.79 18.97 2tnf h ALA 145 CO 0.02 -0.54 -0.67 -1.21 0.00 0.00 0.00 179.25 176.85 2tnf s GLU 146 N -6.03 2.15 0.58 0.00 0.41 -1.26 -5.13 118.70 109.43 2tnf s GLU 146 Ca -0.13 -1.49 -0.14 0.00 -0.41 0.00 0.00 54.97 52.80 2tnf s GLU 146 Cb 0.28 -2.08 -0.05 0.00 -1.78 0.00 0.00 34.13 30.50 2tnf s GLU 146 CO 0.78 0.36 1.02 -1.12 -0.49 0.00 0.00 175.26 175.81 2tnf s SER 147 N -3.61 6.20 0.00 -0.19 0.01 -1.26 -3.93 113.70 110.92 2tnf s SER 147 Ca 0.31 1.57 0.00 0.00 1.31 0.00 0.00 55.95 59.14 2tnf s SER 147 Cb -0.06 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2tnf s SER 147 CO 0.19 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2tnf n GLY 148 N -1.88 0.71 0.09 3.44 0.00 -1.26 -4.94 105.19 101.36 2tnf n GLY 148 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 2tnf n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2tnf n GLN 149 N -2.52 0.66 -3.85 1.61 6.02 -1.25 -4.86 117.38 113.19 2tnf n GLN 149 Ca 0.00 0.18 -0.25 0.00 -0.01 0.00 0.00 57.00 56.92 2tnf n GLN 149 Cb 0.00 -1.69 -0.17 0.00 1.02 0.00 0.00 30.24 29.40 2tnf n GLN 149 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2tnf s VAL 150 N -2.56 0.72 0.20 5.09 1.01 -1.26 -3.68 120.40 119.93 2tnf s VAL 150 Ca -0.07 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 2tnf s VAL 150 Cb 0.07 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.67 2tnf s VAL 150 CO 0.82 0.32 0.48 -0.72 0.00 0.00 0.00 175.10 176.00 2tnf s TYR 151 N 1.81 0.07 -0.19 5.22 -0.85 -0.31 -2.19 117.35 120.92 2tnf s TYR 151 Ca 0.05 -0.43 -0.08 0.00 -0.52 0.00 0.00 57.07 56.09 2tnf s TYR 151 Cb -0.12 0.28 0.08 0.00 0.38 0.00 0.00 41.96 42.58 2tnf s TYR 151 CO -0.07 -0.91 0.41 0.12 -1.52 0.00 0.00 175.55 173.58 2tnf s PHE 152 N -3.92 -0.72 0.08 -3.49 5.36 0.02 -1.07 117.98 114.23 2tnf s PHE 152 Ca 0.13 1.43 0.05 0.00 -0.96 0.00 0.00 56.93 57.58 2tnf s PHE 152 Cb -0.00 0.28 -0.03 0.00 -0.34 0.00 0.00 43.02 42.92 2tnf s PHE 152 CO 0.00 -0.44 -0.12 0.20 -1.46 0.00 0.00 175.22 173.40 2tnf s GLY 153 N 2.25 0.85 -0.08 13.12 0.00 0.63 -0.34 107.32 123.75 2tnf s GLY 153 Ca -0.04 -1.06 -0.03 0.00 0.00 0.00 0.00 44.72 43.59 2tnf s GLY 153 CO -0.13 -1.11 0.16 0.14 0.00 0.00 0.00 173.10 172.17 2tnf s VAL 154 N -1.69 -0.25 -0.07 1.40 1.01 -0.33 -1.03 120.40 119.45 2tnf s VAL 154 Ca 0.00 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.34 2tnf s VAL 154 Cb -0.08 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.03 2tnf s VAL 154 CO 0.02 0.14 -0.08 0.27 0.00 0.00 0.00 175.10 175.45 2tnf s ILE 155 N 2.22 0.88 0.16 2.22 -4.36 0.70 -0.63 121.20 122.38 2tnf s ILE 155 Ca 0.02 -0.30 -0.30 0.00 -0.26 0.00 0.00 60.65 59.81 2tnf s ILE 155 Cb -0.12 -0.86 -0.08 0.00 1.25 0.00 0.00 42.46 42.65 2tnf s ILE 155 CO -0.06 0.31 1.29 0.00 0.24 0.00 0.00 174.94 176.72 2tnf s ALA 156 N 0.99 3.51 -2.67 2.27 0.00 -0.15 -0.61 121.76 125.09 2tnf s ALA 156 Ca -0.09 1.05 0.27 0.00 0.00 0.00 0.00 51.96 53.18 2tnf s ALA 156 Cb -0.15 -3.48 0.76 0.00 0.00 0.00 0.00 23.12 20.26 2tnf s ALA 156 CO 0.00 -0.51 1.58 1.28 0.00 0.00 0.00 175.76 178.11