#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tnf s THR 7 N 0.00 2.10 0.69 8.89 2.01 -1.26 -5.06 115.64 123.02 1tnf s THR 7 Ca 0.00 -1.64 -0.11 0.00 0.31 0.00 0.00 61.69 60.24 1tnf s THR 7 Cb 0.00 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.26 1tnf s THR 7 CO 0.00 -0.08 1.07 -2.16 -0.69 0.00 0.00 174.62 172.75 1tnf s PRO 8 N 1.12 2.95 0.58 4.92 0.04 -1.26 -5.10 135.00 138.25 1tnf s PRO 8 Ca -0.07 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1tnf s PRO 8 Cb -0.20 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1tnf s PRO 8 CO -0.05 -1.03 0.00 0.43 0.04 0.00 0.00 177.00 176.38 1tnf n SER 9 N -3.06 -7.68 -3.07 6.66 7.64 -1.26 -4.61 113.62 108.25 1tnf n SER 9 Ca 0.07 1.58 -0.35 0.00 1.01 0.00 0.00 58.87 61.19 1tnf n SER 9 Cb 0.55 -4.89 -0.03 0.00 -1.01 0.00 0.00 64.21 58.83 1tnf n SER 9 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1tnf n ASP 10 N -3.44 7.37 -4.66 6.43 4.64 -1.26 -4.91 116.55 120.72 1tnf n ASP 10 Ca -0.05 -3.18 -0.33 0.00 -1.38 0.00 0.00 54.79 49.85 1tnf n ASP 10 Cb 0.55 -1.30 -0.09 0.00 -1.04 0.00 0.00 41.12 39.24 1tnf n ASP 10 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1tnf s LYS 11 N -1.46 2.80 0.17 -0.67 -0.14 -1.26 -5.06 119.74 114.11 1tnf s LYS 11 Ca 0.56 -0.57 -0.31 0.00 -1.36 0.00 0.00 55.97 54.29 1tnf s LYS 11 Cb 0.27 -2.67 -0.10 0.00 -1.68 0.00 0.00 37.83 33.65 1tnf s LYS 11 CO -0.15 0.65 1.55 -2.14 -0.76 0.00 0.00 175.35 174.50 1tnf s PRO 12 N -1.28 4.22 0.27 -1.68 0.02 -1.26 -4.05 135.00 131.24 1tnf s PRO 12 Ca 0.17 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.55 1tnf s PRO 12 Cb -0.11 -3.15 -0.05 0.00 0.02 0.00 0.00 34.50 31.20 1tnf s PRO 12 CO 0.07 -0.58 0.11 0.14 -0.33 0.00 0.00 177.00 176.40 1tnf s VAL 13 N 1.05 0.52 -0.22 3.83 -7.23 -1.26 -1.24 120.40 115.84 1tnf s VAL 13 Ca 0.69 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.59 1tnf s VAL 13 Cb -0.43 -2.61 0.10 0.00 0.56 0.00 0.00 36.38 34.00 1tnf s VAL 13 CO 0.32 0.00 0.90 0.00 -0.31 0.00 0.00 175.10 176.02 1tnf s ALA 14 N -3.71 -1.89 -0.32 1.32 0.00 -0.74 -2.67 121.76 113.74 1tnf s ALA 14 Ca 0.37 1.78 0.02 0.00 0.00 0.00 0.00 51.96 54.13 1tnf s ALA 14 Cb 0.07 -1.03 0.16 0.00 0.00 0.00 0.00 23.12 22.31 1tnf s ALA 14 CO 0.14 -0.29 0.40 -1.58 0.00 0.00 0.00 175.76 174.43 1tnf s HIS 15 N -0.20 -0.81 0.24 0.00 2.46 -0.04 -1.96 115.29 114.97 1tnf s HIS 15 Ca -0.01 -0.05 0.06 0.00 0.47 0.00 0.00 55.06 55.54 1tnf s HIS 15 Cb -0.03 -0.22 -0.03 0.00 -0.13 0.00 0.00 32.58 32.16 1tnf s HIS 15 CO -0.01 -0.99 0.26 0.14 -2.47 0.00 0.00 174.74 171.68 1tnf s VAL 16 N 2.18 4.82 0.16 0.89 -7.23 0.28 -1.37 120.40 120.12 1tnf s VAL 16 Ca 0.12 -1.19 0.05 0.00 -1.81 0.00 0.00 61.98 59.16 1tnf s VAL 16 Cb -0.13 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 1tnf s VAL 16 CO -0.22 -0.32 -0.12 0.68 -0.31 0.00 0.00 175.10 174.82 1tnf s VAL 17 N -2.03 1.33 -0.05 1.32 -7.23 0.77 -1.77 120.40 112.73 1tnf s VAL 17 Ca 0.33 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.13 1tnf s VAL 17 Cb -0.09 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1tnf s VAL 17 CO 0.27 -0.68 1.35 0.00 -0.31 0.00 0.00 175.10 175.73 1tnf s ALA 18 N -3.13 3.58 -0.14 1.32 0.00 -1.09 -0.04 121.76 122.26 1tnf s ALA 18 Ca 0.17 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 1tnf s ALA 18 Cb 0.01 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 1tnf s ALA 18 CO 0.02 -0.98 2.14 -1.71 0.00 0.00 0.00 175.76 175.24 1tnf n ASN 19 N 5.75 3.52 0.21 0.00 4.05 0.09 -4.85 115.26 124.04 1tnf n ASN 19 Ca 0.13 0.45 0.15 0.00 0.45 0.00 0.00 54.58 55.75 1tnf n ASN 19 Cb 0.44 -1.53 0.53 0.00 1.23 0.00 0.00 39.78 40.45 1tnf n ASN 19 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1tnf h PRO 20 N 13.46 0.00 -3.47 1.20 0.13 -1.92 -3.18 132.00 138.22 1tnf h PRO 20 Ca -0.44 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.97 1tnf h PRO 20 Cb 1.24 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.04 1tnf h PRO 20 CO 0.96 0.00 -0.04 -1.14 -0.23 0.00 0.00 178.00 177.54 1tnf s GLN 21 N -3.45 3.31 -0.31 0.86 0.74 -1.26 -4.86 119.66 114.70 1tnf s GLN 21 Ca 0.04 -3.02 -0.00 0.00 0.05 0.00 0.00 55.36 52.43 1tnf s GLN 21 Cb 0.09 -4.06 0.19 0.00 1.10 0.00 0.00 33.01 30.33 1tnf s GLN 21 CO 0.52 -1.24 0.77 0.00 -0.55 0.00 0.00 175.29 174.79 1tnf s ALA 22 N -0.89 -3.07 -0.24 1.58 0.00 -1.20 -5.13 121.76 112.81 1tnf s ALA 22 Ca 0.25 1.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 1tnf s ALA 22 Cb -0.11 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1tnf s ALA 22 CO -0.09 -2.01 1.70 -1.83 0.00 0.00 0.00 175.76 173.53 1tnf s GLU 23 N 2.70 3.65 -0.92 0.00 4.04 -1.26 -3.96 118.70 122.95 1tnf s GLU 23 Ca 0.17 1.63 -0.01 0.00 0.04 0.00 0.00 54.97 56.80 1tnf s GLU 23 Cb -0.06 -4.10 0.00 0.00 0.02 0.00 0.00 34.13 30.00 1tnf s GLU 23 CO -0.22 -1.47 0.77 0.41 -1.84 0.00 0.00 175.26 172.91 1tnf n GLY 24 N 4.92 -0.17 3.61 -3.83 0.00 -1.26 -5.03 105.19 103.43 1tnf n GLY 24 Ca 0.20 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1tnf n GLY 24 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1tnf s GLN 25 N -5.13 0.59 -0.24 1.61 0.74 -1.25 -4.89 119.66 111.08 1tnf s GLN 25 Ca 0.05 0.49 -0.16 0.00 0.05 0.00 0.00 55.36 55.79 1tnf s GLN 25 Cb -0.02 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.34 1tnf s GLN 25 CO 0.55 -0.11 0.41 -1.17 -0.55 0.00 0.00 175.29 174.42 1tnf s LEU 26 N -0.19 4.09 -0.07 3.68 2.96 -1.26 -4.94 118.68 122.95 1tnf s LEU 26 Ca 0.01 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 1tnf s LEU 26 Cb -0.04 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 44.17 1tnf s LEU 26 CO -0.03 -0.16 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.21 1tnf s GLN 27 N 1.81 1.07 0.78 1.98 0.74 -1.26 -5.04 119.66 119.73 1tnf s GLN 27 Ca 0.18 -0.13 -0.10 0.00 0.05 0.00 0.00 55.36 55.36 1tnf s GLN 27 Cb -0.15 -1.14 0.09 0.00 1.10 0.00 0.00 33.01 32.90 1tnf s GLN 27 CO 0.09 -0.17 1.12 -1.58 -0.55 0.00 0.00 175.29 174.19 1tnf s TRP 28 N 1.35 2.76 -0.05 1.67 0.23 -1.26 -0.73 118.94 122.91 1tnf s TRP 28 Ca -0.03 0.54 -0.29 0.00 -2.03 0.00 0.00 56.10 54.28 1tnf s TRP 28 Cb -0.14 -3.41 0.06 0.00 0.03 0.00 0.00 33.47 30.02 1tnf s TRP 28 CO -0.03 -1.70 0.64 -1.17 0.96 0.00 0.00 176.95 175.65 1tnf s LEU 29 N -5.45 -0.50 0.00 2.99 2.96 0.94 -4.58 118.68 115.05 1tnf s LEU 29 Ca 0.62 0.66 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 1tnf s LEU 29 Cb -0.10 2.40 0.00 0.00 0.50 0.00 0.00 46.19 48.99 1tnf s LEU 29 CO 0.47 -0.59 0.00 -0.46 -1.32 0.00 0.00 176.35 174.46 1tnf n ASN 30 N 0.97 0.00 0.00 3.68 0.23 -1.26 -0.17 115.26 118.71 1tnf n ASN 30 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.86 1tnf n ASN 30 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1tnf n ASN 30 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1tnf n ARG 31 N 0.00 0.00 0.00 -3.83 1.85 -1.15 -4.85 116.66 108.68 1tnf n ARG 31 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1tnf n ARG 31 Cb 0.00 -1.53 0.00 0.00 -1.05 0.00 0.00 32.46 29.88 1tnf n ARG 31 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1tnf n ARG 32 N 0.00 0.09 -0.08 2.89 0.63 -1.26 -4.83 116.66 114.09 1tnf n ARG 32 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 1tnf n ARG 32 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 1tnf n ARG 32 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1tnf n ALA 33 N -3.00 -0.12 -3.25 5.13 0.00 -1.26 -2.75 120.51 115.26 1tnf n ALA 33 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 53.44 53.36 1tnf n ALA 33 Cb 0.00 0.36 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 1tnf n ALA 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tnf n ASN 34 N -3.42 1.95 -3.92 0.00 3.02 -1.26 -4.94 115.26 106.69 1tnf n ASN 34 Ca 0.00 -3.09 -0.31 0.00 -0.03 0.00 0.00 54.58 51.15 1tnf n ASN 34 Cb 0.05 -0.64 -0.09 0.00 -0.61 0.00 0.00 39.78 38.49 1tnf n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tnf n ALA 35 N 0.92 3.68 -1.96 5.41 0.00 -1.11 -4.59 120.51 122.86 1tnf n ALA 35 Ca 0.26 -4.60 -0.39 0.00 0.00 0.00 0.00 53.44 48.71 1tnf n ALA 35 Cb 0.49 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1tnf n ALA 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1tnf s LEU 36 N -1.61 4.56 -0.14 0.00 1.02 -0.47 -2.91 118.68 119.13 1tnf s LEU 36 Ca 0.28 1.67 -0.04 0.00 0.02 0.00 0.00 54.13 56.06 1tnf s LEU 36 Cb -0.03 -3.40 0.06 0.00 0.02 0.00 0.00 46.19 42.85 1tnf s LEU 36 CO -0.13 0.17 0.17 -0.22 0.02 0.00 0.00 176.35 176.36 1tnf s LEU 37 N -1.29 -0.02 0.00 1.79 2.96 -1.26 -0.86 118.68 119.99 1tnf s LEU 37 Ca 0.38 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 1tnf s LEU 37 Cb -0.22 0.23 0.00 0.00 0.50 0.00 0.00 46.19 46.70 1tnf s LEU 37 CO 0.26 -0.29 0.00 0.00 -1.32 0.00 0.00 176.35 175.00 1tnf n ALA 38 N 5.32 0.00 -1.56 5.97 0.00 -1.09 -5.00 120.51 124.14 1tnf n ALA 38 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 1tnf n ALA 38 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.86 1tnf n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tnf n ASN 39 N 0.00 2.19 0.00 0.00 4.13 -1.26 -3.19 115.26 117.13 1tnf n ASN 39 Ca 0.00 -2.61 0.00 0.00 1.68 0.00 0.00 54.58 53.65 1tnf n ASN 39 Cb 0.00 -1.47 0.00 0.00 -1.54 0.00 0.00 39.78 36.77 1tnf n ASN 39 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tnf n GLY 40 N 5.58 0.53 3.71 7.41 0.00 -1.26 -4.27 105.19 116.89 1tnf n GLY 40 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 1tnf n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tnf s VAL 41 N -2.25 4.89 -0.10 1.61 1.01 -1.19 -4.09 120.40 120.27 1tnf s VAL 41 Ca 0.00 1.91 0.03 0.00 0.00 0.00 0.00 61.98 63.92 1tnf s VAL 41 Cb 0.00 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1tnf s VAL 41 CO 0.00 0.15 -0.19 -0.70 0.00 0.00 0.00 175.10 174.35 1tnf s GLU 42 N 1.19 2.58 -0.03 2.72 2.56 -1.21 -4.50 118.70 122.02 1tnf s GLU 42 Ca 0.48 -0.71 -0.18 0.00 0.00 0.00 0.00 54.97 54.57 1tnf s GLU 42 Cb -0.20 -2.06 -0.05 0.00 2.00 0.00 0.00 34.13 33.82 1tnf s GLU 42 CO 0.24 0.04 0.49 -1.17 -0.56 0.00 0.00 175.26 174.30 1tnf s LEU 43 N 0.68 4.41 0.00 2.70 1.98 -1.26 -0.49 118.68 126.70 1tnf s LEU 43 Ca -0.12 0.99 0.00 0.00 -2.89 0.00 0.00 54.13 52.11 1tnf s LEU 43 Cb -0.16 -2.72 0.00 0.00 0.66 0.00 0.00 46.19 43.96 1tnf s LEU 43 CO 0.03 0.17 0.00 -1.14 -1.89 0.00 0.00 176.35 173.52 1tnf n ARG 44 N 2.58 0.00 -2.12 1.98 3.00 0.36 -4.92 116.66 117.54 1tnf n ARG 44 Ca -0.10 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.34 1tnf n ARG 44 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.97 1tnf n ARG 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1tnf n ASP 45 N 0.00 6.57 -0.58 6.15 9.92 -1.26 -4.29 116.55 133.06 1tnf n ASP 45 Ca 0.00 -3.10 -0.08 0.00 -0.53 0.00 0.00 54.79 51.09 1tnf n ASP 45 Cb 0.00 -1.43 -0.03 0.00 -0.64 0.00 0.00 41.12 39.02 1tnf n ASP 45 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1tnf n ASN 46 N 2.92 -4.21 -4.15 -2.24 2.85 -1.26 -5.03 115.26 104.13 1tnf n ASN 46 Ca 0.52 0.19 -0.10 0.00 -0.11 0.00 0.00 54.58 55.08 1tnf n ASN 46 Cb 0.30 -2.38 -0.10 0.00 1.24 0.00 0.00 39.78 38.84 1tnf n ASN 46 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1tnf s GLN 47 N -2.41 0.79 -0.29 1.20 -0.21 -1.26 -4.65 119.66 112.83 1tnf s GLN 47 Ca 0.00 -1.29 -0.10 0.00 0.02 0.00 0.00 55.36 53.99 1tnf s GLN 47 Cb 0.00 -0.15 -0.03 0.00 1.00 0.00 0.00 33.01 33.83 1tnf s GLN 47 CO 0.00 -0.03 0.15 -0.51 -2.12 0.00 0.00 175.29 172.79 1tnf s LEU 48 N -2.96 3.94 -0.18 2.90 1.02 -0.87 -0.48 118.68 122.05 1tnf s LEU 48 Ca 0.10 -0.23 -0.20 0.00 0.02 0.00 0.00 54.13 53.82 1tnf s LEU 48 Cb 0.05 -2.04 -0.03 0.00 0.02 0.00 0.00 46.19 44.19 1tnf s LEU 48 CO -0.05 -0.10 0.58 -0.69 0.02 0.00 0.00 176.35 176.11 1tnf s VAL 49 N 1.68 5.07 0.03 -1.59 1.01 0.36 -1.56 120.40 125.40 1tnf s VAL 49 Ca 0.06 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.85 1tnf s VAL 49 Cb -0.16 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1tnf s VAL 49 CO 0.08 0.17 1.34 -0.69 0.00 0.00 0.00 175.10 175.99 1tnf s VAL 50 N 1.57 3.76 0.06 2.92 1.01 -1.13 -3.29 120.40 125.30 1tnf s VAL 50 Ca 0.28 1.19 -0.15 0.00 0.00 0.00 0.00 61.98 63.30 1tnf s VAL 50 Cb -0.16 -3.76 -0.25 0.00 0.00 0.00 0.00 36.38 32.21 1tnf s VAL 50 CO 0.11 0.04 1.16 1.55 0.00 0.00 0.00 175.10 177.95 1tnf h PRO 51 N 7.38 0.67 -5.19 2.72 0.13 -1.84 0.13 132.00 135.99 1tnf h PRO 51 Ca -0.39 -0.77 -0.37 0.00 -0.87 0.00 0.00 66.00 63.60 1tnf h PRO 51 Cb 1.19 0.23 -0.19 0.00 0.13 0.00 0.00 31.00 32.36 1tnf h PRO 51 CO 0.87 1.33 -0.75 -1.12 -0.23 0.00 0.00 178.00 178.11 1tnf s SER 52 N -7.30 1.66 -0.05 1.44 0.01 -1.26 -4.45 113.70 103.74 1tnf s SER 52 Ca -0.10 -0.75 -0.28 0.00 1.31 0.00 0.00 55.95 56.13 1tnf s SER 52 Cb 0.06 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 1tnf s SER 52 CO 0.92 -0.17 0.92 -0.70 0.41 0.00 0.00 173.24 174.62 1tnf s GLU 53 N -2.41 4.48 0.00 12.44 2.12 -1.26 -4.14 118.70 129.93 1tnf s GLU 53 Ca 0.04 1.28 0.00 0.00 0.36 0.00 0.00 54.97 56.65 1tnf s GLU 53 Cb -0.06 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.84 1tnf s GLU 53 CO 0.02 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 1tnf n GLY 54 N 3.04 -0.90 3.79 -1.50 0.00 -1.19 -5.02 105.19 103.41 1tnf n GLY 54 Ca 0.05 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 1tnf n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tnf s LEU 55 N 0.00 4.41 0.14 0.99 1.02 -1.26 -0.90 118.68 123.08 1tnf s LEU 55 Ca 0.00 1.64 0.06 0.00 0.02 0.00 0.00 54.13 55.85 1tnf s LEU 55 Cb 0.00 -3.68 -0.04 0.00 0.02 0.00 0.00 46.19 42.49 1tnf s LEU 55 CO 0.00 0.04 -0.14 -0.31 0.02 0.00 0.00 176.35 175.96 1tnf s TYR 56 N -1.46 1.45 -0.23 0.29 1.51 -0.13 -1.39 117.35 117.39 1tnf s TYR 56 Ca 0.44 -0.59 -0.06 0.00 -1.01 0.00 0.00 57.07 55.85 1tnf s TYR 56 Cb -0.19 -0.74 -0.03 0.00 -0.11 0.00 0.00 41.96 40.90 1tnf s TYR 56 CO 0.24 0.18 0.03 -1.17 -1.11 0.00 0.00 175.55 173.72 1tnf s LEU 57 N -2.72 3.34 -0.21 -1.29 0.20 -0.36 -2.47 118.68 115.19 1tnf s LEU 57 Ca 0.13 -0.21 -0.01 0.00 0.69 0.00 0.00 54.13 54.73 1tnf s LEU 57 Cb -0.03 -1.87 0.01 0.00 -0.43 0.00 0.00 46.19 43.87 1tnf s LEU 57 CO 0.03 0.01 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.36 1tnf s ILE 58 N 1.32 2.69 0.25 6.68 1.01 -1.06 -2.35 121.20 129.74 1tnf s ILE 58 Ca 0.04 -0.79 0.06 0.00 0.00 0.00 0.00 60.65 59.96 1tnf s ILE 58 Cb -0.15 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 1tnf s ILE 58 CO 0.02 0.43 -0.07 -0.72 0.00 0.00 0.00 174.94 174.60 1tnf s TYR 59 N 1.36 1.81 -0.27 3.97 -0.85 -0.97 -0.83 117.35 121.58 1tnf s TYR 59 Ca 0.04 -0.71 -0.26 0.00 -0.52 0.00 0.00 57.07 55.63 1tnf s TYR 59 Cb -0.14 -0.99 0.12 0.00 0.38 0.00 0.00 41.96 41.32 1tnf s TYR 59 CO -0.08 0.24 1.01 0.45 -1.52 0.00 0.00 175.55 175.65 1tnf s SER 60 N -3.38 -0.46 0.07 -0.18 0.15 0.11 -2.84 113.70 107.16 1tnf s SER 60 Ca 0.27 0.86 0.07 0.00 0.70 0.00 0.00 55.95 57.85 1tnf s SER 60 Cb 0.03 0.86 -0.03 0.00 -1.71 0.00 0.00 66.02 65.17 1tnf s SER 60 CO 0.10 -0.18 -0.18 -1.58 1.20 0.00 0.00 173.24 172.60 1tnf s GLN 61 N 0.09 1.07 0.14 5.44 0.74 -1.04 -0.79 119.66 125.31 1tnf s GLN 61 Ca 0.02 -0.97 0.01 0.00 0.05 0.00 0.00 55.36 54.46 1tnf s GLN 61 Cb -0.05 -1.18 -0.04 0.00 1.10 0.00 0.00 33.01 32.84 1tnf s GLN 61 CO -0.05 0.28 0.01 0.14 -0.55 0.00 0.00 175.29 175.13 1tnf s VAL 62 N -1.04 0.43 0.10 1.34 -7.23 0.13 -1.77 120.40 112.37 1tnf s VAL 62 Ca 0.04 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1tnf s VAL 62 Cb -0.09 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 1tnf s VAL 62 CO 0.03 -0.55 -0.15 -0.76 -0.31 0.00 0.00 175.10 173.36 1tnf s LEU 63 N -3.10 2.35 0.01 1.32 1.43 -1.26 -1.33 118.68 118.09 1tnf s LEU 63 Ca 0.22 -0.73 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1tnf s LEU 63 Cb 0.07 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.69 1tnf s LEU 63 CO 0.01 -0.09 -0.07 -0.36 0.23 0.00 0.00 176.35 176.07 1tnf s PHE 64 N -1.71 0.63 0.17 0.29 0.40 0.39 -3.74 117.98 114.41 1tnf s PHE 64 Ca 0.05 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1tnf s PHE 64 Cb -0.07 -0.40 -0.05 0.00 0.51 0.00 0.00 43.02 43.01 1tnf s PHE 64 CO 0.03 -0.02 -0.03 -1.59 0.70 0.00 0.00 175.22 174.31 1tnf s LYS 65 N -0.48 1.10 0.07 0.44 0.00 -0.12 0.49 119.74 121.25 1tnf s LYS 65 Ca 0.00 -1.51 -0.27 0.00 0.00 0.00 0.00 55.97 54.19 1tnf s LYS 65 Cb -0.04 -0.39 0.09 0.00 0.00 0.00 0.00 37.83 37.49 1tnf s LYS 65 CO -0.00 -0.07 1.14 0.20 0.00 0.00 0.00 175.35 176.62 1tnf s GLY 66 N -3.18 -0.25 -0.21 0.59 0.00 -0.62 -4.59 107.32 99.06 1tnf s GLY 66 Ca 0.22 0.29 -0.04 0.00 0.00 0.00 0.00 44.72 45.19 1tnf s GLY 66 CO 0.03 0.88 0.08 1.62 0.00 0.00 0.00 173.10 175.71 1tnf s GLN 67 N -2.65 0.32 0.14 2.90 0.74 -1.26 0.10 119.66 119.95 1tnf s GLN 67 Ca 0.16 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.21 1tnf s GLN 67 Cb 0.01 -1.80 0.00 0.00 1.10 0.00 0.00 33.01 32.32 1tnf s GLN 67 CO -0.00 -0.76 0.00 0.41 -0.55 0.00 0.00 175.29 174.39 1tnf n GLY 68 N 5.17 -3.04 3.31 2.59 0.00 0.24 -4.69 105.19 108.78 1tnf n GLY 68 Ca -0.07 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 1tnf n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tnf n PRO 70 N 4.78 0.00 -2.58 0.00 -0.04 -1.26 -2.65 135.00 133.24 1tnf n PRO 70 Ca -0.18 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 1tnf n PRO 70 Cb 0.51 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.95 1tnf n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1tnf s SER 71 N -1.00 6.66 0.00 3.54 0.15 -1.26 -4.63 113.70 117.17 1tnf s SER 71 Ca 0.00 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1tnf s SER 71 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1tnf s SER 71 CO 0.00 -1.20 0.00 1.07 1.20 0.00 0.00 173.24 174.31 1tnf n THR 72 N 6.68 0.00 -3.49 6.45 5.66 -1.26 -4.45 114.28 123.87 1tnf n THR 72 Ca 0.12 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.86 1tnf n THR 72 Cb 0.49 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.13 1tnf n THR 72 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1tnf s HIS 73 N 0.00 0.28 -0.07 1.09 3.76 -1.26 -4.69 115.29 114.40 1tnf s HIS 73 Ca 0.00 -0.96 -0.14 0.00 -0.15 0.00 0.00 55.06 53.81 1tnf s HIS 73 Cb 0.00 -0.82 -0.09 0.00 1.11 0.00 0.00 32.58 32.78 1tnf s HIS 73 CO 0.00 -0.85 0.53 0.28 -0.85 0.00 0.00 174.74 173.85 1tnf h VAL 74 N 5.99 0.38 -5.04 -0.90 2.07 -1.89 -3.51 116.25 113.35 1tnf h VAL 74 Ca -0.12 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.41 1tnf h VAL 74 Cb 1.01 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 1tnf h VAL 74 CO 0.37 0.11 -1.11 0.18 0.02 0.00 0.00 177.57 177.15 1tnf n LEU 75 N -4.93 -5.62 -4.83 2.57 7.99 -1.26 -5.02 117.00 105.90 1tnf n LEU 75 Ca -0.05 2.18 -0.37 0.00 -0.01 0.00 0.00 56.01 57.75 1tnf n LEU 75 Cb 0.19 -2.90 -0.06 0.00 -0.11 0.00 0.00 43.42 40.53 1tnf n LEU 75 CO 0.16 -3.44 -0.03 -0.76 -1.51 0.00 0.00 177.39 171.80 1tnf s LEU 76 N -0.50 4.39 0.04 2.23 2.01 -0.82 -4.80 118.68 121.22 1tnf s LEU 76 Ca -0.16 0.66 0.05 0.00 0.01 0.00 0.00 54.13 54.70 1tnf s LEU 76 Cb 0.01 -2.33 -0.02 0.00 0.01 0.00 0.00 46.19 43.86 1tnf s LEU 76 CO 0.42 0.30 -0.16 0.42 1.01 0.00 0.00 176.35 178.35 1tnf s THR 77 N -0.69 1.24 -0.25 5.49 -4.23 -1.26 -0.89 115.64 115.05 1tnf s THR 77 Ca 0.18 -1.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.67 1tnf s THR 77 Cb -0.14 -1.10 0.08 0.00 1.34 0.00 0.00 72.50 72.68 1tnf s THR 77 CO 0.07 0.07 0.04 -2.28 -0.54 0.00 0.00 174.62 171.99 1tnf s HIS 78 N -0.80 1.66 -0.11 3.99 2.46 -0.05 -3.19 115.29 119.25 1tnf s HIS 78 Ca 0.03 -1.46 0.03 0.00 0.47 0.00 0.00 55.06 54.13 1tnf s HIS 78 Cb -0.08 -1.47 0.00 0.00 -0.13 0.00 0.00 32.58 30.90 1tnf s HIS 78 CO 0.01 -0.76 -0.23 0.99 -2.47 0.00 0.00 174.74 172.28 1tnf s THR 79 N 1.64 2.02 -0.20 0.89 2.01 -0.72 -2.34 115.64 118.94 1tnf s THR 79 Ca 0.03 -0.98 -0.10 0.00 0.31 0.00 0.00 61.69 60.95 1tnf s THR 79 Cb -0.18 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1tnf s THR 79 CO -0.15 0.55 0.13 -0.63 -0.69 0.00 0.00 174.62 173.83 1tnf s ILE 80 N 0.50 5.40 0.25 1.82 1.01 -0.07 -2.45 121.20 127.66 1tnf s ILE 80 Ca -0.15 0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.75 1tnf s ILE 80 Cb -0.17 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 1tnf s ILE 80 CO 0.05 0.45 -0.08 -0.44 0.00 0.00 0.00 174.94 174.92 1tnf s SER 81 N 0.28 2.60 -0.17 3.58 0.01 -1.00 0.18 113.70 119.18 1tnf s SER 81 Ca 0.08 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.22 1tnf s SER 81 Cb -0.11 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.01 1tnf s SER 81 CO -0.02 -0.30 -0.11 -0.60 0.41 0.00 0.00 173.24 172.63 1tnf s ARG 82 N -3.71 1.99 -0.71 12.44 3.52 -0.08 -1.09 118.95 131.30 1tnf s ARG 82 Ca 0.27 -0.64 -0.12 0.00 -0.13 0.00 0.00 55.73 55.11 1tnf s ARG 82 Cb 0.02 -2.17 0.19 0.00 -1.56 0.00 0.00 34.95 31.43 1tnf s ARG 82 CO 0.10 -0.35 0.63 -1.50 -0.81 0.00 0.00 175.30 173.37 1tnf s ILE 83 N 1.49 5.10 0.49 4.11 2.07 -0.95 -0.33 121.20 133.17 1tnf s ILE 83 Ca 0.02 -2.34 -0.20 0.00 -1.41 0.00 0.00 60.65 56.72 1tnf s ILE 83 Cb -0.15 -4.21 -0.08 0.00 0.13 0.00 0.00 42.46 38.16 1tnf s ILE 83 CO -0.09 -0.95 1.05 0.00 -1.91 0.00 0.00 174.94 173.04 1tnf s ALA 84 N 0.46 2.87 -1.71 1.50 0.00 -1.22 -1.63 121.76 122.04 1tnf s ALA 84 Ca 0.14 0.64 0.15 0.00 0.00 0.00 0.00 51.96 52.90 1tnf s ALA 84 Cb -0.17 -3.27 0.85 0.00 0.00 0.00 0.00 23.12 20.53 1tnf s ALA 84 CO -0.05 -0.36 1.38 1.55 0.00 0.00 0.00 175.76 178.28 1tnf n VAL 85 N -0.93 0.29 0.06 0.00 3.14 -1.26 -2.42 118.33 117.20 1tnf n VAL 85 Ca 0.09 0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 1tnf n VAL 85 Cb 0.52 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 32.47 1tnf n VAL 85 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1tnf n SER 86 N -1.14 0.86 -4.47 6.55 3.41 -1.26 -4.75 113.62 112.82 1tnf n SER 86 Ca 0.09 0.18 -0.43 0.00 -0.26 0.00 0.00 58.87 58.46 1tnf n SER 86 Cb 0.09 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1tnf n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tnf n TYR 87 N -3.43 4.60 -2.35 7.33 -0.00 -1.25 -4.87 117.16 117.20 1tnf n TYR 87 Ca 0.00 -2.97 -0.35 0.00 -0.00 0.00 0.00 57.90 54.58 1tnf n TYR 87 Cb 0.00 -2.51 -0.04 0.00 -0.00 0.00 0.00 39.34 36.80 1tnf n TYR 87 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.86 175.72 1tnf s GLN 88 N 3.41 3.17 -0.16 -3.48 0.74 -1.02 -3.48 119.66 118.84 1tnf s GLN 88 Ca 0.50 -0.85 -0.34 0.00 0.05 0.00 0.00 55.36 54.72 1tnf s GLN 88 Cb 0.03 -5.25 0.13 0.00 1.10 0.00 0.00 33.01 29.03 1tnf s GLN 88 CO 0.05 -2.73 1.18 -0.08 -0.55 0.00 0.00 175.29 173.16 1tnf s THR 89 N 7.12 0.00 -1.11 -0.34 -1.32 -1.26 -4.96 115.64 113.78 1tnf s THR 89 Ca 0.56 -0.01 -0.22 0.00 -1.21 0.00 0.00 61.69 60.82 1tnf s THR 89 Cb -0.02 -1.05 0.04 0.00 -1.51 0.00 0.00 72.50 69.96 1tnf s THR 89 CO -0.05 0.00 1.61 -0.75 -2.21 0.00 0.00 174.62 173.22 1tnf s LYS 90 N -2.48 3.58 0.89 7.08 2.20 -1.26 -3.38 119.74 126.36 1tnf s LYS 90 Ca 0.09 -1.33 -0.12 0.00 -0.36 0.00 0.00 55.97 54.25 1tnf s LYS 90 Cb -0.01 -5.39 0.17 0.00 -1.51 0.00 0.00 37.83 31.09 1tnf s LYS 90 CO -0.05 -2.41 1.23 0.08 -0.36 0.00 0.00 175.35 173.85 1tnf s VAL 91 N 5.46 2.04 -0.17 4.02 1.01 0.55 -4.76 120.40 128.55 1tnf s VAL 91 Ca 0.52 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1tnf s VAL 91 Cb 0.01 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.49 1tnf s VAL 91 CO -0.02 0.00 -0.19 0.21 0.00 0.00 0.00 175.10 175.10 1tnf s ASN 92 N -4.81 3.02 -0.20 3.32 2.47 -1.26 -0.90 114.94 116.57 1tnf s ASN 92 Ca 0.71 -0.61 -0.07 0.00 0.42 0.00 0.00 52.86 53.31 1tnf s ASN 92 Cb -0.05 -1.41 -0.20 0.00 -1.45 0.00 0.00 41.25 38.14 1tnf s ASN 92 CO 0.51 -0.00 0.03 0.18 -3.72 0.00 0.00 177.10 174.09 1tnf n LEU 93 N 4.59 2.56 -3.82 3.21 4.77 0.13 -4.94 117.00 123.50 1tnf n LEU 93 Ca -0.20 0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 55.79 1tnf n LEU 93 Cb 0.50 -0.98 -0.09 0.00 -2.33 0.00 0.00 43.42 40.52 1tnf n LEU 93 CO 0.25 0.77 -0.08 -0.76 -1.33 0.00 0.00 177.39 176.24 1tnf s LEU 94 N -7.04 1.23 -0.13 2.23 1.43 -0.99 -4.98 118.68 110.44 1tnf s LEU 94 Ca -0.30 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 1tnf s LEU 94 Cb 0.09 0.97 0.10 0.00 0.03 0.00 0.00 46.19 47.38 1tnf s LEU 94 CO 0.65 -0.44 0.87 -0.55 0.23 0.00 0.00 176.35 177.10 1tnf s SER 95 N -1.50 -0.51 -0.10 2.29 0.15 -1.25 -0.89 113.70 111.89 1tnf s SER 95 Ca -0.13 0.61 -0.14 0.00 0.70 0.00 0.00 55.95 57.00 1tnf s SER 95 Cb -0.05 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.78 1tnf s SER 95 CO 0.02 -0.42 0.36 0.00 1.20 0.00 0.00 173.24 174.39 1tnf s ALA 96 N -0.96 -0.90 0.13 5.45 0.00 -0.99 -4.96 121.76 119.53 1tnf s ALA 96 Ca -0.05 0.85 0.09 0.00 0.00 0.00 0.00 51.96 52.85 1tnf s ALA 96 Cb -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1tnf s ALA 96 CO 0.04 -0.21 -0.18 0.42 0.00 0.00 0.00 175.76 175.84 1tnf s ILE 97 N -0.29 2.81 -0.02 0.00 1.01 -1.26 -0.87 121.20 122.58 1tnf s ILE 97 Ca -0.04 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.01 1tnf s ILE 97 Cb -0.03 -2.31 0.03 0.00 0.01 0.00 0.00 42.46 40.16 1tnf s ILE 97 CO 0.02 0.05 0.03 -0.75 0.00 0.00 0.00 174.94 174.28 1tnf s LYS 98 N -2.29 0.00 -0.24 2.79 2.47 -0.07 -4.98 119.74 117.43 1tnf s LYS 98 Ca 0.19 0.18 -0.14 0.00 -1.56 0.00 0.00 55.97 54.64 1tnf s LYS 98 Cb -0.10 -0.28 -0.04 0.00 -1.46 0.00 0.00 37.83 35.94 1tnf s LYS 98 CO 0.11 -0.17 0.30 -1.54 0.16 0.00 0.00 175.35 174.21 1tnf s SER 99 N 1.09 6.26 0.00 1.43 1.04 -1.26 -1.95 113.70 120.30 1tnf s SER 99 Ca -0.09 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1tnf s SER 99 Cb -0.13 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1tnf s SER 99 CO -0.03 -0.06 0.00 -0.81 0.98 0.00 0.00 173.24 173.32 1tnf n PRO 100 N 4.67 0.00 -2.72 4.02 -0.04 -1.26 -4.87 135.00 134.80 1tnf n PRO 100 Ca -0.11 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.95 1tnf n PRO 100 Cb 0.51 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 1tnf n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tnf s GLN 102 N -1.02 3.18 0.44 0.00 2.00 -1.26 -4.86 119.66 118.14 1tnf s GLN 102 Ca 0.42 -2.29 0.00 0.00 -2.00 0.00 0.00 55.36 51.49 1tnf s GLN 102 Cb -0.26 -4.21 0.00 0.00 0.80 0.00 0.00 33.01 29.33 1tnf s GLN 102 CO 0.33 -1.26 0.00 0.54 -0.50 0.00 0.00 175.29 174.39 1tnf n ARG 103 N 4.16 -3.02 0.00 1.67 1.74 -1.26 -5.05 116.66 114.90 1tnf n ARG 103 Ca 0.06 2.19 0.00 0.00 -0.77 0.00 0.00 57.85 59.33 1tnf n ARG 103 Cb 0.43 -3.63 0.00 0.00 -1.02 0.00 0.00 32.46 28.24 1tnf n ARG 103 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1tnf n GLU 104 N -4.23 0.00 -3.73 5.56 4.07 -1.26 -4.91 120.64 116.14 1tnf n GLU 104 Ca -0.03 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.84 1tnf n GLU 104 Cb 0.68 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 32.10 1tnf n GLU 104 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1tnf n THR 105 N 0.00 -3.75 0.64 6.31 -1.04 -1.09 -4.62 114.28 110.74 1tnf n THR 105 Ca 0.00 -0.30 0.13 0.00 -2.04 0.00 0.00 64.05 61.83 1tnf n THR 105 Cb 0.00 -3.64 0.32 0.00 -1.82 0.00 0.00 70.33 65.18 1tnf n THR 105 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1tnf n PRO 106 N -4.46 0.25 0.00 -2.82 -0.02 -1.25 -4.92 135.00 121.78 1tnf n PRO 106 Ca -0.17 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1tnf n PRO 106 Cb 0.62 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1tnf n PRO 106 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1tnf n GLU 107 N -2.13 0.00 -0.09 -0.52 2.13 -1.26 -3.47 120.64 115.30 1tnf n GLU 107 Ca 0.05 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.75 1tnf n GLU 107 Cb 0.43 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.09 1tnf n GLU 107 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1tnf h GLY 108 N 0.00 0.53 -6.59 8.31 0.00 -1.95 -3.40 103.07 99.98 1tnf h GLY 108 Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 47.33 46.57 1tnf h GLY 108 CO 0.00 0.41 -0.62 0.00 0.00 0.00 0.00 176.54 176.33 1tnf s ALA 109 N -4.72 -0.43 0.00 3.60 0.00 -1.23 -5.14 121.76 113.84 1tnf s ALA 109 Ca -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1tnf s ALA 109 Cb 0.07 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1tnf s ALA 109 CO 0.77 -1.52 0.09 -1.91 0.00 0.00 0.00 175.76 173.18 1tnf n GLU 110 N 5.32 0.00 -2.98 0.00 2.13 -1.26 -4.69 120.64 119.15 1tnf n GLU 110 Ca -0.03 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.35 1tnf n GLU 110 Cb 0.47 -0.45 -0.00 0.00 0.27 0.00 0.00 31.44 31.74 1tnf n GLU 110 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1tnf s ALA 111 N -2.77 4.05 0.27 4.31 0.00 -1.26 -4.53 121.76 121.82 1tnf s ALA 111 Ca 0.00 -3.38 -0.20 0.00 0.00 0.00 0.00 51.96 48.38 1tnf s ALA 111 Cb 0.00 -4.07 -0.09 0.00 0.00 0.00 0.00 23.12 18.96 1tnf s ALA 111 CO 0.00 -2.73 0.78 -1.59 0.00 0.00 0.00 175.76 172.22 1tnf s LYS 112 N 1.35 4.26 0.40 0.00 -2.85 -1.26 -4.51 119.74 117.13 1tnf s LYS 112 Ca 0.41 0.92 -0.22 0.00 -1.00 0.00 0.00 55.97 56.09 1tnf s LYS 112 Cb -0.04 -2.74 -0.11 0.00 -2.06 0.00 0.00 37.83 32.89 1tnf s LYS 112 CO -0.01 0.30 0.94 -1.25 0.10 0.00 0.00 175.35 175.43 1tnf s PRO 113 N -2.26 4.29 0.11 1.78 0.04 -1.26 0.83 135.00 138.54 1tnf s PRO 113 Ca 0.48 1.14 0.07 0.00 0.04 0.00 0.00 61.00 62.72 1tnf s PRO 113 Cb -0.15 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 1tnf s PRO 113 CO 0.20 0.04 -0.17 1.67 0.04 0.00 0.00 177.00 178.79 1tnf s TRP 114 N -2.05 1.56 -0.10 0.56 1.48 0.11 -4.80 118.94 115.69 1tnf s TRP 114 Ca 0.59 -0.48 -0.02 0.00 -1.06 0.00 0.00 56.10 55.13 1tnf s TRP 114 Cb -0.11 -0.83 0.04 0.00 -1.16 0.00 0.00 33.47 31.41 1tnf s TRP 114 CO 0.15 0.18 0.03 0.71 -4.06 0.00 0.00 176.95 173.96 1tnf s TYR 115 N -1.66 0.56 -0.23 1.66 1.51 -1.26 -1.59 117.35 116.34 1tnf s TYR 115 Ca 0.07 -0.24 -0.03 0.00 -1.01 0.00 0.00 57.07 55.86 1tnf s TYR 115 Cb -0.08 -0.77 0.00 0.00 -0.11 0.00 0.00 41.96 41.01 1tnf s TYR 115 CO 0.04 -0.38 -0.04 -1.21 -1.11 0.00 0.00 175.55 172.85 1tnf s GLU 116 N 2.01 3.22 -0.26 -0.62 0.41 0.18 -4.92 118.70 118.72 1tnf s GLU 116 Ca 0.04 -0.73 -0.20 0.00 -0.41 0.00 0.00 54.97 53.66 1tnf s GLU 116 Cb -0.14 -3.03 -0.02 0.00 -1.78 0.00 0.00 34.13 29.17 1tnf s GLU 116 CO -0.06 -0.27 0.63 -1.25 -0.49 0.00 0.00 175.26 173.83 1tnf s PRO 117 N 1.44 4.11 -0.15 0.39 0.04 -1.26 -0.46 135.00 139.11 1tnf s PRO 117 Ca 0.04 0.54 -0.05 0.00 0.04 0.00 0.00 61.00 61.58 1tnf s PRO 117 Cb -0.15 -3.65 -0.03 0.00 0.04 0.00 0.00 34.50 30.70 1tnf s PRO 117 CO -0.03 -0.42 0.01 0.42 0.04 0.00 0.00 177.00 177.02 1tnf s ILE 118 N 2.51 4.38 0.11 0.56 1.01 -0.44 -4.98 121.20 124.34 1tnf s ILE 118 Ca 0.26 -0.19 0.09 0.00 0.00 0.00 0.00 60.65 60.81 1tnf s ILE 118 Cb -0.15 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1tnf s ILE 118 CO 0.08 0.51 -0.23 -0.47 0.00 0.00 0.00 174.94 174.84 1tnf s TYR 119 N 0.01 2.00 0.03 3.97 5.04 -1.26 -0.69 117.35 126.45 1tnf s TYR 119 Ca 0.03 -0.40 -0.05 0.00 -2.44 0.00 0.00 57.07 54.21 1tnf s TYR 119 Cb -0.13 -1.10 -0.01 0.00 0.35 0.00 0.00 41.96 41.08 1tnf s TYR 119 CO 0.02 0.25 0.10 -0.51 -1.34 0.00 0.00 175.55 174.06 1tnf s LEU 120 N -1.92 1.79 0.00 6.97 1.02 0.03 -4.98 118.68 121.60 1tnf s LEU 120 Ca 0.09 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.75 1tnf s LEU 120 Cb -0.10 0.59 0.00 0.00 0.02 0.00 0.00 46.19 46.70 1tnf s LEU 120 CO 0.05 -0.49 0.00 0.61 0.02 0.00 0.00 176.35 176.54 1tnf n GLY 121 N 0.87 2.55 3.64 -3.19 0.00 -1.26 -0.71 105.19 107.10 1tnf n GLY 121 Ca -0.20 0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 1tnf n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tnf s GLY 122 N 0.00 -0.34 -0.16 -0.02 0.00 -0.01 -4.96 107.32 101.84 1tnf s GLY 122 Ca 0.00 0.56 -0.16 0.00 0.00 0.00 0.00 44.72 45.12 1tnf s GLY 122 CO 0.00 0.16 0.39 0.14 0.00 0.00 0.00 173.10 173.79 1tnf s VAL 123 N -3.12 5.23 0.14 1.40 1.01 -1.26 -2.55 120.40 121.24 1tnf s VAL 123 Ca 0.10 0.75 0.05 0.00 0.00 0.00 0.00 61.98 62.87 1tnf s VAL 123 Cb -0.01 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1tnf s VAL 123 CO -0.03 0.33 -0.12 -0.36 0.00 0.00 0.00 175.10 174.92 1tnf s PHE 124 N 0.76 1.32 -0.66 5.22 0.40 -1.03 -4.98 117.98 119.01 1tnf s PHE 124 Ca 0.21 -0.66 -0.13 0.00 -0.60 0.00 0.00 56.93 55.75 1tnf s PHE 124 Cb -0.14 -0.68 0.17 0.00 0.51 0.00 0.00 43.02 42.88 1tnf s PHE 124 CO 0.07 0.12 0.59 -1.14 0.70 0.00 0.00 175.22 175.57 1tnf s GLN 125 N -3.23 3.16 0.87 0.44 0.74 -1.26 -0.95 119.66 119.42 1tnf s GLN 125 Ca 0.13 -2.11 -0.10 0.00 0.05 0.00 0.00 55.36 53.33 1tnf s GLN 125 Cb -0.01 -4.26 0.18 0.00 1.10 0.00 0.00 33.01 30.01 1tnf s GLN 125 CO 0.02 -1.28 1.19 -0.51 -0.55 0.00 0.00 175.29 174.16 1tnf s LEU 126 N 0.81 2.83 0.34 3.68 1.43 -0.08 -4.89 118.68 122.79 1tnf s LEU 126 Ca 0.11 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1tnf s LEU 126 Cb -0.20 -2.10 -0.06 0.00 0.03 0.00 0.00 46.19 43.86 1tnf s LEU 126 CO -0.03 -2.41 0.07 -1.61 0.23 0.00 0.00 176.35 172.59 1tnf s GLU 127 N -5.59 1.69 0.24 1.70 2.02 -1.26 -3.14 118.70 114.36 1tnf s GLU 127 Ca 0.71 -1.95 -0.30 0.00 0.02 0.00 0.00 54.97 53.45 1tnf s GLU 127 Cb -0.04 -0.83 -0.09 0.00 0.10 0.00 0.00 34.13 33.27 1tnf s GLU 127 CO 0.50 -0.23 1.32 0.21 0.02 0.00 0.00 175.26 177.07 1tnf s LYS 128 N -3.87 4.38 0.00 1.61 2.20 -1.26 -3.53 119.74 119.26 1tnf s LYS 128 Ca 0.34 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 1tnf s LYS 128 Cb 0.08 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1tnf s LYS 128 CO 0.15 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 1tnf n GLY 129 N 1.97 2.39 3.75 5.54 0.00 0.46 -4.84 105.19 114.47 1tnf n GLY 129 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1tnf n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1tnf s ASP 130 N -1.54 7.34 0.59 1.61 1.47 -1.23 -4.66 116.67 120.25 1tnf s ASP 130 Ca 0.00 1.59 -0.15 0.00 1.18 0.00 0.00 52.55 55.18 1tnf s ASP 130 Cb 0.00 -2.51 -0.04 0.00 -0.34 0.00 0.00 42.92 40.03 1tnf s ASP 130 CO 0.00 0.04 1.04 -0.13 0.68 0.00 0.00 175.17 176.79 1tnf s ARG 131 N -0.30 3.44 -0.12 2.11 1.81 -0.64 -2.84 118.95 122.41 1tnf s ARG 131 Ca 0.40 1.05 0.03 0.00 -1.72 0.00 0.00 55.73 55.49 1tnf s ARG 131 Cb -0.22 -2.06 0.00 0.00 -0.45 0.00 0.00 34.95 32.23 1tnf s ARG 131 CO 0.26 -0.70 -0.22 -0.51 -0.68 0.00 0.00 175.30 173.45 1tnf s LEU 132 N -4.65 2.19 0.10 2.53 2.01 -0.60 -2.25 118.68 118.01 1tnf s LEU 132 Ca 0.60 -0.54 0.06 0.00 0.01 0.00 0.00 54.13 54.26 1tnf s LEU 132 Cb -0.14 -1.45 -0.04 0.00 0.01 0.00 0.00 46.19 44.57 1tnf s LEU 132 CO 0.40 0.13 -0.04 -0.44 1.01 0.00 0.00 176.35 177.41 1tnf s SER 133 N 0.51 4.73 -0.54 2.29 0.01 -0.25 -2.05 113.70 118.40 1tnf s SER 133 Ca -0.14 -0.28 0.06 0.00 1.31 0.00 0.00 55.95 56.90 1tnf s SER 133 Cb -0.17 -1.03 0.22 0.00 0.21 0.00 0.00 66.02 65.25 1tnf s SER 133 CO 0.05 0.17 0.56 0.00 0.41 0.00 0.00 173.24 174.42 1tnf n ALA 134 N 0.58 3.25 -2.60 1.44 0.00 -1.26 -2.38 120.51 119.54 1tnf n ALA 134 Ca -0.12 -4.03 -0.27 0.00 0.00 0.00 0.00 53.44 49.02 1tnf n ALA 134 Cb 0.52 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1tnf n ALA 134 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1tnf s GLU 135 N -1.43 3.57 0.06 0.00 8.01 -1.03 -4.87 118.70 123.02 1tnf s GLU 135 Ca 0.34 -0.15 0.04 0.00 0.01 0.00 0.00 54.97 55.22 1tnf s GLU 135 Cb 0.09 -2.69 -0.04 0.00 -4.31 0.00 0.00 34.13 27.19 1tnf s GLU 135 CO -0.11 0.23 -0.03 0.96 0.01 0.00 0.00 175.26 176.33 1tnf s ILE 136 N -2.10 3.86 -0.38 -1.63 -4.36 -1.26 -1.76 121.20 113.57 1tnf s ILE 136 Ca 0.42 -0.92 0.22 0.00 -0.26 0.00 0.00 60.65 60.10 1tnf s ILE 136 Cb -0.10 -2.78 0.27 0.00 1.25 0.00 0.00 42.46 41.09 1tnf s ILE 136 CO 0.31 0.22 1.52 -0.55 0.24 0.00 0.00 174.94 176.69 1tnf h ASN 137 N 3.84 0.00 -2.15 4.36 -1.07 -1.92 -3.38 115.58 115.26 1tnf h ASN 137 Ca -0.48 0.00 -0.59 0.00 0.07 0.00 0.00 56.30 55.30 1tnf h ASN 137 Cb 1.17 0.00 -0.41 0.00 -2.07 0.00 0.00 38.32 37.00 1tnf h ASN 137 CO 0.57 0.07 -0.70 0.54 0.07 0.00 0.00 177.43 177.98 1tnf n ARG 138 N -3.07 2.16 -0.49 4.14 1.74 -1.26 -4.94 116.66 114.94 1tnf n ARG 138 Ca 0.03 -4.38 0.41 0.00 -0.77 0.00 0.00 57.85 53.14 1tnf n ARG 138 Cb 0.56 -2.04 0.69 0.00 -1.02 0.00 0.00 32.46 30.65 1tnf n ARG 138 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1tnf h PRO 139 N 4.12 0.05 -0.28 5.56 0.13 -1.91 0.57 132.00 140.24 1tnf h PRO 139 Ca 0.17 -0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.38 1tnf h PRO 139 Cb 0.70 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1tnf h PRO 139 CO 0.76 0.03 0.29 0.38 -0.23 0.00 0.00 178.00 179.24 1tnf h ASP 140 N 0.05 0.00 -0.28 1.44 2.03 -1.92 -0.51 116.42 117.23 1tnf h ASP 140 Ca 0.85 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.15 1tnf h ASP 140 Cb 2.84 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 41.34 1tnf h ASP 140 CO -0.34 0.00 0.00 -1.22 -1.03 0.00 0.00 179.24 176.65 1tnf n TYR 141 N -3.83 0.66 -3.02 4.15 0.53 0.19 -4.92 117.16 110.92 1tnf n TYR 141 Ca 0.04 -0.26 -0.38 0.00 -1.02 0.00 0.00 57.90 56.28 1tnf n TYR 141 Cb 0.44 -0.14 -0.06 0.00 -1.03 0.00 0.00 39.34 38.55 1tnf n TYR 141 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1tnf s LEU 142 N -1.09 4.50 0.05 7.72 1.43 -0.20 -0.94 118.68 130.15 1tnf s LEU 142 Ca 0.22 1.56 -0.25 0.00 -1.03 0.00 0.00 54.13 54.63 1tnf s LEU 142 Cb 0.14 -3.40 -0.06 0.00 0.03 0.00 0.00 46.19 42.90 1tnf s LEU 142 CO 0.10 0.14 0.77 -0.22 0.23 0.00 0.00 176.35 177.38 1tnf s LEU 143 N -1.46 4.46 -0.39 1.79 2.96 -1.25 -4.76 118.68 120.04 1tnf s LEU 143 Ca 0.38 1.47 0.10 0.00 -0.22 0.00 0.00 54.13 55.87 1tnf s LEU 143 Cb -0.21 -3.25 0.32 0.00 0.50 0.00 0.00 46.19 43.56 1tnf s LEU 143 CO 0.24 0.02 0.68 0.49 -1.32 0.00 0.00 176.35 176.46 1tnf n PHE 144 N 2.76 0.21 -0.88 5.38 3.72 -1.26 -4.74 117.46 122.64 1tnf n PHE 144 Ca -0.02 -3.75 0.00 0.00 -0.05 0.00 0.00 57.45 53.62 1tnf n PHE 144 Cb 0.50 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1tnf n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1tnf n ALA 145 N 0.60 0.74 -3.67 4.37 0.00 -1.26 -5.07 120.51 116.22 1tnf n ALA 145 Ca 0.24 -0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 1tnf n ALA 145 Cb 0.61 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.92 1tnf n ALA 145 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1tnf s GLU 146 N -0.06 0.14 0.09 0.00 2.02 -1.26 -5.04 118.70 114.58 1tnf s GLU 146 Ca 0.00 0.42 0.21 0.00 0.02 0.00 0.00 54.97 55.62 1tnf s GLU 146 Cb 0.00 -0.13 -0.13 0.00 0.10 0.00 0.00 34.13 33.96 1tnf s GLU 146 CO 0.00 -0.15 0.79 0.45 0.02 0.00 0.00 175.26 176.37 1tnf n SER 147 N 4.10 0.59 -3.42 -0.19 2.88 -1.26 -4.32 113.62 112.00 1tnf n SER 147 Ca -0.25 0.24 -0.40 0.00 -1.33 0.00 0.00 58.87 57.13 1tnf n SER 147 Cb 0.53 0.79 -0.02 0.00 -0.75 0.00 0.00 64.21 64.76 1tnf n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tnf n GLY 148 N 1.29 4.64 1.28 0.46 0.00 -1.26 -3.79 105.19 107.81 1tnf n GLY 148 Ca -0.05 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1tnf n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tnf n GLN 149 N 3.08 0.00 -3.91 1.61 10.64 -1.26 -5.12 117.38 122.42 1tnf n GLN 149 Ca 0.69 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 55.51 1tnf n GLN 149 Cb 0.25 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.49 1tnf n GLN 149 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1tnf s VAL 150 N -0.64 3.38 0.36 -0.39 0.11 -1.25 -4.07 120.40 117.89 1tnf s VAL 150 Ca 0.00 -0.49 -0.11 0.00 -2.93 0.00 0.00 61.98 58.45 1tnf s VAL 150 Cb 0.00 -2.54 0.05 0.00 -1.53 0.00 0.00 36.38 32.36 1tnf s VAL 150 CO 0.00 0.42 0.67 0.00 -3.33 0.00 0.00 175.10 172.87 1tnf n TYR 151 N 4.80 -2.09 -3.61 1.54 4.11 -0.73 -2.66 117.16 118.52 1tnf n TYR 151 Ca -0.18 -1.81 -0.03 0.00 -0.00 0.00 0.00 57.90 55.87 1tnf n TYR 151 Cb 0.51 0.79 -0.06 0.00 -0.00 0.00 0.00 39.34 40.57 1tnf n TYR 151 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.86 176.98 1tnf s PHE 152 N -2.79 -0.88 0.18 -3.48 5.99 -0.73 -2.48 117.98 113.78 1tnf s PHE 152 Ca 0.17 1.69 -0.13 0.00 0.00 0.00 0.00 56.93 58.67 1tnf s PHE 152 Cb -0.04 0.53 0.01 0.00 0.00 0.00 0.00 43.02 43.52 1tnf s PHE 152 CO 0.13 -0.44 0.39 0.20 -0.00 0.00 0.00 175.22 175.50 1tnf s GLY 153 N 1.82 0.19 0.30 13.12 0.00 -1.13 -0.56 107.32 121.06 1tnf s GLY 153 Ca -0.08 -0.56 0.05 0.00 0.00 0.00 0.00 44.72 44.12 1tnf s GLY 153 CO -0.18 -0.56 0.22 -0.26 0.00 0.00 0.00 173.10 172.32 1tnf s ILE 154 N -3.92 0.08 -0.30 0.90 -4.36 -0.83 -2.29 121.20 110.49 1tnf s ILE 154 Ca 0.13 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.35 1tnf s ILE 154 Cb 0.01 -2.49 0.18 0.00 1.25 0.00 0.00 42.46 41.41 1tnf s ILE 154 CO -0.02 0.00 1.13 -0.51 0.24 0.00 0.00 174.94 175.78 1tnf s ILE 155 N -3.62 -0.25 0.36 8.37 2.07 -0.99 -1.79 121.20 125.35 1tnf s ILE 155 Ca 0.39 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.35 1tnf s ILE 155 Cb 0.04 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.53 1tnf s ILE 155 CO 0.22 0.00 1.28 0.00 -1.91 0.00 0.00 174.94 174.53 1tnf s ALA 156 N 2.10 3.37 0.00 1.50 0.00 -0.37 -1.22 121.76 127.14 1tnf s ALA 156 Ca -0.02 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1tnf s ALA 156 Cb -0.03 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1tnf s ALA 156 CO -0.16 -0.67 0.46 1.28 0.00 0.00 0.00 175.76 176.67