#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twf n THR 2 N 0.00 4.21 -1.77 2.03 -1.04 -1.26 -5.01 114.28 111.44 1twf n THR 2 Ca 0.00 -5.67 -0.34 0.00 -2.04 0.00 0.00 64.05 56.00 1twf n THR 2 Cb 0.00 -2.04 -0.03 0.00 -1.82 0.00 0.00 70.33 66.43 1twf n THR 2 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1twf s THR 3 N -2.80 3.16 0.46 12.58 2.01 -1.26 -4.94 115.64 124.85 1twf s THR 3 Ca 0.35 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 62.30 1twf s THR 3 Cb 0.10 -3.42 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 1twf s THR 3 CO 0.05 -0.41 0.83 0.72 -0.69 0.00 0.00 174.62 175.12 1twf s PHE 4 N 11.16 3.50 0.19 4.92 -0.12 -1.26 -5.09 117.98 131.28 1twf s PHE 4 Ca 0.84 1.10 0.06 0.00 -0.05 0.00 0.00 56.93 58.88 1twf s PHE 4 Cb -0.14 -2.50 -0.04 0.00 -0.63 0.00 0.00 43.02 39.71 1twf s PHE 4 CO 0.21 -0.23 0.09 1.03 -0.05 0.00 0.00 175.22 176.26 1twf s ARG 5 N -4.16 2.70 0.35 1.99 0.52 -1.26 -5.07 118.95 114.02 1twf s ARG 5 Ca 0.52 -1.01 0.08 0.00 -0.52 0.00 0.00 55.73 54.80 1twf s ARG 5 Cb -0.10 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.83 1twf s ARG 5 CO 0.36 0.45 0.23 -0.06 0.02 0.00 0.00 175.30 176.30 1twf s PHE 6 N -1.84 2.78 0.55 -0.53 0.40 -1.26 -2.66 117.98 115.41 1twf s PHE 6 Ca 0.30 -0.38 -0.22 0.00 -0.60 0.00 0.00 56.93 56.04 1twf s PHE 6 Cb -0.09 -1.79 -0.05 0.00 0.51 0.00 0.00 43.02 41.60 1twf s PHE 6 CO 0.22 0.21 1.34 0.00 0.70 0.00 0.00 175.22 177.69 1twf h ARG 8 N 1.40 0.00 0.00 0.00 2.43 -1.98 -2.95 114.38 113.28 1twf h ARG 8 Ca -0.51 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.54 1twf h ARG 8 Cb 1.31 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 1twf h ARG 8 CO 0.57 0.47 -1.39 -0.25 -1.51 0.00 0.00 179.97 177.86 1twf n ASP 9 N -3.30 1.94 -0.90 -3.80 8.00 -1.26 -4.72 116.55 112.51 1twf n ASP 9 Ca 0.01 0.34 0.12 0.00 0.71 0.00 0.00 54.79 55.98 1twf n ASP 9 Cb 0.67 -0.77 0.13 0.00 -0.02 0.00 0.00 41.12 41.14 1twf n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1twf n ASN 11 N 1.18 -5.48 -4.95 0.00 5.15 -1.11 -4.93 115.26 105.11 1twf n ASN 11 Ca 0.14 -0.12 -0.24 0.00 -0.60 0.00 0.00 54.58 53.77 1twf n ASN 11 Cb 0.57 -4.52 -0.02 0.00 -0.53 0.00 0.00 39.78 35.28 1twf n ASN 11 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1twf s ASN 12 N -2.34 6.33 0.28 1.20 0.02 -1.26 -4.62 114.94 114.55 1twf s ASN 12 Ca 0.15 0.22 -0.30 0.00 -1.02 0.00 0.00 52.86 51.90 1twf s ASN 12 Cb -0.07 -1.93 -0.12 0.00 0.02 0.00 0.00 41.25 39.15 1twf s ASN 12 CO 0.18 -0.07 1.53 0.80 0.02 0.00 0.00 177.10 179.56 1twf n MET 13 N -1.12 2.48 -3.40 -0.60 0.00 -1.26 -0.74 117.12 112.48 1twf n MET 13 Ca -0.07 0.88 -0.32 0.00 -0.00 0.00 0.00 57.70 58.19 1twf n MET 13 Cb 0.56 -2.62 -0.05 0.00 0.00 0.00 0.00 33.22 31.10 1twf n MET 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1twf s LEU 14 N -0.33 4.18 -0.01 -0.89 1.43 -1.09 -4.63 118.68 117.34 1twf s LEU 14 Ca 0.65 0.95 0.08 0.00 -1.03 0.00 0.00 54.13 54.78 1twf s LEU 14 Cb -0.55 -3.67 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 1twf s LEU 14 CO 0.49 -0.07 -0.26 -0.31 0.23 0.00 0.00 176.35 176.44 1twf s TYR 15 N -1.80 2.33 0.47 0.29 1.51 0.11 -4.90 117.35 115.36 1twf s TYR 15 Ca 0.47 -0.43 -0.24 0.00 -1.01 0.00 0.00 57.07 55.86 1twf s TYR 15 Cb -0.11 -1.49 -0.07 0.00 -0.11 0.00 0.00 41.96 40.18 1twf s TYR 15 CO 0.21 -0.01 1.32 -1.25 -1.11 0.00 0.00 175.55 174.71 1twf s PRO 16 N -0.70 3.60 -0.05 -1.71 0.04 -1.26 -0.75 135.00 134.16 1twf s PRO 16 Ca 0.10 2.17 -0.10 0.00 0.04 0.00 0.00 61.00 63.21 1twf s PRO 16 Cb -0.10 -2.51 0.02 0.00 0.04 0.00 0.00 34.50 31.95 1twf s PRO 16 CO -0.01 -0.80 0.24 1.03 0.04 0.00 0.00 177.00 177.50 1twf s ARG 17 N -2.58 0.44 -0.12 4.56 1.81 0.76 -4.85 118.95 118.96 1twf s ARG 17 Ca 0.64 0.04 -0.13 0.00 -1.72 0.00 0.00 55.73 54.56 1twf s ARG 17 Cb -0.38 0.20 -0.05 0.00 -0.45 0.00 0.00 34.95 34.27 1twf s ARG 17 CO 0.48 -0.09 0.30 -2.00 -0.68 0.00 0.00 175.30 173.30 1twf s GLU 18 N -0.59 4.06 -0.87 3.54 2.12 -1.26 -0.12 118.70 125.58 1twf s GLU 18 Ca -0.07 0.13 -0.19 0.00 0.36 0.00 0.00 54.97 55.20 1twf s GLU 18 Cb -0.04 -3.35 0.12 0.00 0.26 0.00 0.00 34.13 31.12 1twf s GLU 18 CO 0.02 0.41 1.07 0.34 -0.54 0.00 0.00 175.26 176.56 1twf s ASP 19 N -0.07 6.54 0.00 -1.70 3.68 -0.69 -4.88 116.67 119.55 1twf s ASP 19 Ca 0.18 -1.88 0.00 0.00 2.13 0.00 0.00 52.55 52.98 1twf s ASP 19 Cb -0.14 -2.39 0.00 0.00 -1.45 0.00 0.00 42.92 38.94 1twf s ASP 19 CO 0.06 -1.11 0.63 0.29 0.13 0.00 0.00 175.17 175.17 1twf n LYS 20 N 6.63 0.00 -0.08 4.34 5.02 -1.26 -0.71 118.16 132.10 1twf n LYS 20 Ca 0.18 0.15 -0.16 0.00 -2.02 0.00 0.00 58.31 56.46 1twf n LYS 20 Cb 0.48 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 1twf n LYS 20 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1twf n GLU 21 N -1.13 0.33 -0.12 1.97 1.02 -1.26 -4.62 120.64 116.83 1twf n GLU 21 Ca 0.00 0.14 0.11 0.00 -0.02 0.00 0.00 57.16 57.39 1twf n GLU 21 Cb 0.01 -1.07 0.31 0.00 -0.02 0.00 0.00 31.44 30.67 1twf n GLU 21 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1twf n ASN 22 N -3.65 2.32 -3.57 1.62 3.02 -1.18 -4.98 115.26 108.83 1twf n ASN 22 Ca -0.30 -1.82 -0.25 0.00 -0.03 0.00 0.00 54.58 52.17 1twf n ASN 22 Cb 0.72 -0.15 0.01 0.00 -0.61 0.00 0.00 39.78 39.75 1twf n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1twf n ASN 23 N 0.75 -5.54 -3.89 6.41 3.02 0.11 -5.02 115.26 111.11 1twf n ASN 23 Ca 0.17 -0.54 -0.09 0.00 -0.03 0.00 0.00 54.58 54.09 1twf n ASN 23 Cb 0.43 -2.28 -0.07 0.00 -0.61 0.00 0.00 39.78 37.25 1twf n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1twf s ARG 24 N -3.86 1.01 -0.18 3.52 1.70 -1.22 -4.98 118.95 114.94 1twf s ARG 24 Ca 0.13 -1.05 -0.16 0.00 -0.47 0.00 0.00 55.73 54.19 1twf s ARG 24 Cb -0.02 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 1twf s ARG 24 CO 0.87 -0.35 0.38 -1.17 -1.08 0.00 0.00 175.30 173.95 1twf s LEU 25 N -2.91 4.20 0.39 -1.89 2.96 -1.26 -1.70 118.68 118.47 1twf s LEU 25 Ca 0.11 0.56 0.08 0.00 -0.22 0.00 0.00 54.13 54.66 1twf s LEU 25 Cb 0.04 -2.50 -0.06 0.00 0.50 0.00 0.00 46.19 44.17 1twf s LEU 25 CO -0.06 -0.01 0.07 -0.76 -1.32 0.00 0.00 176.35 174.27 1twf s LEU 26 N 0.94 2.99 -0.20 -0.68 1.43 0.83 -1.04 118.68 122.95 1twf s LEU 26 Ca 0.19 -1.15 -0.05 0.00 -1.03 0.00 0.00 54.13 52.09 1twf s LEU 26 Cb -0.14 -1.22 0.07 0.00 0.03 0.00 0.00 46.19 44.92 1twf s LEU 26 CO 0.07 -0.42 0.10 -0.36 0.23 0.00 0.00 176.35 175.97 1twf s PHE 27 N -2.61 0.25 0.52 0.29 0.40 0.16 -0.17 117.98 116.82 1twf s PHE 27 Ca 0.37 -0.46 0.08 0.00 -0.60 0.00 0.00 56.93 56.32 1twf s PHE 27 Cb 0.05 -0.75 0.05 0.00 0.51 0.00 0.00 43.02 42.87 1twf s PHE 27 CO 0.20 -0.59 0.61 -1.83 0.70 0.00 0.00 175.22 174.31 1twf s GLU 28 N 2.12 2.39 0.18 0.44 -1.05 0.07 -1.62 118.70 121.23 1twf s GLU 28 Ca 0.04 -1.67 0.08 0.00 -0.15 0.00 0.00 54.97 53.26 1twf s GLU 28 Cb -0.16 -2.48 -0.04 0.00 -0.44 0.00 0.00 34.13 31.01 1twf s GLU 28 CO -0.16 -0.63 -0.01 0.00 0.95 0.00 0.00 175.26 175.41 1twf n ARG 30 N -0.15 1.84 -0.05 0.00 1.74 -1.26 -4.54 116.66 114.24 1twf n ARG 30 Ca -0.10 -1.78 -0.04 0.00 -0.77 0.00 0.00 57.85 55.16 1twf n ARG 30 Cb 0.55 -1.37 -0.01 0.00 -1.02 0.00 0.00 32.46 30.61 1twf n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1twf n THR 31 N 1.06 0.81 -1.49 0.55 -1.04 -1.26 -5.03 114.28 107.88 1twf n THR 31 Ca 0.13 0.32 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 1twf n THR 31 Cb 0.48 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 1twf n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twf n SER 33 N 0.00 3.79 -4.74 0.00 7.64 -1.26 -4.65 113.62 114.39 1twf n SER 33 Ca 0.00 -2.98 -0.35 0.00 1.01 0.00 0.00 58.87 56.55 1twf n SER 33 Cb 0.00 -0.53 0.06 0.00 -1.01 0.00 0.00 64.21 62.73 1twf n SER 33 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1twf s TYR 34 N -2.76 2.30 0.10 1.43 5.04 -1.26 -4.88 117.35 117.32 1twf s TYR 34 Ca 0.41 1.56 -0.25 0.00 -2.44 0.00 0.00 57.07 56.35 1twf s TYR 34 Cb 0.33 -3.41 0.08 0.00 0.35 0.00 0.00 41.96 39.30 1twf s TYR 34 CO 0.09 -2.26 0.67 0.54 -1.34 0.00 0.00 175.55 173.25 1twf s VAL 35 N -1.90 0.00 0.02 3.14 0.11 -1.26 -1.93 120.40 118.58 1twf s VAL 35 Ca 0.74 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.51 1twf s VAL 35 Cb -0.28 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.67 1twf s VAL 35 CO 0.39 0.00 0.89 -1.83 -3.33 0.00 0.00 175.10 171.23 1twf s GLU 36 N -3.37 0.87 0.80 1.54 -1.05 -0.64 -4.96 118.70 111.89 1twf s GLU 36 Ca 0.01 -0.35 -0.11 0.00 -0.15 0.00 0.00 54.97 54.37 1twf s GLU 36 Cb -0.01 0.38 0.07 0.00 -0.44 0.00 0.00 34.13 34.14 1twf s GLU 36 CO -0.10 -0.38 1.09 -1.83 0.95 0.00 0.00 175.26 174.98 1twf s GLU 37 N -3.15 2.03 0.03 -4.83 -1.05 -1.26 0.39 118.70 110.87 1twf s GLU 37 Ca 0.06 0.85 -0.06 0.00 -0.15 0.00 0.00 54.97 55.66 1twf s GLU 37 Cb -0.01 -1.90 -0.05 0.00 -0.44 0.00 0.00 34.13 31.74 1twf s GLU 37 CO -0.08 -1.71 0.29 0.00 0.95 0.00 0.00 175.26 174.72 1twf s ALA 38 N -3.03 3.84 0.03 -0.84 0.00 -0.21 -4.66 121.76 116.89 1twf s ALA 38 Ca 0.61 -0.57 -0.20 0.00 0.00 0.00 0.00 51.96 51.81 1twf s ALA 38 Cb -0.16 -2.08 -0.18 0.00 0.00 0.00 0.00 23.12 20.70 1twf s ALA 38 CO 0.55 0.65 1.23 0.78 0.00 0.00 0.00 175.76 178.98 1twf h GLY 39 N 3.77 0.46 -2.51 0.00 0.00 -1.96 -3.47 103.07 99.36 1twf h GLY 39 Ca -0.49 -0.61 -0.34 0.00 0.00 0.00 0.00 47.33 45.88 1twf h GLY 39 CO 0.67 0.55 -0.65 -1.35 0.00 0.00 0.00 176.54 175.76 1twf s SER 40 N -6.46 1.51 0.00 0.19 1.04 -1.26 -5.04 113.70 103.68 1twf s SER 40 Ca -0.14 -1.23 0.28 0.00 0.48 0.00 0.00 55.95 55.35 1twf s SER 40 Cb 0.05 0.07 1.16 0.00 0.10 0.00 0.00 66.02 67.40 1twf s SER 40 CO 0.79 -0.57 1.82 -0.81 0.98 0.00 0.00 173.24 175.46 1twf n PRO 41 N -0.36 0.53 -2.35 4.02 -0.04 -1.26 -4.80 135.00 130.73 1twf n PRO 41 Ca -0.05 -0.18 -0.43 0.00 -0.04 0.00 0.00 63.50 62.81 1twf n PRO 41 Cb 0.64 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 1twf n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1twf s LEU 42 N -2.59 3.75 -0.00 1.53 2.96 -1.26 -4.86 118.68 118.21 1twf s LEU 42 Ca 0.25 1.08 0.10 0.00 -0.22 0.00 0.00 54.13 55.35 1twf s LEU 42 Cb 0.20 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 43.22 1twf s LEU 42 CO 0.50 -1.26 0.36 0.52 -1.32 0.00 0.00 176.35 175.16 1twf n VAL 43 N 6.62 0.00 -3.59 1.68 0.31 -1.26 -4.91 118.33 117.18 1twf n VAL 43 Ca 0.16 -0.25 -0.15 0.00 -0.01 0.00 0.00 64.34 64.08 1twf n VAL 43 Cb 0.47 0.76 -0.07 0.00 -0.91 0.00 0.00 33.84 34.10 1twf n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1twf s TYR 44 N -2.20 -0.74 -0.06 3.52 5.04 -1.26 -5.03 117.35 116.62 1twf s TYR 44 Ca 0.01 1.65 -0.04 0.00 -2.44 0.00 0.00 57.07 56.25 1twf s TYR 44 Cb 0.07 0.32 0.02 0.00 0.35 0.00 0.00 41.96 42.72 1twf s TYR 44 CO 0.42 -0.46 0.15 0.50 -1.34 0.00 0.00 175.55 174.82 1twf s ARG 45 N -0.16 0.15 -0.21 4.97 6.06 -1.26 -5.02 118.95 123.48 1twf s ARG 45 Ca -0.04 0.26 -0.02 0.00 -2.50 0.00 0.00 55.73 53.43 1twf s ARG 45 Cb -0.03 0.00 0.06 0.00 0.06 0.00 0.00 34.95 35.04 1twf s ARG 45 CO 0.04 -0.06 0.03 -1.58 -2.50 0.00 0.00 175.30 171.23 1twf s HIS 46 N 0.42 1.27 -0.43 5.12 5.65 -1.26 -4.88 115.29 121.17 1twf s HIS 46 Ca -0.03 -1.06 -0.17 0.00 0.25 0.00 0.00 55.06 54.06 1twf s HIS 46 Cb -0.04 -1.16 0.03 0.00 -1.18 0.00 0.00 32.58 30.23 1twf s HIS 46 CO -0.02 -0.66 0.43 -1.21 -0.65 0.00 0.00 174.74 172.63 1twf s GLU 47 N 1.78 3.07 0.09 2.88 2.02 -1.26 -4.92 118.70 122.36 1twf s GLU 47 Ca -0.01 -0.83 -0.12 0.00 0.02 0.00 0.00 54.97 54.03 1twf s GLU 47 Cb -0.17 -3.98 -0.20 0.00 0.10 0.00 0.00 34.13 29.87 1twf s GLU 47 CO -0.09 -0.87 1.23 -0.07 0.02 0.00 0.00 175.26 175.47 1twf h LEU 48 N 9.02 0.86 -7.58 1.80 3.38 -2.08 -3.37 115.31 117.34 1twf h LEU 48 Ca -0.27 -0.67 -0.73 0.00 0.09 0.00 0.00 57.88 56.30 1twf h LEU 48 Cb 1.11 -0.26 -0.32 0.00 0.09 0.00 0.00 40.66 41.28 1twf h LEU 48 CO 0.80 1.47 -0.10 -0.63 0.09 0.00 0.00 178.44 180.07 1twf s ILE 49 N -3.37 4.58 0.21 1.22 1.01 -1.26 -5.08 121.20 118.52 1twf s ILE 49 Ca -0.09 -3.08 -0.14 0.00 0.00 0.00 0.00 60.65 57.33 1twf s ILE 49 Cb 0.07 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 1twf s ILE 49 CO 0.91 -1.00 0.60 -0.89 0.00 0.00 0.00 174.94 174.57 1twf s THR 50 N -0.41 4.81 -0.08 2.92 2.01 -1.26 -5.00 115.64 118.62 1twf s THR 50 Ca 0.21 0.82 0.04 0.00 0.31 0.00 0.00 61.69 63.07 1twf s THR 50 Cb -0.14 -3.70 -0.08 0.00 0.01 0.00 0.00 72.50 68.59 1twf s THR 50 CO -0.07 0.09 -0.02 0.59 -0.69 0.00 0.00 174.62 174.51 1twf n ASN 51 N 0.37 3.20 -4.66 3.53 4.13 -1.26 -5.02 115.26 115.55 1twf n ASN 51 Ca -0.02 -0.02 -0.45 0.00 1.68 0.00 0.00 54.58 55.77 1twf n ASN 51 Cb 0.52 0.31 -0.03 0.00 -1.54 0.00 0.00 39.78 39.04 1twf n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1twf n ILE 52 N -2.50 1.02 0.00 2.41 3.06 -1.26 -2.77 119.36 119.31 1twf n ILE 52 Ca -0.14 -0.25 0.00 0.00 -2.50 0.00 0.00 62.75 59.85 1twf n ILE 52 Cb 0.72 -1.39 0.00 0.00 0.54 0.00 0.00 39.64 39.50 1twf n ILE 52 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1twf n GLY 53 N 2.05 1.88 0.12 4.50 0.00 -1.26 -4.96 105.19 107.53 1twf n GLY 53 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1twf n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1twf n GLU 54 N -0.73 0.22 -0.00 1.61 1.02 -1.11 -3.28 120.64 118.37 1twf n GLU 54 Ca 0.00 0.32 0.08 0.00 -0.02 0.00 0.00 57.16 57.54 1twf n GLU 54 Cb 0.00 -1.84 -0.11 0.00 -0.02 0.00 0.00 31.44 29.47 1twf n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1twf n THR 55 N -2.24 0.00 -1.55 2.62 -1.04 -1.26 -2.76 114.28 108.03 1twf n THR 55 Ca 0.04 -0.27 -0.58 0.00 -2.04 0.00 0.00 64.05 61.20 1twf n THR 55 Cb 0.32 0.50 -0.08 0.00 -1.82 0.00 0.00 70.33 69.25 1twf n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twf n ALA 56 N -1.77 -2.63 0.00 2.41 0.00 -1.20 -2.40 120.51 114.92 1twf n ALA 56 Ca -0.00 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1twf n ALA 56 Cb 0.34 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1twf n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1twf n GLY 57 N 2.10 2.34 3.59 0.00 0.00 -1.26 -4.88 105.19 107.08 1twf n GLY 57 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1twf n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twf s VAL 58 N -2.21 3.39 0.33 1.61 1.01 -1.01 -4.79 120.40 118.73 1twf s VAL 58 Ca 0.00 0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.38 1twf s VAL 58 Cb 0.00 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1twf s VAL 58 CO 0.00 -0.45 0.05 -0.69 0.00 0.00 0.00 175.10 174.01 1twf s VAL 59 N 7.80 1.27 -0.54 2.92 1.01 -1.26 -5.00 120.40 126.60 1twf s VAL 59 Ca 0.80 -2.00 0.16 0.00 0.00 0.00 0.00 61.98 60.94 1twf s VAL 59 Cb -0.21 -2.80 0.16 0.00 0.00 0.00 0.00 36.38 33.54 1twf s VAL 59 CO 0.31 -0.01 1.50 1.67 0.00 0.00 0.00 175.10 178.56 1twf n GLN 60 N -0.70 0.10 -0.04 2.72 -0.06 -1.26 -1.72 117.38 116.42 1twf n GLN 60 Ca -0.03 0.51 0.04 0.00 -2.00 0.00 0.00 57.00 55.53 1twf n GLN 60 Cb 0.67 -1.78 0.06 0.00 -4.06 0.00 0.00 30.24 25.12 1twf n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1twf n ASP 61 N -1.99 2.03 -0.14 1.69 8.00 -1.26 -4.69 116.55 120.19 1twf n ASP 61 Ca 0.00 -1.56 0.28 0.00 0.71 0.00 0.00 54.79 54.22 1twf n ASP 61 Cb 0.09 -0.06 0.69 0.00 -0.02 0.00 0.00 41.12 41.82 1twf n ASP 61 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1twf h ILE 62 N 1.62 0.30 -0.04 0.53 2.10 -1.64 0.16 117.51 120.54 1twf h ILE 62 Ca 0.00 0.00 -0.17 0.00 1.08 0.00 0.00 64.86 65.77 1twf h ILE 62 Cb 0.46 0.42 -0.01 0.00 -1.09 0.00 0.00 36.82 36.60 1twf h ILE 62 CO 0.00 0.00 -0.74 1.23 -1.08 0.00 0.00 178.15 177.56 1twf h GLY 63 N 0.00 0.27 -0.33 8.18 0.00 -1.84 -3.07 103.07 106.28 1twf h GLY 63 Ca 0.40 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1twf h GLY 63 CO -0.00 0.35 0.00 -1.14 0.00 0.00 0.00 176.54 175.75 1twf n SER 64 N -3.78 0.24 -4.41 0.19 3.41 0.56 -4.61 113.62 105.22 1twf n SER 64 Ca -0.03 -1.45 -0.44 0.00 -0.26 0.00 0.00 58.87 56.69 1twf n SER 64 Cb 0.71 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 1twf n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1twf s ASP 65 N -0.95 6.20 0.53 4.04 -1.08 -1.16 -4.93 116.67 119.33 1twf s ASP 65 Ca 0.00 -1.20 0.36 0.00 -0.52 0.00 0.00 52.55 51.19 1twf s ASP 65 Cb 0.00 -2.31 1.85 0.00 -1.46 0.00 0.00 42.92 41.00 1twf s ASP 65 CO 0.00 -1.07 2.09 1.55 0.52 0.00 0.00 175.17 178.26 1twf h PRO 66 N 9.16 0.00 0.00 4.34 0.13 -1.90 -2.76 132.00 140.96 1twf h PRO 66 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1twf h PRO 66 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1twf h PRO 66 CO 1.06 0.00 -0.06 1.79 -0.23 0.00 0.00 178.00 180.56 1twf h THR 67 N 0.00 0.00 -3.86 1.56 1.35 -1.96 -3.46 112.91 106.54 1twf h THR 67 Ca 0.00 -0.64 -0.47 0.00 -0.55 0.00 0.00 66.41 64.75 1twf h THR 67 Cb 0.11 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 1twf h THR 67 CO 0.00 0.00 0.35 -0.76 -0.25 0.00 0.00 175.52 174.86 1twf s LEU 68 N -5.00 4.40 0.47 3.87 1.43 -1.04 -5.04 118.68 117.76 1twf s LEU 68 Ca 0.09 1.86 -0.20 0.00 -1.03 0.00 0.00 54.13 54.86 1twf s LEU 68 Cb 0.10 -3.93 -0.09 0.00 0.03 0.00 0.00 46.19 42.30 1twf s LEU 68 CO 0.63 -0.03 0.99 -2.16 0.23 0.00 0.00 176.35 176.01 1twf s PRO 69 N -1.87 4.01 -0.09 1.29 0.04 -1.26 -4.91 135.00 132.21 1twf s PRO 69 Ca 0.48 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.75 1twf s PRO 69 Cb -0.20 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 1twf s PRO 69 CO 0.26 -0.23 -0.23 1.03 0.04 0.00 0.00 177.00 177.87 1twf s ARG 70 N -3.34 2.92 0.34 4.56 0.52 -1.26 -1.58 118.95 121.12 1twf s ARG 70 Ca 0.63 -0.86 0.09 0.00 -0.52 0.00 0.00 55.73 55.07 1twf s ARG 70 Cb -0.12 -2.30 -0.05 0.00 0.52 0.00 0.00 34.95 33.00 1twf s ARG 70 CO 0.18 0.26 0.04 -1.54 0.02 0.00 0.00 175.30 174.26 1twf s SER 71 N 0.16 4.29 -0.31 0.23 1.04 -1.14 -4.99 113.70 112.97 1twf s SER 71 Ca -0.13 -0.95 0.07 0.00 0.48 0.00 0.00 55.95 55.43 1twf s SER 71 Cb -0.16 -0.57 0.46 0.00 0.10 0.00 0.00 66.02 65.84 1twf s SER 71 CO 0.07 -0.26 1.34 -0.90 0.98 0.00 0.00 173.24 174.48 1twf n ASP 72 N -1.00 3.99 -2.79 7.02 5.75 -1.26 -2.75 116.55 125.52 1twf n ASP 72 Ca -0.04 -3.80 -0.07 0.00 -0.01 0.00 0.00 54.79 50.88 1twf n ASP 72 Cb 0.62 -0.51 0.06 0.00 -1.03 0.00 0.00 41.12 40.26 1twf n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1twf n ARG 73 N -0.91 -1.66 -5.08 0.11 1.74 -1.26 -4.83 116.66 104.76 1twf n ARG 73 Ca 0.38 -0.37 -0.32 0.00 -0.77 0.00 0.00 57.85 56.77 1twf n ARG 73 Cb 0.89 -0.37 -0.17 0.00 -1.02 0.00 0.00 32.46 31.80 1twf n ARG 73 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1twf s GLU 74 N -3.53 3.08 0.03 5.56 2.12 -1.26 -4.26 118.70 120.44 1twf s GLU 74 Ca 0.15 -0.85 -0.24 0.00 0.36 0.00 0.00 54.97 54.39 1twf s GLU 74 Cb -0.02 -2.36 -0.05 0.00 0.26 0.00 0.00 34.13 31.96 1twf s GLU 74 CO 0.12 0.15 0.74 0.00 -0.54 0.00 0.00 175.26 175.73 1twf h PRO 76 N 5.79 0.00 0.00 0.00 0.11 -1.96 -1.17 132.00 134.77 1twf h PRO 76 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1twf h PRO 76 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1twf h PRO 76 CO 0.71 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.13 1twf n LYS 77 N -2.70 0.00 0.00 1.05 5.02 -1.26 -4.71 118.16 115.56 1twf n LYS 77 Ca -0.02 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.42 1twf n LYS 77 Cb 0.47 -0.16 0.71 0.00 -0.02 0.00 0.00 35.03 36.03 1twf n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1twf n HIS 79 N -1.01 0.00 -0.68 0.00 8.25 -0.44 -4.95 115.22 116.39 1twf n HIS 79 Ca 0.16 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.33 1twf n HIS 79 Cb 0.24 -1.52 0.22 0.00 1.12 0.00 0.00 29.99 30.06 1twf n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1twf s SER 80 N -2.02 1.64 -0.04 0.41 1.04 -1.26 -4.44 113.70 109.04 1twf s SER 80 Ca 0.00 1.60 0.09 0.00 0.48 0.00 0.00 55.95 58.12 1twf s SER 80 Cb 0.00 -2.30 0.22 0.00 0.10 0.00 0.00 66.02 64.05 1twf s SER 80 CO 0.00 -3.80 1.17 0.54 0.98 0.00 0.00 173.24 172.13 1twf n ARG 81 N -4.66 2.76 -2.66 4.02 1.74 -1.26 -3.36 116.66 113.24 1twf n ARG 81 Ca 0.05 -2.01 -0.42 0.00 -0.77 0.00 0.00 57.85 54.70 1twf n ARG 81 Cb 0.54 -1.27 -0.02 0.00 -1.02 0.00 0.00 32.46 30.69 1twf n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1twf s GLU 82 N -1.43 3.70 0.19 5.56 0.41 -1.26 -4.20 118.70 121.67 1twf s GLU 82 Ca 0.18 -1.51 0.09 0.00 -0.41 0.00 0.00 54.97 53.32 1twf s GLU 82 Cb 0.12 -5.28 -0.04 0.00 -1.78 0.00 0.00 34.13 27.15 1twf s GLU 82 CO 0.08 -2.10 -0.09 -0.80 -0.49 0.00 0.00 175.26 171.86 1twf s ASN 83 N 4.42 4.27 -0.01 -0.19 0.01 -1.11 -0.55 114.94 121.78 1twf s ASN 83 Ca 0.45 -0.59 0.02 0.00 -0.71 0.00 0.00 52.86 52.02 1twf s ASN 83 Cb -0.00 -0.73 0.00 0.00 0.41 0.00 0.00 41.25 40.93 1twf s ASN 83 CO -0.06 0.09 -0.06 0.54 -1.51 0.00 0.00 177.10 176.10 1twf s VAL 84 N -1.78 0.51 0.05 1.60 0.11 -1.17 -2.90 120.40 116.82 1twf s VAL 84 Ca 0.26 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 1twf s VAL 84 Cb -0.08 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 1twf s VAL 84 CO 0.16 0.16 -0.06 0.72 -3.33 0.00 0.00 175.10 172.75 1twf s PHE 85 N 0.11 0.62 0.08 1.54 -0.12 -0.61 -1.19 117.98 118.39 1twf s PHE 85 Ca -0.01 -0.73 -0.17 0.00 -0.05 0.00 0.00 56.93 55.97 1twf s PHE 85 Cb -0.05 -0.39 0.03 0.00 -0.63 0.00 0.00 43.02 41.98 1twf s PHE 85 CO -0.00 -0.18 0.40 -0.59 -0.05 0.00 0.00 175.22 174.79 1twf s PHE 86 N -2.52 -0.22 0.84 3.49 -0.12 -0.62 -4.00 117.98 114.82 1twf s PHE 86 Ca -0.02 0.06 -0.14 0.00 -0.05 0.00 0.00 56.93 56.78 1twf s PHE 86 Cb -0.02 0.22 0.19 0.00 -0.63 0.00 0.00 43.02 42.78 1twf s PHE 86 CO -0.03 -0.62 1.11 0.94 -0.05 0.00 0.00 175.22 176.57 1twf n GLN 87 N 0.20 -1.18 -1.64 1.99 7.27 -1.26 -0.45 117.38 122.30 1twf n GLN 87 Ca -0.17 -1.72 -0.48 0.00 0.07 0.00 0.00 57.00 54.69 1twf n GLN 87 Cb 0.61 -1.17 -0.05 0.00 2.41 0.00 0.00 30.24 32.05 1twf n GLN 87 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1twf n SER 88 N -3.77 2.51 0.00 1.69 2.88 -1.25 -4.78 113.62 110.90 1twf n SER 88 Ca 0.14 1.10 0.12 0.00 -1.33 0.00 0.00 58.87 58.90 1twf n SER 88 Cb 0.49 -1.33 0.56 0.00 -0.75 0.00 0.00 64.21 63.17 1twf n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1twf n GLN 89 N 3.02 0.04 -1.40 -1.46 1.13 -1.11 -4.79 117.38 112.81 1twf n GLN 89 Ca 0.17 0.06 -0.29 0.00 -1.94 0.00 0.00 57.00 55.01 1twf n GLN 89 Cb 0.25 -1.50 0.15 0.00 0.11 0.00 0.00 30.24 29.25 1twf n GLN 89 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1twf s GLN 90 N -2.96 0.78 -0.43 -1.09 -0.21 -1.22 -4.80 119.66 109.73 1twf s GLN 90 Ca 0.14 0.33 0.10 0.00 0.02 0.00 0.00 55.36 55.95 1twf s GLN 90 Cb 0.17 -1.79 0.34 0.00 1.00 0.00 0.00 33.01 32.73 1twf s GLN 90 CO 0.46 -2.45 0.78 0.54 -2.12 0.00 0.00 175.29 172.50 1twf n ARG 91 N -3.95 1.60 -4.57 2.91 5.12 -1.26 -5.03 116.66 111.48 1twf n ARG 91 Ca 0.06 -3.80 -0.34 0.00 -1.93 0.00 0.00 57.85 51.85 1twf n ARG 91 Cb 0.59 -1.85 -0.11 0.00 -1.16 0.00 0.00 32.46 29.93 1twf n ARG 91 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1twf s ARG 92 N -2.68 2.73 0.37 5.56 0.52 -1.26 -5.01 118.95 119.19 1twf s ARG 92 Ca 0.42 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 55.11 1twf s ARG 92 Cb 0.32 -2.59 0.74 0.00 0.52 0.00 0.00 34.95 33.94 1twf s ARG 92 CO -0.10 0.66 2.02 0.87 0.02 0.00 0.00 175.30 178.77 1twf h LYS 93 N 5.09 0.71 -1.66 3.54 1.57 -2.04 -2.38 116.57 121.40 1twf h LYS 93 Ca -0.49 -0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 58.00 1twf h LYS 93 Cb 1.17 -0.16 -0.11 0.00 0.08 0.00 0.00 32.23 33.22 1twf h LYS 93 CO 0.53 0.47 0.30 -0.40 -0.57 0.00 0.00 179.45 179.78 1twf n ASP 94 N -4.46 6.19 -4.94 0.86 5.75 -1.26 -4.91 116.55 113.78 1twf n ASP 94 Ca 0.06 -2.91 -0.24 0.00 -0.01 0.00 0.00 54.79 51.69 1twf n ASP 94 Cb 0.09 -1.09 -0.02 0.00 -1.03 0.00 0.00 41.12 39.08 1twf n ASP 94 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1twf s THR 95 N -1.70 5.18 0.66 2.12 2.01 -0.90 -5.11 115.64 117.91 1twf s THR 95 Ca 0.25 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.72 1twf s THR 95 Cb 0.19 -3.82 0.12 0.00 0.01 0.00 0.00 72.50 69.01 1twf s THR 95 CO -0.01 -0.38 0.91 -1.54 -0.69 0.00 0.00 174.62 172.92 1twf n SER 96 N -1.33 1.64 -1.24 3.53 3.41 -1.26 -5.01 113.62 113.35 1twf n SER 96 Ca -0.06 -2.29 0.01 0.00 -0.26 0.00 0.00 58.87 56.27 1twf n SER 96 Cb 0.56 -0.55 0.25 0.00 -0.26 0.00 0.00 64.21 64.20 1twf n SER 96 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1twf n MET 97 N -2.60 2.73 -1.92 4.33 2.81 -1.26 -4.70 117.12 116.51 1twf n MET 97 Ca 0.16 -3.01 -0.40 0.00 -1.81 0.00 0.00 57.70 52.65 1twf n MET 97 Cb 0.59 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1twf n MET 97 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1twf s VAL 98 N -3.01 2.32 -0.01 2.03 0.11 -1.26 -4.95 120.40 115.63 1twf s VAL 98 Ca 0.46 0.30 -0.05 0.00 -2.93 0.00 0.00 61.98 59.76 1twf s VAL 98 Cb 0.39 -3.18 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 1twf s VAL 98 CO 0.07 0.05 0.22 -0.76 -3.33 0.00 0.00 175.10 171.35 1twf s LEU 99 N -2.45 4.37 -0.10 2.54 1.43 -1.26 -3.82 118.68 119.39 1twf s LEU 99 Ca 0.57 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 1twf s LEU 99 Cb -0.42 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 1twf s LEU 99 CO 0.54 0.28 -0.14 -0.36 0.23 0.00 0.00 176.35 176.90 1twf s PHE 100 N -1.27 2.76 0.22 0.29 0.40 0.40 -2.12 117.98 118.66 1twf s PHE 100 Ca 0.26 -0.50 0.08 0.00 -0.60 0.00 0.00 56.93 56.17 1twf s PHE 100 Cb -0.13 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 1twf s PHE 100 CO 0.15 -0.09 0.02 -0.06 0.70 0.00 0.00 175.22 175.95 1twf s PHE 101 N -0.01 2.83 -0.19 0.36 0.40 0.01 -1.59 117.98 119.79 1twf s PHE 101 Ca -0.04 -0.16 -0.04 0.00 -0.60 0.00 0.00 56.93 56.09 1twf s PHE 101 Cb -0.14 -1.32 0.06 0.00 0.51 0.00 0.00 43.02 42.13 1twf s PHE 101 CO 0.04 0.55 0.07 0.08 0.70 0.00 0.00 175.22 176.66 1twf s VAL 102 N -1.99 0.24 0.12 -0.44 1.01 -0.34 -2.19 120.40 116.82 1twf s VAL 102 Ca 0.29 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.53 1twf s VAL 102 Cb -0.08 -0.85 -0.10 0.00 0.00 0.00 0.00 36.38 35.35 1twf s VAL 102 CO 0.20 -0.29 1.65 0.00 0.00 0.00 0.00 175.10 176.67 1twf n LEU 104 N 4.88 0.44 -0.13 0.00 4.77 0.29 -0.25 117.00 127.00 1twf n LEU 104 Ca 0.15 -0.19 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 1twf n LEU 104 Cb 0.39 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.34 1twf n LEU 104 CO 0.63 0.10 -1.38 -1.20 -1.33 0.00 0.00 177.39 174.20 1twf n SER 105 N -0.44 1.96 0.00 -1.43 7.64 -1.26 -4.68 113.62 115.41 1twf n SER 105 Ca 0.12 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1twf n SER 105 Cb 0.12 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1twf n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1twf n SER 107 N -0.31 -3.91 -4.72 0.00 3.41 0.66 -4.95 113.62 103.80 1twf n SER 107 Ca 0.00 -0.85 -0.38 0.00 -0.26 0.00 0.00 58.87 57.38 1twf n SER 107 Cb 0.30 -3.57 -0.06 0.00 -0.26 0.00 0.00 64.21 60.62 1twf n SER 107 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1twf s HIS 108 N -3.36 3.51 -0.20 7.33 5.65 -1.24 -4.72 115.29 122.25 1twf s HIS 108 Ca 0.60 0.88 -0.18 0.00 0.25 0.00 0.00 55.06 56.60 1twf s HIS 108 Cb -0.31 -2.55 -0.03 0.00 -1.18 0.00 0.00 32.58 28.51 1twf s HIS 108 CO 0.86 0.16 0.51 0.42 -0.65 0.00 0.00 174.74 176.03 1twf s ILE 109 N 0.66 5.11 -0.01 0.89 1.01 -1.26 -1.40 121.20 126.21 1twf s ILE 109 Ca 0.26 0.93 0.02 0.00 0.00 0.00 0.00 60.65 61.86 1twf s ILE 109 Cb -0.15 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 38.48 1twf s ILE 109 CO 0.10 0.18 -0.07 0.72 0.00 0.00 0.00 174.94 175.87 1twf s PHE 110 N 1.65 0.67 0.31 3.97 -0.12 -0.93 -4.95 117.98 118.58 1twf s PHE 110 Ca 0.23 -0.13 0.06 0.00 -0.05 0.00 0.00 56.93 57.05 1twf s PHE 110 Cb -0.15 -0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 41.78 1twf s PHE 110 CO 0.09 -0.02 0.41 0.99 -0.05 0.00 0.00 175.22 176.65 1twf s THR 111 N -0.12 4.32 -1.62 -4.49 2.01 -1.26 -0.81 115.64 113.67 1twf s THR 111 Ca 0.02 -1.05 0.17 0.00 0.31 0.00 0.00 61.69 61.14 1twf s THR 111 Cb -0.03 -3.49 0.43 0.00 0.01 0.00 0.00 72.50 69.42 1twf s THR 111 CO -0.00 -0.21 1.35 -1.54 -0.69 0.00 0.00 174.62 173.53 1twf n SER 112 N -1.54 3.33 -4.57 3.53 3.41 -0.90 -4.90 113.62 111.98 1twf n SER 112 Ca -0.03 -1.96 -0.41 0.00 -0.26 0.00 0.00 58.87 56.22 1twf n SER 112 Cb 0.58 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 1twf n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1twf s ASP 113 N -1.08 5.80 0.00 4.04 2.15 -1.26 -4.84 116.67 121.48 1twf s ASP 113 Ca 0.35 0.38 0.02 0.00 0.43 0.00 0.00 52.55 53.73 1twf s ASP 113 Cb 0.19 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 40.36 1twf s ASP 113 CO 0.25 -1.96 1.04 0.00 -0.17 0.00 0.00 175.17 174.33 1twf n GLN 114 N 8.87 0.00 -1.31 4.34 6.02 -1.26 -0.41 117.38 133.64 1twf n GLN 114 Ca 0.16 0.44 -0.22 0.00 -0.01 0.00 0.00 57.00 57.36 1twf n GLN 114 Cb 0.50 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.38 1twf n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1twf n LYS 115 N -1.47 2.56 -1.59 -1.09 5.02 -1.26 -5.03 118.16 115.30 1twf n LYS 115 Ca 0.01 -3.39 -0.52 0.00 -2.02 0.00 0.00 58.31 52.39 1twf n LYS 115 Cb 0.02 -2.14 -0.06 0.00 -0.02 0.00 0.00 35.03 32.84 1twf n LYS 115 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1twf n ASN 116 N -0.98 1.71 0.00 4.39 4.05 0.46 -4.88 115.26 120.00 1twf n ASN 116 Ca 0.51 1.12 0.00 0.00 0.45 0.00 0.00 54.58 56.65 1twf n ASN 116 Cb 1.02 -1.20 0.00 0.00 1.23 0.00 0.00 39.78 40.83 1twf n ASN 116 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1twf n LYS 117 N 2.56 1.37 -4.06 1.20 5.02 -1.26 -5.09 118.16 117.90 1twf n LYS 117 Ca 0.18 -0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 56.12 1twf n LYS 117 Cb 0.19 -0.26 -0.06 0.00 -0.02 0.00 0.00 35.03 34.88 1twf n LYS 117 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1twf s ARG 118 N -0.21 3.02 -0.05 1.97 1.81 -1.26 -5.04 118.95 119.19 1twf s ARG 118 Ca 0.00 -0.57 0.04 0.00 -1.72 0.00 0.00 55.73 53.48 1twf s ARG 118 Cb 0.00 -2.82 -0.25 0.00 -0.45 0.00 0.00 34.95 31.44 1twf s ARG 118 CO 0.00 0.61 0.63 1.15 -0.68 0.00 0.00 175.30 177.00 1twf h THR 119 N 2.81 0.85 0.00 0.02 2.02 -2.04 -3.42 112.91 113.15 1twf h THR 119 Ca -0.48 -2.63 0.00 0.00 0.77 0.00 0.00 66.41 64.07 1twf h THR 119 Cb 1.17 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 1twf h THR 119 CO 0.65 0.68 -0.92 0.00 0.37 0.00 0.00 175.52 176.30 1twf n GLN 120 N -3.25 0.47 -0.64 6.66 6.02 -1.26 -5.00 117.38 120.38 1twf n GLN 120 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 1twf n GLN 120 Cb 1.05 -0.96 0.00 0.00 1.02 0.00 0.00 30.24 31.34 1twf n GLN 120 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1twf n PHE 121 N -1.38 0.00 1.83 1.08 0.99 -1.26 -5.06 117.46 113.66 1twf n PHE 121 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.60 1twf n PHE 121 Cb 0.00 -0.89 0.87 0.00 -1.00 0.00 0.00 39.48 38.46 1twf n PHE 121 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63