#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tnf s ASP 10 N 0.00 7.27 0.05 4.04 2.15 -1.26 -4.98 116.67 123.94 2tnf s ASP 10 Ca 0.00 2.06 -0.30 0.00 0.43 0.00 0.00 52.55 54.74 2tnf s ASP 10 Cb 0.00 -2.60 -0.08 0.00 -0.30 0.00 0.00 42.92 39.94 2tnf s ASP 10 CO 0.00 -0.22 1.70 -0.54 -0.17 0.00 0.00 175.17 175.94 2tnf s LYS 11 N -0.25 4.18 0.25 4.34 1.02 -1.26 -4.87 119.74 123.16 2tnf s LYS 11 Ca 0.50 2.36 -0.31 0.00 0.02 0.00 0.00 55.97 58.54 2tnf s LYS 11 Cb -0.29 -3.72 -0.12 0.00 -0.52 0.00 0.00 37.83 33.18 2tnf s LYS 11 CO 0.34 -0.79 1.59 -2.30 -0.92 0.00 0.00 175.35 173.27 2tnf n PRO 12 N 6.07 2.56 -3.73 -1.68 -0.02 -1.26 -4.64 135.00 132.29 2tnf n PRO 12 Ca 0.17 0.91 -0.14 0.00 -2.02 0.00 0.00 63.50 62.42 2tnf n PRO 12 Cb 0.41 -2.69 -0.09 0.00 -0.02 0.00 0.00 33.50 31.11 2tnf n PRO 12 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2tnf s VAL 13 N 0.31 0.03 -0.18 -1.45 0.11 -1.00 -1.16 120.40 117.07 2tnf s VAL 13 Ca 0.68 -0.26 -0.16 0.00 -2.93 0.00 0.00 61.98 59.31 2tnf s VAL 13 Cb -0.54 -0.63 0.05 0.00 -1.53 0.00 0.00 36.38 33.73 2tnf s VAL 13 CO 0.44 -0.15 0.48 0.00 -3.33 0.00 0.00 175.10 172.54 2tnf s ALA 14 N -0.78 -1.18 -0.29 1.54 0.00 0.10 -0.99 121.76 120.16 2tnf s ALA 14 Ca -0.09 1.38 -0.01 0.00 0.00 0.00 0.00 51.96 53.25 2tnf s ALA 14 Cb -0.04 -0.81 0.13 0.00 0.00 0.00 0.00 23.12 22.41 2tnf s ALA 14 CO 0.03 -0.23 0.29 -1.58 0.00 0.00 0.00 175.76 174.27 2tnf s HIS 15 N 0.37 -0.42 0.15 0.00 2.46 0.30 -1.01 115.29 117.14 2tnf s HIS 15 Ca -0.01 -0.21 0.05 0.00 0.47 0.00 0.00 55.06 55.36 2tnf s HIS 15 Cb -0.04 -0.49 -0.04 0.00 -0.13 0.00 0.00 32.58 31.89 2tnf s HIS 15 CO -0.01 -0.92 0.13 0.14 -2.47 0.00 0.00 174.74 171.61 2tnf s VAL 16 N 2.35 4.50 0.18 0.89 -7.23 0.91 -0.77 120.40 121.22 2tnf s VAL 16 Ca 0.09 -1.01 0.10 0.00 -1.81 0.00 0.00 61.98 59.35 2tnf s VAL 16 Cb -0.14 -3.27 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 2tnf s VAL 16 CO -0.33 -0.06 -0.21 0.68 -0.31 0.00 0.00 175.10 174.87 2tnf s VAL 17 N -1.68 2.06 0.43 1.32 -7.23 -0.52 -1.19 120.40 113.59 2tnf s VAL 17 Ca 0.31 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 58.27 2tnf s VAL 17 Cb -0.10 -1.96 -0.08 0.00 0.56 0.00 0.00 36.38 34.79 2tnf s VAL 17 CO 0.23 -0.22 1.19 0.00 -0.31 0.00 0.00 175.10 176.00 2tnf s ALA 18 N -1.85 3.09 -0.31 1.32 0.00 -0.98 -0.21 121.76 122.82 2tnf s ALA 18 Ca 0.18 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 2tnf s ALA 18 Cb -0.07 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2tnf s ALA 18 CO 0.08 -0.65 1.32 1.21 0.00 0.00 0.00 175.76 177.72 2tnf s ASN 19 N -1.16 6.64 0.18 0.00 3.84 0.40 -4.84 114.94 120.00 2tnf s ASN 19 Ca 0.60 1.19 0.25 0.00 0.21 0.00 0.00 52.86 55.11 2tnf s ASN 19 Cb -0.31 -2.54 0.91 0.00 -0.55 0.00 0.00 41.25 38.75 2tnf s ASN 19 CO 0.39 -1.11 1.75 0.00 -2.79 0.00 0.00 177.10 175.34 2tnf n HIS 20 N 7.72 0.70 1.48 0.43 1.44 -1.26 -3.31 115.22 122.43 2tnf n HIS 20 Ca 0.15 0.23 0.14 0.00 -2.01 0.00 0.00 57.72 56.23 2tnf n HIS 20 Cb 0.47 -0.87 0.67 0.00 0.12 0.00 0.00 29.99 30.37 2tnf n HIS 20 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2tnf n GLN 21 N -2.10 0.71 -3.90 -1.40 6.02 -1.26 -4.50 117.38 110.95 2tnf n GLN 21 Ca 0.04 -0.19 -0.32 0.00 -0.01 0.00 0.00 57.00 56.52 2tnf n GLN 21 Cb 0.34 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.97 2tnf n GLN 21 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2tnf s VAL 22 N -2.42 2.82 0.44 5.09 -7.23 -1.21 -5.10 120.40 112.79 2tnf s VAL 22 Ca 0.31 -2.89 -0.23 0.00 -1.81 0.00 0.00 61.98 57.36 2tnf s VAL 22 Cb 0.20 -2.95 -0.08 0.00 0.56 0.00 0.00 36.38 34.12 2tnf s VAL 22 CO 0.46 -0.76 1.15 -1.83 -0.31 0.00 0.00 175.10 173.81 2tnf s GLU 23 N 0.19 3.85 0.00 4.82 -1.05 -1.26 -3.53 118.70 121.72 2tnf s GLU 23 Ca 0.15 1.75 0.00 0.00 -0.15 0.00 0.00 54.97 56.71 2tnf s GLU 23 Cb -0.23 -2.46 0.00 0.00 -0.44 0.00 0.00 34.13 31.00 2tnf s GLU 23 CO -0.03 -0.46 0.00 0.39 0.95 0.00 0.00 175.26 176.10 2tnf n GLU 24 N -0.36 -0.78 -4.06 -4.83 1.02 -1.26 -4.99 120.64 105.38 2tnf n GLU 24 Ca 0.07 0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 57.31 2tnf n GLU 24 Cb 0.48 -3.84 -0.11 0.00 -0.02 0.00 0.00 31.44 27.96 2tnf n GLU 24 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2tnf s GLN 25 N -0.84 0.53 -0.48 3.49 -0.21 -1.23 -3.23 119.66 117.69 2tnf s GLN 25 Ca 0.00 -0.98 -0.06 0.00 0.02 0.00 0.00 55.36 54.35 2tnf s GLN 25 Cb 0.00 0.06 0.12 0.00 1.00 0.00 0.00 33.01 34.19 2tnf s GLN 25 CO 0.00 -0.06 0.31 -1.17 -2.12 0.00 0.00 175.29 172.25 2tnf s LEU 26 N -2.29 5.47 -0.24 2.90 2.96 -1.26 -4.90 118.68 121.32 2tnf s LEU 26 Ca -0.02 -2.13 -0.02 0.00 -0.22 0.00 0.00 54.13 51.75 2tnf s LEU 26 Cb -0.01 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.79 2tnf s LEU 26 CO -0.05 -0.58 -0.07 -0.70 -1.32 0.00 0.00 176.35 173.63 2tnf s GLU 27 N 1.02 2.93 0.17 1.98 2.12 -1.26 -5.02 118.70 120.65 2tnf s GLU 27 Ca 0.09 -0.91 -0.30 0.00 0.36 0.00 0.00 54.97 54.21 2tnf s GLU 27 Cb -0.23 -2.94 -0.07 0.00 0.26 0.00 0.00 34.13 31.14 2tnf s GLU 27 CO -0.03 -0.35 0.99 -1.58 -0.54 0.00 0.00 175.26 173.76 2tnf s TRP 28 N 1.34 3.80 0.07 5.30 0.52 -1.26 -0.45 118.94 128.26 2tnf s TRP 28 Ca 0.02 1.78 0.08 0.00 0.02 0.00 0.00 56.10 58.00 2tnf s TRP 28 Cb -0.16 -3.10 -0.03 0.00 -1.15 0.00 0.00 33.47 29.03 2tnf s TRP 28 CO -0.05 0.05 -0.22 -0.51 0.02 0.00 0.00 176.95 176.24 2tnf s LEU 29 N -0.48 2.23 -0.00 2.99 1.43 0.71 -4.91 118.68 120.64 2tnf s LEU 29 Ca 0.46 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2tnf s LEU 29 Cb -0.26 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 2tnf s LEU 29 CO 0.32 0.14 0.04 -1.54 0.23 0.00 0.00 176.35 175.53 2tnf n SER 30 N 1.48 4.34 -2.98 2.29 3.41 -1.26 -1.44 113.62 119.45 2tnf n SER 30 Ca -0.18 -0.04 -0.34 0.00 -0.26 0.00 0.00 58.87 58.06 2tnf n SER 30 Cb 0.53 1.06 -0.03 0.00 -0.26 0.00 0.00 64.21 65.52 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 -1.52 3.49 -4.19 4.33 6.02 -1.26 -4.26 117.38 119.99 2tnf n GLN 31 Ca -0.00 -3.00 -0.13 0.00 -0.01 0.00 0.00 57.00 53.86 2tnf n GLN 31 Cb 0.04 -2.36 -0.10 0.00 1.02 0.00 0.00 30.24 28.83 2tnf n GLN 31 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2tnf s ARG 32 N -1.80 0.90 0.33 -1.09 1.81 -1.26 -5.10 118.95 112.74 2tnf s ARG 32 Ca 0.55 -1.32 -0.29 0.00 -1.72 0.00 0.00 55.73 52.95 2tnf s ARG 32 Cb 0.30 -0.41 -0.10 0.00 -0.45 0.00 0.00 34.95 34.29 2tnf s ARG 32 CO -0.18 0.03 1.35 0.00 -0.68 0.00 0.00 175.30 175.83 2tnf s ALA 33 N -3.24 3.53 -1.14 2.13 0.00 -1.26 -2.34 121.76 119.43 2tnf s ALA 33 Ca 0.12 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2tnf s ALA 33 Cb 0.02 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2tnf s ALA 33 CO -0.02 -0.73 0.00 0.09 0.00 0.00 0.00 175.76 175.10 2tnf n ASN 34 N 0.90 -4.13 -4.35 0.00 3.02 -1.26 -5.02 115.26 104.42 2tnf n ASN 34 Ca 0.01 0.14 -0.26 0.00 -0.03 0.00 0.00 54.58 54.44 2tnf n ASN 34 Cb 0.41 -3.01 -0.13 0.00 -0.61 0.00 0.00 39.78 36.45 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 -2.52 2.17 0.03 5.41 0.00 -0.99 -4.97 121.76 120.89 2tnf s ALA 35 Ca 0.00 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.57 2tnf s ALA 35 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2tnf s ALA 35 CO 0.00 0.44 -0.06 -0.51 0.00 0.00 0.00 175.76 175.63 2tnf s LEU 36 N -2.11 2.21 -0.36 0.00 1.43 0.05 -4.78 118.68 115.11 2tnf s LEU 36 Ca 0.12 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 2tnf s LEU 36 Cb -0.09 -0.12 0.19 0.00 0.03 0.00 0.00 46.19 46.19 2tnf s LEU 36 CO 0.06 -0.17 0.68 -0.22 0.23 0.00 0.00 176.35 176.93 2tnf s LEU 37 N -1.28 -1.38 0.29 1.79 2.96 -1.25 -0.54 118.68 119.28 2tnf s LEU 37 Ca -0.09 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 2tnf s LEU 37 Cb -0.08 1.79 -0.01 0.00 0.50 0.00 0.00 46.19 48.39 2tnf s LEU 37 CO 0.00 -0.19 0.39 0.00 -1.32 0.00 0.00 176.35 175.23 2tnf s ALA 38 N 2.22 0.66 -1.35 5.97 0.00 -0.16 -4.93 121.76 124.18 2tnf s ALA 38 Ca 0.15 -1.43 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 2tnf s ALA 38 Cb -0.05 1.20 0.07 0.00 0.00 0.00 0.00 23.12 24.34 2tnf s ALA 38 CO -0.14 -0.76 0.54 0.09 0.00 0.00 0.00 175.76 175.49 2tnf n ASN 39 N -0.92 -4.10 0.00 0.00 3.02 -1.26 -2.12 115.26 109.88 2tnf n ASN 39 Ca 0.01 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 2tnf n ASN 39 Cb 0.63 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 36.43 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 -1.26 1.71 3.77 7.41 0.00 -1.26 -3.98 105.19 111.58 2tnf n GLY 40 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.63 4.35 0.09 1.61 -1.94 -0.90 -4.06 119.30 117.81 2tnf s MET 41 Ca 0.00 2.02 0.07 0.00 -1.71 0.00 0.00 55.69 56.07 2tnf s MET 41 Cb 0.00 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.81 2tnf s MET 41 CO 0.00 -0.12 -0.19 0.34 -0.01 0.00 0.00 175.02 175.04 2tnf s ASP 42 N -0.75 2.29 -0.29 3.03 2.15 -0.78 -4.52 116.67 117.81 2tnf s ASP 42 Ca 0.50 -0.64 0.02 0.00 0.43 0.00 0.00 52.55 52.85 2tnf s ASP 42 Cb -0.36 -0.12 0.06 0.00 -0.30 0.00 0.00 42.92 42.20 2tnf s ASP 42 CO 0.46 0.04 -0.05 -0.22 -0.17 0.00 0.00 175.17 175.23 2tnf s LEU 43 N -1.75 3.79 -0.04 -1.34 2.96 -1.26 -0.47 118.68 120.56 2tnf s LEU 43 Ca 0.04 -1.48 -0.00 0.00 -0.22 0.00 0.00 54.13 52.47 2tnf s LEU 43 Cb -0.10 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 45.01 2tnf s LEU 43 CO 0.03 -0.24 -0.00 -0.75 -1.32 0.00 0.00 176.35 174.07 2tnf s LYS 44 N 1.12 0.41 -1.45 1.98 2.20 -0.11 -4.84 119.74 119.05 2tnf s LYS 44 Ca -0.05 0.08 -0.09 0.00 -0.36 0.00 0.00 55.97 55.56 2tnf s LYS 44 Cb -0.20 -0.65 0.05 0.00 -1.51 0.00 0.00 37.83 35.53 2tnf s LYS 44 CO -0.04 -0.18 0.89 -0.25 -0.36 0.00 0.00 175.35 175.40 2tnf n ASP 45 N 4.45 -3.55 -0.92 1.43 8.00 -1.26 -1.27 116.55 123.42 2tnf n ASP 45 Ca -0.20 -0.79 -0.12 0.00 0.71 0.00 0.00 54.79 54.39 2tnf n ASP 45 Cb 0.50 -3.98 -0.05 0.00 -0.02 0.00 0.00 41.12 37.57 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 -2.92 -4.96 -4.29 -2.24 5.15 -1.26 -4.99 115.26 99.74 2tnf n ASN 46 Ca -0.08 0.30 -0.26 0.00 -0.60 0.00 0.00 54.58 53.94 2tnf n ASN 46 Cb 0.58 -3.53 -0.13 0.00 -0.53 0.00 0.00 39.78 36.17 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 -2.91 1.33 -0.25 1.20 -0.21 -0.40 -4.72 119.66 113.71 2tnf s GLN 47 Ca 0.00 -1.08 -0.19 0.00 0.02 0.00 0.00 55.36 54.11 2tnf s GLN 47 Cb 0.00 -1.55 -0.02 0.00 1.00 0.00 0.00 33.01 32.44 2tnf s GLN 47 CO 0.00 0.38 0.56 -0.51 -2.12 0.00 0.00 175.29 173.60 2tnf s LEU 48 N -1.55 4.06 -0.22 2.90 1.43 0.11 -0.94 118.68 124.48 2tnf s LEU 48 Ca 0.08 0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 53.73 2tnf s LEU 48 Cb -0.09 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 2tnf s LEU 48 CO 0.03 -0.31 0.05 -0.69 0.23 0.00 0.00 176.35 175.66 2tnf s VAL 49 N 2.33 4.32 0.18 -1.59 1.01 0.38 -0.11 120.40 126.91 2tnf s VAL 49 Ca 0.23 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 2tnf s VAL 49 Cb -0.16 -2.99 -0.08 0.00 0.00 0.00 0.00 36.38 33.16 2tnf s VAL 49 CO 0.09 0.39 0.81 0.68 0.00 0.00 0.00 175.10 177.07 2tnf s VAL 50 N 1.20 4.32 -1.42 2.92 -7.23 -0.98 -1.87 120.40 117.34 2tnf s VAL 50 Ca 0.04 1.79 0.28 0.00 -1.81 0.00 0.00 61.98 62.28 2tnf s VAL 50 Cb -0.14 -4.18 0.30 0.00 0.56 0.00 0.00 36.38 32.92 2tnf s VAL 50 CO 0.03 0.51 1.74 -0.81 -0.31 0.00 0.00 175.10 176.26 2tnf n PRO 51 N 1.62 0.45 -3.50 4.82 -0.04 -1.26 -0.85 135.00 136.25 2tnf n PRO 51 Ca -0.05 -0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 63.12 2tnf n PRO 51 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.67 -1.48 0.44 0.55 0.00 -1.26 -4.66 121.76 112.68 2tnf s ALA 52 Ca 0.22 0.33 -0.24 0.00 0.00 0.00 0.00 51.96 52.26 2tnf s ALA 52 Cb 0.19 0.87 -0.08 0.00 0.00 0.00 0.00 23.12 24.10 2tnf s ALA 52 CO 0.54 -0.79 1.25 -0.51 0.00 0.00 0.00 175.76 176.24 2tnf s ASP 53 N -2.78 6.16 0.00 0.00 1.11 -1.26 -3.79 116.67 116.11 2tnf s ASP 53 Ca 0.03 2.52 0.00 0.00 0.18 0.00 0.00 52.55 55.28 2tnf s ASP 53 Cb -0.01 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.35 2tnf s ASP 53 CO -0.10 -0.94 0.00 0.61 1.18 0.00 0.00 175.17 175.92 2tnf n GLY 54 N 0.61 -0.07 3.80 0.21 0.00 -0.62 -4.91 105.19 104.21 2tnf n GLY 54 Ca 0.06 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 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 4.49 -0.01 0.99 1.43 -1.26 -0.70 118.68 123.63 2tnf s LEU 55 Ca 0.00 1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 54.26 2tnf s LEU 55 Cb 0.00 -2.83 -0.00 0.00 0.03 0.00 0.00 46.19 43.39 2tnf s LEU 55 CO 0.00 0.24 0.02 -0.31 0.23 0.00 0.00 176.35 176.54 2tnf s TYR 56 N -0.87 0.02 -0.14 0.29 1.51 -0.14 -1.20 117.35 116.83 2tnf s TYR 56 Ca 0.28 -0.03 -0.20 0.00 -1.01 0.00 0.00 57.07 56.11 2tnf s TYR 56 Cb -0.19 -0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.60 2tnf s TYR 56 CO 0.17 -0.06 0.58 -1.17 -1.11 0.00 0.00 175.55 173.96 2tnf s LEU 57 N -0.30 4.24 -0.08 -1.29 2.96 0.13 -0.94 118.68 123.40 2tnf s LEU 57 Ca -0.03 0.89 0.03 0.00 -0.22 0.00 0.00 54.13 54.80 2tnf s LEU 57 Cb -0.02 -2.84 0.01 0.00 0.50 0.00 0.00 46.19 43.84 2tnf s LEU 57 CO -0.00 -0.12 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.07 2tnf s VAL 58 N 1.12 1.40 0.09 1.68 1.01 0.04 -0.57 120.40 125.17 2tnf s VAL 58 Ca 0.29 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 2tnf s VAL 58 Cb -0.16 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.96 2tnf s VAL 58 CO 0.12 0.42 0.21 -0.72 0.00 0.00 0.00 175.10 175.13 2tnf s TYR 59 N 0.65 0.12 -0.08 5.22 -0.85 -0.19 -1.03 117.35 121.20 2tnf s TYR 59 Ca -0.14 -0.54 -0.31 0.00 -0.52 0.00 0.00 57.07 55.56 2tnf s TYR 59 Cb -0.16 -0.03 0.08 0.00 0.38 0.00 0.00 41.96 42.23 2tnf s TYR 59 CO 0.04 -0.56 0.75 0.45 -1.52 0.00 0.00 175.55 174.70 2tnf s SER 60 N -2.86 -0.60 0.01 -0.18 0.15 -0.07 -0.27 113.70 109.88 2tnf s SER 60 Ca 0.05 0.67 0.03 0.00 0.70 0.00 0.00 55.95 57.40 2tnf s SER 60 Cb 0.05 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 2tnf s SER 60 CO -0.11 -0.55 -0.08 -1.58 1.20 0.00 0.00 173.24 172.12 2tnf s GLN 61 N -1.13 0.61 0.11 5.44 0.74 -0.21 -0.77 119.66 124.45 2tnf s GLN 61 Ca -0.09 -0.44 0.04 0.00 0.05 0.00 0.00 55.36 54.92 2tnf s GLN 61 Cb -0.00 -0.55 -0.04 0.00 1.10 0.00 0.00 33.01 33.52 2tnf s GLN 61 CO 0.08 0.14 -0.10 0.14 -0.55 0.00 0.00 175.29 175.00 2tnf s VAL 62 N -0.54 1.04 -0.07 1.34 -7.23 -0.40 -1.40 120.40 113.14 2tnf s VAL 62 Ca -0.00 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 2tnf s VAL 62 Cb -0.05 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.40 2tnf s VAL 62 CO 0.00 -0.59 -0.08 -0.22 -0.31 0.00 0.00 175.10 173.89 2tnf s LEU 63 N -2.63 1.40 0.14 1.32 2.96 -1.24 -1.26 118.68 119.37 2tnf s LEU 63 Ca 0.09 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.82 2tnf s LEU 63 Cb -0.02 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 2tnf s LEU 63 CO 0.00 -0.04 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.62 2tnf s PHE 64 N 1.03 2.87 -0.02 5.38 0.08 0.19 -0.99 117.98 126.51 2tnf s PHE 64 Ca -0.08 -0.11 -0.10 0.00 0.12 0.00 0.00 56.93 56.76 2tnf s PHE 64 Cb -0.14 -1.43 0.01 0.00 -0.57 0.00 0.00 43.02 40.89 2tnf s PHE 64 CO -0.00 0.49 0.22 0.21 -0.10 0.00 0.00 175.22 176.04 2tnf s LYS 65 N -2.65 0.51 0.24 0.44 2.20 0.13 -0.72 119.74 119.89 2tnf s LYS 65 Ca 0.26 -0.18 -0.19 0.00 -0.36 0.00 0.00 55.97 55.50 2tnf s LYS 65 Cb -0.10 0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.46 2tnf s LYS 65 CO 0.18 -0.12 0.62 0.20 -0.36 0.00 0.00 175.35 175.87 2tnf s GLY 66 N -1.06 -0.05 -0.03 5.54 0.00 -0.86 -4.67 107.32 106.19 2tnf s GLY 66 Ca -0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.31 2tnf s GLY 66 CO 0.02 -0.19 0.05 1.62 0.00 0.00 0.00 173.10 174.61 2tnf s GLN 67 N -3.91 -0.03 0.00 2.90 0.74 -1.26 -0.58 119.66 117.53 2tnf s GLN 67 Ca 0.11 0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.76 2tnf s GLN 67 Cb -0.03 -0.27 0.00 0.00 1.10 0.00 0.00 33.01 33.80 2tnf s GLN 67 CO 0.03 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 174.99 2tnf n GLY 68 N 4.34 2.75 3.91 2.59 0.00 -1.26 -4.65 105.19 112.87 2tnf n GLY 68 Ca -0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.86 0.00 -5.45 0.00 0.13 -1.88 -3.36 132.00 119.57 2tnf h PRO 70 Ca -0.61 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.06 2tnf h PRO 70 Cb 1.37 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.26 2tnf h PRO 70 CO 0.64 0.05 -0.80 -0.51 -0.23 0.00 0.00 178.00 177.16 2tnf s ASP 71 N -5.75 1.79 -0.37 1.44 1.01 -1.26 -4.76 116.67 108.78 2tnf s ASP 71 Ca -0.02 -0.49 -0.25 0.00 0.71 0.00 0.00 52.55 52.50 2tnf s ASP 71 Cb 0.12 -0.12 0.01 0.00 1.01 0.00 0.00 42.92 43.95 2tnf s ASP 71 CO 0.52 0.04 0.86 -0.47 0.21 0.00 0.00 175.17 176.34 2tnf s TYR 72 N -0.89 3.09 0.06 4.23 5.04 -1.25 -4.78 117.35 122.85 2tnf s TYR 72 Ca 0.02 0.66 0.08 0.00 -2.44 0.00 0.00 57.07 55.40 2tnf s TYR 72 Cb -0.08 -3.55 -0.03 0.00 0.35 0.00 0.00 41.96 38.64 2tnf s TYR 72 CO 0.01 -0.80 -0.21 0.14 -1.34 0.00 0.00 175.55 173.35 2tnf s VAL 74 N 3.32 2.56 -0.26 3.14 -7.23 -1.26 -5.01 120.40 115.66 2tnf s VAL 74 Ca 0.35 -1.36 -0.04 0.00 -1.81 0.00 0.00 61.98 59.13 2tnf s VAL 74 Cb -0.12 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.75 2tnf s VAL 74 CO 0.18 0.28 -0.01 -0.76 -0.31 0.00 0.00 175.10 174.48 2tnf s LEU 75 N -1.57 3.39 -0.15 1.32 1.43 -1.26 -4.15 118.68 117.69 2tnf s LEU 75 Ca 0.14 -0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 52.34 2tnf s LEU 75 Cb -0.10 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2tnf s LEU 75 CO 0.05 -0.14 0.33 -0.76 0.23 0.00 0.00 176.35 176.06 2tnf s LEU 76 N 1.40 4.26 0.09 1.79 1.43 0.52 -4.89 118.68 123.29 2tnf s LEU 76 Ca 0.02 0.58 0.08 0.00 -1.03 0.00 0.00 54.13 53.77 2tnf s LEU 76 Cb -0.17 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 2tnf s LEU 76 CO -0.02 0.09 -0.20 0.42 0.23 0.00 0.00 176.35 176.87 2tnf s THR 77 N 0.44 1.66 -0.05 5.49 -4.23 -1.26 -0.68 115.64 117.00 2tnf s THR 77 Ca 0.18 -1.50 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 2tnf s THR 77 Cb -0.13 -1.51 0.02 0.00 1.34 0.00 0.00 72.50 72.22 2tnf s THR 77 CO 0.05 -0.05 -0.04 -2.28 -0.54 0.00 0.00 174.62 171.75 2tnf s HIS 78 N -1.14 0.76 -0.05 3.99 5.04 -0.70 -2.50 115.29 120.69 2tnf s HIS 78 Ca 0.06 -0.22 -0.04 0.00 -1.54 0.00 0.00 55.06 53.32 2tnf s HIS 78 Cb -0.10 -0.69 0.02 0.00 0.04 0.00 0.00 32.58 31.86 2tnf s HIS 78 CO 0.04 -0.20 0.13 0.99 -2.34 0.00 0.00 174.74 173.35 2tnf s THR 79 N 0.98 -0.02 -0.22 0.89 2.01 -0.12 -1.47 115.64 117.69 2tnf s THR 79 Ca -0.10 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.92 2tnf s THR 79 Cb -0.14 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.15 2tnf s THR 79 CO -0.00 0.03 0.01 -0.69 -0.69 0.00 0.00 174.62 173.27 2tnf s VAL 80 N 0.50 3.86 0.30 3.82 1.01 0.56 -1.51 120.40 128.94 2tnf s VAL 80 Ca -0.04 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 61.72 2tnf s VAL 80 Cb -0.05 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 2tnf s VAL 80 CO -0.02 0.40 -0.08 -0.44 0.00 0.00 0.00 175.10 174.96 2tnf s SER 81 N 1.34 3.99 -0.12 3.32 0.01 -0.03 -0.36 113.70 121.86 2tnf s SER 81 Ca 0.04 -0.95 0.02 0.00 1.31 0.00 0.00 55.95 56.38 2tnf s SER 81 Cb -0.15 -0.50 -0.01 0.00 0.21 0.00 0.00 66.02 65.58 2tnf s SER 81 CO 0.01 -0.07 -0.19 -0.60 0.41 0.00 0.00 173.24 172.80 2tnf s ARG 82 N -3.62 3.21 -0.17 12.44 3.52 0.12 -1.82 118.95 132.62 2tnf s ARG 82 Ca 0.32 -0.79 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 2tnf s ARG 82 Cb -0.03 -2.46 0.03 0.00 -1.56 0.00 0.00 34.95 30.93 2tnf s ARG 82 CO 0.18 0.19 -0.13 0.12 -0.81 0.00 0.00 175.30 174.84 2tnf s PHE 83 N 0.36 2.35 0.11 5.12 5.36 0.08 -1.77 117.98 129.59 2tnf s PHE 83 Ca -0.15 -1.44 0.03 0.00 -0.96 0.00 0.00 56.93 54.42 2tnf s PHE 83 Cb -0.17 -1.65 -0.04 0.00 -0.34 0.00 0.00 43.02 40.82 2tnf s PHE 83 CO 0.07 -0.72 0.12 0.00 -1.46 0.00 0.00 175.22 173.24 2tnf s ALA 84 N 1.42 3.64 -1.12 11.12 0.00 -1.21 -0.78 121.76 134.84 2tnf s ALA 84 Ca 0.02 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 2tnf s ALA 84 Cb -0.14 -1.48 0.27 0.00 0.00 0.00 0.00 23.12 21.77 2tnf s ALA 84 CO -0.10 0.67 1.82 -0.89 0.00 0.00 0.00 175.76 177.26 2tnf n ILE 85 N 0.13 5.58 0.00 0.00 5.41 -1.26 -2.99 119.36 126.22 2tnf n ILE 85 Ca -0.08 -5.55 0.00 0.00 1.00 0.00 0.00 62.75 58.12 2tnf n ILE 85 Cb 0.53 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 2tnf n ILE 85 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2tnf n SER 86 N 1.03 0.00 -3.30 4.38 2.88 -1.26 -4.98 113.62 112.36 2tnf n SER 86 Ca 0.42 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.71 2tnf n SER 86 Cb 0.29 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.66 2tnf n SER 86 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2tnf n TYR 87 N -0.03 -0.99 -0.07 0.66 9.36 -1.16 -5.04 117.16 119.89 2tnf n TYR 87 Ca 0.00 -3.24 -0.01 0.00 3.32 0.00 0.00 57.90 57.97 2tnf n TYR 87 Cb 0.00 0.21 -0.01 0.00 -0.63 0.00 0.00 39.34 38.91 2tnf n TYR 87 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 2tnf n GLN 88 N 2.50 0.14 -3.72 2.98 -0.06 -1.17 -3.32 117.38 114.72 2tnf n GLN 88 Ca 0.27 -0.05 -0.13 0.00 -2.00 0.00 0.00 57.00 55.09 2tnf n GLN 88 Cb 0.50 -1.50 -0.10 0.00 -4.06 0.00 0.00 30.24 25.07 2tnf n GLN 88 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2tnf s GLU 89 N 2.38 0.50 0.31 3.69 -6.30 -1.26 -5.02 118.70 113.01 2tnf s GLU 89 Ca 0.03 0.62 -0.29 0.00 -2.50 0.00 0.00 54.97 52.83 2tnf s GLU 89 Cb 0.02 0.23 -0.10 0.00 0.00 0.00 0.00 34.13 34.28 2tnf s GLU 89 CO 0.00 -0.07 1.33 0.15 0.02 0.00 0.00 175.26 176.69 2tnf s LYS 90 N 0.29 4.34 -0.04 4.30 1.02 -1.26 -4.57 119.74 123.82 2tnf s LYS 90 Ca -0.01 2.23 0.03 0.00 0.02 0.00 0.00 55.97 58.25 2tnf s LYS 90 Cb -0.03 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 2tnf s LYS 90 CO -0.00 -0.23 -0.13 0.14 -0.92 0.00 0.00 175.35 174.21 2tnf s VAL 91 N -0.92 1.13 0.08 3.17 -7.23 -0.73 -4.95 120.40 110.95 2tnf s VAL 91 Ca 0.51 -0.53 -0.31 0.00 -1.81 0.00 0.00 61.98 59.84 2tnf s VAL 91 Cb -0.40 -0.99 -0.08 0.00 0.56 0.00 0.00 36.38 35.47 2tnf s VAL 91 CO 0.51 0.34 1.49 0.20 -0.31 0.00 0.00 175.10 177.33 2tnf s ASN 92 N 0.23 6.73 -0.26 4.85 -0.87 -1.26 -0.71 114.94 123.66 2tnf s ASN 92 Ca -0.06 2.37 0.01 0.00 -1.57 0.00 0.00 52.86 53.60 2tnf s ASN 92 Cb -0.11 -2.58 -0.16 0.00 -0.02 0.00 0.00 41.25 38.38 2tnf s ASN 92 CO 0.02 -0.76 -0.24 0.18 -2.57 0.00 0.00 177.10 173.73 2tnf n LEU 93 N 4.74 2.88 -3.81 0.60 4.77 0.51 -4.90 117.00 121.79 2tnf n LEU 93 Ca 0.13 -0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 2tnf n LEU 93 Cb 0.41 -0.88 -0.11 0.00 -2.33 0.00 0.00 43.42 40.51 2tnf n LEU 93 CO 0.60 0.90 -0.13 -0.76 -1.33 0.00 0.00 177.39 176.67 2tnf s LEU 94 N -6.58 1.24 -0.06 2.23 1.43 -0.93 -5.00 118.68 111.01 2tnf s LEU 94 Ca -0.35 0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 52.74 2tnf s LEU 94 Cb 0.09 0.74 0.08 0.00 0.03 0.00 0.00 46.19 47.13 2tnf s LEU 94 CO 0.58 -0.15 0.73 -0.55 0.23 0.00 0.00 176.35 177.19 2tnf s SER 95 N -0.23 -0.60 0.10 2.29 0.15 -1.26 -0.32 113.70 113.82 2tnf s SER 95 Ca -0.03 0.63 -0.15 0.00 0.70 0.00 0.00 55.95 57.10 2tnf s SER 95 Cb -0.03 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.81 2tnf s SER 95 CO 0.01 -0.58 0.37 0.00 1.20 0.00 0.00 173.24 174.24 2tnf s ALA 96 N -1.28 -0.84 0.04 5.45 0.00 -0.54 -5.01 121.76 119.58 2tnf s ALA 96 Ca -0.09 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.84 2tnf s ALA 96 Cb -0.00 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 2tnf s ALA 96 CO 0.08 -0.58 -0.11 0.08 0.00 0.00 0.00 175.76 175.22 2tnf s VAL 97 N -3.53 0.84 0.00 0.00 1.01 -1.26 -1.71 120.40 115.74 2tnf s VAL 97 Ca 0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2tnf s VAL 97 Cb 0.02 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 2tnf s VAL 97 CO -0.10 -0.11 0.02 -0.54 0.00 0.00 0.00 175.10 174.37 2tnf s LYS 98 N -1.17 0.22 -0.34 2.72 1.02 0.14 -4.99 119.74 117.35 2tnf s LYS 98 Ca -0.02 -0.30 0.04 0.00 0.02 0.00 0.00 55.97 55.71 2tnf s LYS 98 Cb -0.08 0.08 0.10 0.00 -0.52 0.00 0.00 37.83 37.42 2tnf s LYS 98 CO 0.01 -0.04 0.05 -1.54 -0.92 0.00 0.00 175.35 172.91 2tnf s SER 99 N -0.81 4.72 0.02 2.83 1.04 -1.26 -0.35 113.70 119.89 2tnf s SER 99 Ca -0.09 -2.13 0.28 0.00 0.48 0.00 0.00 55.95 54.49 2tnf s SER 99 Cb -0.05 -1.58 1.01 0.00 0.10 0.00 0.00 66.02 65.49 2tnf s SER 99 CO -0.00 -0.38 1.78 -0.81 0.98 0.00 0.00 173.24 174.80 2tnf n PRO 100 N 4.29 0.03 -4.22 4.02 -0.04 -1.26 -4.97 135.00 132.85 2tnf n PRO 100 Ca 0.04 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 2tnf n PRO 100 Cb 0.42 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 2tnf n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2tnf s PRO 102 N -4.07 2.73 0.48 0.00 0.04 -1.26 -4.70 135.00 128.22 2tnf s PRO 102 Ca 0.33 -1.34 0.31 0.00 0.04 0.00 0.00 61.00 60.35 2tnf s PRO 102 Cb 0.07 -2.55 1.41 0.00 0.04 0.00 0.00 34.50 33.48 2tnf s PRO 102 CO 0.09 -0.10 1.74 0.87 0.04 0.00 0.00 177.00 179.64 2tnf h LYS 103 N 0.98 0.13 -2.41 4.56 1.79 -1.90 -3.34 116.57 116.38 2tnf h LYS 103 Ca -0.42 -0.01 0.17 0.00 -2.18 0.00 0.00 60.65 58.20 2tnf h LYS 103 Cb 1.26 -0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 31.81 2tnf h LYS 103 CO 0.54 0.09 0.46 0.16 -1.08 0.00 0.00 179.45 179.62 2tnf s ASP 104 N -4.97 -0.18 0.39 0.86 1.47 -1.26 -3.94 116.67 109.03 2tnf s ASP 104 Ca -0.07 -0.44 -0.27 0.00 1.18 0.00 0.00 52.55 52.96 2tnf s ASP 104 Cb 0.25 0.51 -0.11 0.00 -0.34 0.00 0.00 42.92 43.24 2tnf s ASP 104 CO 0.81 -0.95 1.36 0.35 0.68 0.00 0.00 175.17 177.42 2tnf n THR 105 N -0.48 2.24 -0.06 2.11 -2.24 -1.26 -4.94 114.28 109.66 2tnf n THR 105 Ca -0.06 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.18 2tnf n THR 105 Cb 0.60 -1.72 -0.03 0.00 -2.10 0.00 0.00 70.33 67.08 2tnf n THR 105 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2tnf h PRO 106 N 2.51 -0.12 -4.74 -0.78 0.11 -1.98 -3.42 132.00 123.58 2tnf h PRO 106 Ca -0.48 0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.16 2tnf h PRO 106 Cb 1.27 0.03 -0.31 0.00 0.11 0.00 0.00 31.00 32.10 2tnf h PRO 106 CO 0.62 -0.08 -0.80 -2.00 -0.21 0.00 0.00 178.00 175.53 2tnf s GLU 107 N -3.91 1.24 3.50 1.05 2.12 -1.26 -5.00 118.70 116.44 2tnf s GLU 107 Ca -0.05 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 54.90 2tnf s GLU 107 Cb 0.03 -1.11 0.00 0.00 0.26 0.00 0.00 34.13 33.31 2tnf s GLU 107 CO 0.21 0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.47 2tnf n GLY 108 N 3.34 0.60 3.33 -1.50 0.00 -1.26 -4.45 105.19 105.25 2tnf n GLY 108 Ca -0.19 0.53 0.02 0.00 0.00 0.00 0.00 46.02 46.39 2tnf n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tnf s ALA 109 N -1.00 -2.79 0.86 4.61 0.00 -1.26 -4.82 121.76 117.37 2tnf s ALA 109 Ca 0.00 1.91 -0.11 0.00 0.00 0.00 0.00 51.96 53.76 2tnf s ALA 109 Cb 0.00 -2.15 0.11 0.00 0.00 0.00 0.00 23.12 21.08 2tnf s ALA 109 CO 0.00 -1.10 1.09 -1.83 0.00 0.00 0.00 175.76 173.92 2tnf s GLU 110 N 2.62 1.51 0.00 0.00 -1.05 -1.26 -5.01 118.70 115.51 2tnf s GLU 110 Ca -0.00 0.91 0.00 0.00 -0.15 0.00 0.00 54.97 55.73 2tnf s GLU 110 Cb -0.08 -1.83 0.00 0.00 -0.44 0.00 0.00 34.13 31.78 2tnf s GLU 110 CO -0.16 -2.09 0.09 1.28 0.95 0.00 0.00 175.26 175.32 2tnf n LEU 111 N -3.79 0.02 -4.81 1.83 4.77 -1.26 -4.43 117.00 109.33 2tnf n LEU 111 Ca 0.08 -0.02 -0.38 0.00 -0.03 0.00 0.00 56.01 55.65 2tnf n LEU 111 Cb 0.55 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 2tnf n LEU 111 CO 0.55 0.01 0.18 -0.54 -1.33 0.00 0.00 177.39 176.25 2tnf s LYS 112 N -0.00 4.08 0.35 3.23 -0.14 -1.26 -4.70 119.74 121.30 2tnf s LYS 112 Ca 0.00 0.54 -0.27 0.00 -1.36 0.00 0.00 55.97 54.88 2tnf s LYS 112 Cb 0.00 -3.25 -0.09 0.00 -1.68 0.00 0.00 37.83 32.80 2tnf s LYS 112 CO 0.00 0.60 1.14 -1.25 -0.76 0.00 0.00 175.35 175.08 2tnf s PRO 113 N -0.87 4.30 0.18 -1.68 0.04 -1.26 -3.99 135.00 131.72 2tnf s PRO 113 Ca 0.26 1.81 0.05 0.00 0.04 0.00 0.00 61.00 63.17 2tnf s PRO 113 Cb -0.18 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 2tnf s PRO 113 CO 0.15 -0.10 0.16 1.67 0.04 0.00 0.00 177.00 178.93 2tnf s TRP 114 N -1.34 3.18 -0.01 0.56 1.48 0.26 -4.96 118.94 118.11 2tnf s TRP 114 Ca 0.52 -0.02 0.01 0.00 -1.06 0.00 0.00 56.10 55.55 2tnf s TRP 114 Cb -0.31 -1.51 0.01 0.00 -1.16 0.00 0.00 33.47 30.50 2tnf s TRP 114 CO 0.39 0.52 -0.02 0.71 -4.06 0.00 0.00 176.95 174.48 2tnf s TYR 115 N -1.82 0.34 -0.13 1.66 1.51 -1.26 -2.02 117.35 115.62 2tnf s TYR 115 Ca 0.32 -0.05 -0.04 0.00 -1.01 0.00 0.00 57.07 56.29 2tnf s TYR 115 Cb -0.10 -0.29 0.06 0.00 -0.11 0.00 0.00 41.96 41.53 2tnf s TYR 115 CO 0.24 -0.05 0.18 -1.21 -1.11 0.00 0.00 175.55 173.60 2tnf s GLU 116 N 0.31 0.09 0.22 -0.62 0.41 0.10 -4.98 118.70 114.23 2tnf s GLU 116 Ca -0.03 0.41 -0.01 0.00 -0.41 0.00 0.00 54.97 54.93 2tnf s GLU 116 Cb -0.06 -0.68 -0.04 0.00 -1.78 0.00 0.00 34.13 31.57 2tnf s GLU 116 CO -0.01 -0.44 0.42 -1.25 -0.49 0.00 0.00 175.26 173.49 2tnf s PRO 117 N 2.30 3.54 -0.02 0.39 0.04 -1.26 -0.64 135.00 139.34 2tnf s PRO 117 Ca 0.04 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 60.81 2tnf s PRO 117 Cb -0.13 -2.80 0.02 0.00 0.04 0.00 0.00 34.50 31.63 2tnf s PRO 117 CO -0.08 0.36 0.00 0.42 0.04 0.00 0.00 177.00 177.74 2tnf s ILE 118 N -1.92 0.13 -0.05 0.56 1.01 -0.39 -4.99 121.20 115.56 2tnf s ILE 118 Ca 0.39 0.10 0.06 0.00 0.00 0.00 0.00 60.65 61.20 2tnf s ILE 118 Cb -0.11 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.12 2tnf s ILE 118 CO 0.29 0.12 -0.22 -0.47 0.00 0.00 0.00 174.94 174.66 2tnf s TYR 119 N 0.92 2.48 0.01 3.97 6.14 -1.26 -1.27 117.35 128.34 2tnf s TYR 119 Ca -0.09 -0.50 0.03 0.00 0.64 0.00 0.00 57.07 57.16 2tnf s TYR 119 Cb -0.12 -1.59 -0.01 0.00 0.42 0.00 0.00 41.96 40.66 2tnf s TYR 119 CO -0.02 -0.07 -0.10 -0.51 0.64 0.00 0.00 175.55 175.50 2tnf s LEU 120 N -0.41 2.09 -0.29 6.97 1.43 0.05 -5.00 118.68 123.51 2tnf s LEU 120 Ca 0.04 -0.29 -0.23 0.00 -1.03 0.00 0.00 54.13 52.62 2tnf s LEU 120 Cb -0.12 -0.43 0.16 0.00 0.03 0.00 0.00 46.19 45.83 2tnf s LEU 120 CO 0.01 0.04 1.20 -0.83 0.23 0.00 0.00 176.35 177.00 2tnf s GLY 121 N -0.64 0.15 -0.02 -3.19 0.00 -1.26 -0.89 107.32 101.47 2tnf s GLY 121 Ca 0.01 3.19 -0.30 0.00 0.00 0.00 0.00 44.72 47.62 2tnf s GLY 121 CO 0.00 2.09 1.19 -0.32 0.00 0.00 0.00 173.10 176.06 2tnf s GLY 122 N 0.41 -0.36 -0.16 0.20 0.00 -0.19 -5.00 107.32 102.22 2tnf s GLY 122 Ca 0.02 0.78 -0.08 0.00 0.00 0.00 0.00 44.72 45.44 2tnf s GLY 122 CO -0.11 0.19 0.11 0.14 0.00 0.00 0.00 173.10 173.42 2tnf s VAL 123 N -2.63 5.22 0.01 1.40 1.01 -1.26 -0.78 120.40 123.37 2tnf s VAL 123 Ca 0.12 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2tnf s VAL 123 Cb 0.02 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2tnf s VAL 123 CO -0.03 0.52 -0.04 -0.36 0.00 0.00 0.00 175.10 175.19 2tnf s PHE 124 N -0.22 0.31 -0.21 5.22 0.08 -0.12 -4.96 117.98 118.09 2tnf s PHE 124 Ca 0.10 -0.29 -0.22 0.00 0.12 0.00 0.00 56.93 56.64 2tnf s PHE 124 Cb -0.12 -0.20 -0.02 0.00 -0.57 0.00 0.00 43.02 42.11 2tnf s PHE 124 CO 0.01 -0.08 0.68 -1.14 -0.10 0.00 0.00 175.22 174.60 2tnf s GLN 125 N -0.81 4.21 0.29 0.44 2.00 -1.26 -0.96 119.66 123.56 2tnf s GLN 125 Ca -0.07 0.71 0.06 0.00 -2.00 0.00 0.00 55.36 54.06 2tnf s GLN 125 Cb -0.06 -3.60 -0.06 0.00 0.80 0.00 0.00 33.01 30.10 2tnf s GLN 125 CO -0.00 -0.31 -0.03 -0.51 -0.50 0.00 0.00 175.29 173.93 2tnf s LEU 126 N 2.15 2.43 0.12 3.68 1.43 0.13 -4.97 118.68 123.65 2tnf s LEU 126 Ca 0.30 -1.23 0.06 0.00 -1.03 0.00 0.00 54.13 52.24 2tnf s LEU 126 Cb -0.16 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 2tnf s LEU 126 CO 0.10 -0.40 -0.04 -1.61 0.23 0.00 0.00 176.35 174.63 2tnf s GLU 127 N -3.76 2.34 0.09 1.70 2.02 -1.26 -1.59 118.70 118.24 2tnf s GLU 127 Ca 0.31 -1.00 -0.36 0.00 0.02 0.00 0.00 54.97 53.94 2tnf s GLU 127 Cb 0.05 -2.39 -0.17 0.00 0.10 0.00 0.00 34.13 31.71 2tnf s GLU 127 CO 0.12 0.50 1.17 1.17 0.02 0.00 0.00 175.26 178.25 2tnf n LYS 128 N 0.38 0.77 0.00 1.61 4.81 -1.25 -1.07 118.16 123.41 2tnf n LYS 128 Ca -0.11 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2tnf n LYS 128 Cb 0.53 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.78 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 2.08 1.89 3.76 3.14 0.00 -0.03 -4.92 105.19 111.12 2tnf n GLY 129 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.18 6.34 -0.18 1.61 1.01 -0.23 -4.73 116.67 117.31 2tnf s ASP 130 Ca 0.00 3.01 -0.05 0.00 0.71 0.00 0.00 52.55 56.22 2tnf s ASP 130 Cb 0.00 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 2tnf s ASP 130 CO 0.00 -0.92 -0.00 -1.10 0.21 0.00 0.00 175.17 173.36 2tnf s GLN 131 N -1.14 3.70 -0.16 8.23 -0.21 0.04 -2.32 119.66 127.81 2tnf s GLN 131 Ca 0.59 -0.49 -0.05 0.00 0.02 0.00 0.00 55.36 55.44 2tnf s GLN 131 Cb -0.48 -3.04 -0.03 0.00 1.00 0.00 0.00 33.01 30.46 2tnf s GLN 131 CO 0.54 0.15 0.00 -0.51 -2.12 0.00 0.00 175.29 173.35 2tnf s LEU 132 N 0.64 3.48 0.05 2.90 1.43 0.84 -0.74 118.68 127.28 2tnf s LEU 132 Ca -0.00 -0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.16 2tnf s LEU 132 Cb -0.14 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2tnf s LEU 132 CO 0.02 0.19 -0.26 -0.94 0.23 0.00 0.00 176.35 175.59 2tnf s SER 133 N 0.24 3.14 -0.23 2.29 1.04 -0.76 -0.71 113.70 118.71 2tnf s SER 133 Ca -0.00 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 55.85 2tnf s SER 133 Cb -0.13 -0.28 0.06 0.00 0.10 0.00 0.00 66.02 65.76 2tnf s SER 133 CO 0.02 0.25 -0.06 0.00 0.98 0.00 0.00 173.24 174.43 2tnf s ALA 134 N -0.81 2.00 0.06 5.32 0.00 -1.26 -0.85 121.76 126.23 2tnf s ALA 134 Ca 0.12 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 2tnf s ALA 134 Cb -0.10 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2tnf s ALA 134 CO 0.02 -1.17 -0.01 -1.21 0.00 0.00 0.00 175.76 173.39 2tnf s GLU 135 N 1.38 0.66 0.21 0.00 0.41 -0.57 -4.99 118.70 115.80 2tnf s GLU 135 Ca -0.06 -1.24 0.11 0.00 -0.41 0.00 0.00 54.97 53.37 2tnf s GLU 135 Cb -0.19 0.22 -0.04 0.00 -1.78 0.00 0.00 34.13 32.34 2tnf s GLU 135 CO -0.06 -0.14 -0.21 0.14 -0.49 0.00 0.00 175.26 174.50 2tnf s VAL 136 N -3.93 2.23 0.18 2.63 -7.23 -1.26 -0.95 120.40 112.07 2tnf s VAL 136 Ca 0.09 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 2tnf s VAL 136 Cb 0.08 -2.09 -0.12 0.00 0.56 0.00 0.00 36.38 34.81 2tnf s VAL 136 CO -0.09 -0.24 1.43 -0.55 -0.31 0.00 0.00 175.10 175.34 2tnf h ASN 137 N 2.99 0.35 -2.73 4.85 -1.07 -1.87 -3.39 115.58 114.72 2tnf h ASN 137 Ca -0.44 -0.25 -0.61 0.00 0.07 0.00 0.00 56.30 55.08 2tnf h ASN 137 Cb 1.22 -0.11 -0.41 0.00 -2.07 0.00 0.00 38.32 36.96 2tnf h ASN 137 CO 0.52 1.00 -0.72 0.18 0.07 0.00 0.00 177.43 178.48 2tnf n LEU 138 N -3.77 1.95 0.11 6.14 4.77 -1.26 -4.96 117.00 119.98 2tnf n LEU 138 Ca -0.04 -4.97 0.09 0.00 -0.03 0.00 0.00 56.01 51.06 2tnf n LEU 138 Cb 0.74 -0.30 0.43 0.00 -2.33 0.00 0.00 43.42 41.96 2tnf n LEU 138 CO 0.47 1.83 0.77 -0.81 -1.33 0.00 0.00 177.39 178.33 2tnf n PRO 139 N 2.07 0.12 0.30 3.23 -0.04 -1.26 -2.34 135.00 137.07 2tnf n PRO 139 Ca 0.24 0.52 0.18 0.00 -0.04 0.00 0.00 63.50 64.40 2tnf n PRO 139 Cb 0.40 -1.81 0.95 0.00 -0.04 0.00 0.00 33.50 33.00 2tnf n PRO 139 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2tnf h LYS 140 N 0.00 0.00 -0.02 0.54 2.10 -1.92 -1.95 116.57 115.32 2tnf h LYS 140 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2tnf h LYS 140 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2tnf h LYS 140 CO 0.00 0.03 0.00 0.66 -2.00 0.00 0.00 179.45 178.14 2tnf n TYR 141 N -3.33 0.00 -2.07 0.07 4.01 -0.99 -4.61 117.16 110.25 2tnf n TYR 141 Ca -0.02 -0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.33 2tnf n TYR 141 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 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 -2.00 4.22 -0.19 7.72 1.43 -0.73 0.20 118.68 129.33 2tnf s LEU 142 Ca 0.34 2.63 -0.00 0.00 -1.03 0.00 0.00 54.13 56.07 2tnf s LEU 142 Cb 0.21 -3.91 0.01 0.00 0.03 0.00 0.00 46.19 42.53 2tnf s LEU 142 CO 0.32 -0.83 -0.16 -0.62 0.23 0.00 0.00 176.35 175.29 2tnf s ASP 143 N -0.76 3.46 -0.13 2.29 -1.08 -0.16 -4.75 116.67 115.53 2tnf s ASP 143 Ca 0.57 -0.58 0.17 0.00 -0.52 0.00 0.00 52.55 52.19 2tnf s ASP 143 Cb -0.38 -1.55 0.33 0.00 -1.46 0.00 0.00 42.92 39.87 2tnf s ASP 143 CO 0.48 -0.00 1.21 0.49 0.52 0.00 0.00 175.17 177.87 2tnf n PHE 144 N 4.65 0.24 0.23 -5.34 3.72 -1.26 -4.67 117.46 115.03 2tnf n PHE 144 Ca -0.20 -0.93 0.18 0.00 -0.05 0.00 0.00 57.45 56.45 2tnf n PHE 144 Cb 0.50 -0.18 0.86 0.00 -0.94 0.00 0.00 39.48 39.72 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 0.48 1.65 -2.53 4.37 0.00 -1.94 -3.42 119.26 117.86 2tnf h ALA 145 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2tnf h ALA 145 Cb 1.07 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.70 2tnf h ALA 145 CO 0.05 -0.35 -0.69 -1.21 0.00 0.00 0.00 179.25 177.06 2tnf s GLU 146 N -4.43 0.53 0.62 0.00 0.41 -1.26 -5.15 118.70 109.42 2tnf s GLU 146 Ca -0.04 -1.01 -0.17 0.00 -0.41 0.00 0.00 54.97 53.34 2tnf s GLU 146 Cb 0.13 0.11 -0.02 0.00 -1.78 0.00 0.00 34.13 32.58 2tnf s GLU 146 CO 0.46 -0.07 1.16 -1.12 -0.49 0.00 0.00 175.26 175.19 2tnf s SER 147 N -2.38 5.14 0.00 -0.19 0.01 -1.26 -3.80 113.70 111.21 2tnf s SER 147 Ca -0.01 2.22 0.00 0.00 1.31 0.00 0.00 55.95 59.47 2tnf s SER 147 Cb 0.01 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2tnf s SER 147 CO -0.06 -1.62 0.00 0.61 0.41 0.00 0.00 173.24 172.58 2tnf n GLY 148 N 0.10 0.60 0.08 3.44 0.00 -1.26 -4.92 105.19 103.23 2tnf n GLY 148 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 2tnf n GLY 148 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2tnf h GLN 149 N 1.46 0.00 -3.96 1.61 4.20 -1.90 -3.45 115.11 113.06 2tnf h GLN 149 Ca 0.00 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 2tnf h GLN 149 Cb 0.04 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 27.45 2tnf h GLN 149 CO 0.00 0.51 -0.78 0.08 -0.67 0.00 0.00 178.83 177.96 2tnf s VAL 150 N -2.61 0.68 0.22 -0.54 1.01 -1.26 -3.66 120.40 114.25 2tnf s VAL 150 Ca -0.04 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 2tnf s VAL 150 Cb 0.08 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2tnf s VAL 150 CO 0.82 0.31 0.54 -0.72 0.00 0.00 0.00 175.10 176.05 2tnf s TYR 151 N 1.79 0.02 -0.18 5.22 -0.85 -0.49 -2.31 117.35 120.55 2tnf s TYR 151 Ca 0.04 -0.39 -0.09 0.00 -0.52 0.00 0.00 57.07 56.11 2tnf s TYR 151 Cb -0.13 0.38 0.07 0.00 0.38 0.00 0.00 41.96 42.66 2tnf s TYR 151 CO -0.06 -0.99 0.42 0.12 -1.52 0.00 0.00 175.55 173.52 2tnf s PHE 152 N -3.92 -0.67 0.05 -3.49 5.36 -0.34 -1.05 117.98 113.92 2tnf s PHE 152 Ca 0.13 1.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.49 2tnf s PHE 152 Cb -0.02 0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.92 2tnf s PHE 152 CO 0.02 -0.39 -0.04 0.20 -1.46 0.00 0.00 175.22 173.55 2tnf s GLY 153 N 1.76 0.47 -0.12 13.12 0.00 0.63 -0.06 107.32 123.12 2tnf s GLY 153 Ca -0.07 -1.03 -0.05 0.00 0.00 0.00 0.00 44.72 43.57 2tnf s GLY 153 CO -0.13 -1.12 0.26 0.14 0.00 0.00 0.00 173.10 172.25 2tnf s VAL 154 N -2.94 -0.19 -0.04 1.40 1.01 -0.18 -1.03 120.40 118.44 2tnf s VAL 154 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2tnf s VAL 154 Cb 0.01 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 36.00 2tnf s VAL 154 CO -0.06 0.08 -0.01 -0.51 0.00 0.00 0.00 175.10 174.61 2tnf s ILE 155 N 1.72 0.29 0.23 2.22 2.07 0.27 -0.72 121.20 127.28 2tnf s ILE 155 Ca -0.05 0.03 -0.30 0.00 -1.41 0.00 0.00 60.65 58.92 2tnf s ILE 155 Cb -0.11 -0.37 -0.10 0.00 0.13 0.00 0.00 42.46 42.01 2tnf s ILE 155 CO -0.09 0.18 1.41 0.00 -1.91 0.00 0.00 174.94 174.53 2tnf s ALA 156 N 1.07 3.61 -2.66 1.50 0.00 -0.31 -0.69 121.76 124.29 2tnf s ALA 156 Ca -0.09 1.28 0.27 0.00 0.00 0.00 0.00 51.96 53.42 2tnf s ALA 156 Cb -0.14 -3.54 0.78 0.00 0.00 0.00 0.00 23.12 20.22 2tnf s ALA 156 CO -0.01 -0.70 1.59 1.28 0.00 0.00 0.00 175.76 177.92