#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twm n PRO 2 N 0.00 -0.08 -4.29 0.00 -0.02 -1.26 -3.29 135.00 126.05 1twm n PRO 2 Ca 0.00 0.51 -0.34 0.00 -2.02 0.00 0.00 63.50 61.65 1twm n PRO 2 Cb 0.00 -0.76 -0.13 0.00 -0.02 0.00 0.00 33.50 32.58 1twm n PRO 2 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1twm s VAL 3 N -4.00 3.47 0.10 -1.45 0.11 -1.26 -4.82 120.40 112.56 1twm s VAL 3 Ca -0.02 -0.49 -0.19 0.00 -2.93 0.00 0.00 61.98 58.35 1twm s VAL 3 Cb 0.02 -2.53 -0.07 0.00 -1.53 0.00 0.00 36.38 32.27 1twm s VAL 3 CO 0.12 0.47 0.60 -0.13 -3.33 0.00 0.00 175.10 172.83 1twm s ARG 4 N 0.84 4.22 0.14 1.54 0.52 -1.21 -4.98 118.95 120.03 1twm s ARG 4 Ca -0.02 0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 55.95 1twm s ARG 4 Cb -0.15 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 1twm s ARG 4 CO 0.01 0.59 0.08 -1.12 0.02 0.00 0.00 175.30 174.88 1twm s SER 5 N -1.23 0.28 -0.14 0.23 0.01 -1.26 -1.61 113.70 109.98 1twm s SER 5 Ca 0.32 -1.22 -0.16 0.00 1.31 0.00 0.00 55.95 56.21 1twm s SER 5 Cb -0.19 0.31 0.04 0.00 0.21 0.00 0.00 66.02 66.39 1twm s SER 5 CO 0.20 -0.75 0.43 -1.48 0.41 0.00 0.00 173.24 172.04 1twm s LEU 6 N -3.06 0.38 0.18 2.44 0.05 -0.73 -4.97 118.68 112.97 1twm s LEU 6 Ca 0.26 0.77 -0.19 0.00 0.05 0.00 0.00 54.13 55.02 1twm s LEU 6 Cb 0.07 1.49 -0.08 0.00 -2.05 0.00 0.00 46.19 45.63 1twm s LEU 6 CO 0.03 -0.20 0.66 0.20 -0.55 0.00 0.00 176.35 176.49 1twm s ASN 7 N -0.00 7.02 0.18 1.48 0.01 -1.26 -1.02 114.94 121.35 1twm s ASN 7 Ca -0.02 1.32 -0.24 0.00 -0.71 0.00 0.00 52.86 53.22 1twm s ASN 7 Cb -0.03 -2.38 0.05 0.00 0.41 0.00 0.00 41.25 39.30 1twm s ASN 7 CO 0.01 0.09 0.78 0.00 -1.51 0.00 0.00 177.10 176.47 1twm s THR 9 N -3.61 2.28 0.11 0.00 -4.23 -0.42 0.11 115.64 109.87 1twm s THR 9 Ca 0.08 -2.29 0.07 0.00 -1.18 0.00 0.00 61.69 58.38 1twm s THR 9 Cb -0.03 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1twm s THR 9 CO -0.01 -0.40 -0.18 -0.76 -0.54 0.00 0.00 174.62 172.73 1twm s LEU 10 N -3.31 2.33 -0.04 4.79 1.43 -1.26 -1.66 118.68 120.96 1twm s LEU 10 Ca 0.26 -0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1twm s LEU 10 Cb -0.05 -0.77 0.03 0.00 0.03 0.00 0.00 46.19 45.44 1twm s LEU 10 CO 0.12 -0.00 0.08 -0.13 0.23 0.00 0.00 176.35 176.65 1twm s ARG 11 N -2.10 0.02 1.14 1.70 0.52 -0.98 -4.16 118.95 115.09 1twm s ARG 11 Ca 0.07 0.29 -0.16 0.00 -0.52 0.00 0.00 55.73 55.40 1twm s ARG 11 Cb -0.09 -0.23 0.26 0.00 0.52 0.00 0.00 34.95 35.41 1twm s ARG 11 CO 0.04 -0.18 1.07 0.16 0.02 0.00 0.00 175.30 176.41 1twm s ASP 12 N 1.22 1.36 0.00 0.23 1.47 -0.86 -1.43 116.67 118.66 1twm s ASP 12 Ca -0.08 0.98 0.10 0.00 1.18 0.00 0.00 52.55 54.73 1twm s ASP 12 Cb -0.12 -1.48 0.51 0.00 -0.34 0.00 0.00 42.92 41.48 1twm s ASP 12 CO -0.04 -3.89 1.26 -1.54 0.68 0.00 0.00 175.17 171.63 1twm n SER 13 N -4.65 0.00 -1.44 2.11 3.41 -0.61 -1.00 113.62 111.44 1twm n SER 13 Ca 0.08 0.24 0.09 0.00 -0.26 0.00 0.00 58.87 59.02 1twm n SER 13 Cb 0.58 -0.35 0.33 0.00 -0.26 0.00 0.00 64.21 64.52 1twm n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1twm n GLN 14 N -1.35 3.59 -1.96 4.33 1.13 -1.26 -4.94 117.38 116.92 1twm n GLN 14 Ca 0.04 -2.81 -0.15 0.00 -1.94 0.00 0.00 57.00 52.14 1twm n GLN 14 Cb 0.09 -1.83 -0.03 0.00 0.11 0.00 0.00 30.24 28.59 1twm n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1twm n GLN 15 N 0.94 -1.12 -3.26 -1.09 1.13 -0.17 -5.00 117.38 108.81 1twm n GLN 15 Ca 0.24 0.83 -0.37 0.00 -1.94 0.00 0.00 57.00 55.76 1twm n GLN 15 Cb 0.85 -5.08 -0.06 0.00 0.11 0.00 0.00 30.24 26.06 1twm n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1twm s LYS 16 N -4.18 4.15 0.32 -1.09 1.02 -1.26 -4.60 119.74 114.10 1twm s LYS 16 Ca 0.00 0.69 0.02 0.00 0.02 0.00 0.00 55.97 56.71 1twm s LYS 16 Cb 0.00 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 1twm s LYS 16 CO 0.00 0.53 0.49 -1.12 -0.92 0.00 0.00 175.35 174.33 1twm s SER 17 N -1.44 6.24 -0.13 2.83 0.01 0.43 -2.03 113.70 119.61 1twm s SER 17 Ca 0.35 0.26 -0.04 0.00 1.31 0.00 0.00 55.95 57.83 1twm s SER 17 Cb -0.17 -1.87 -0.03 0.00 0.21 0.00 0.00 66.02 64.15 1twm s SER 17 CO 0.20 -0.26 0.02 -0.76 0.41 0.00 0.00 173.24 172.84 1twm s LEU 18 N -4.21 3.61 0.10 2.44 1.43 -1.26 -1.08 118.68 119.71 1twm s LEU 18 Ca 0.39 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 1twm s LEU 18 Cb -0.09 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1twm s LEU 18 CO 0.33 0.27 -0.03 0.68 0.23 0.00 0.00 176.35 177.84 1twm s VAL 19 N -0.24 0.50 -0.12 -1.59 -7.23 -0.04 -0.74 120.40 110.94 1twm s VAL 19 Ca 0.06 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 1twm s VAL 19 Cb -0.12 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 1twm s VAL 19 CO 0.02 -0.79 1.19 -0.04 -0.31 0.00 0.00 175.10 175.17 1twm s MET 20 N -3.90 4.31 0.00 4.82 -1.94 -1.26 -0.46 119.30 120.87 1twm s MET 20 Ca 0.14 1.61 0.00 0.00 -1.71 0.00 0.00 55.69 55.73 1twm s MET 20 Cb 0.06 -3.64 0.00 0.00 2.01 0.00 0.00 34.83 33.27 1twm s MET 20 CO -0.04 -0.54 0.00 0.45 -0.01 0.00 0.00 175.02 174.88 1twm n SER 21 N 5.78 0.00 0.00 3.03 2.88 0.98 -4.86 113.62 121.43 1twm n SER 21 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1twm n SER 21 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1twm n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1twm n GLY 22 N 2.77 2.03 0.19 0.46 0.00 -1.24 -4.96 105.19 104.44 1twm n GLY 22 Ca 0.00 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.25 1twm n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1twm h PRO 23 N 0.00 0.00 -0.13 1.61 0.13 -2.03 -3.35 132.00 128.22 1twm h PRO 23 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 1twm h PRO 23 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 1twm h PRO 23 CO 0.00 0.01 -0.78 0.66 -0.23 0.00 0.00 178.00 177.66 1twm n TYR 24 N -2.99 0.46 -3.78 1.56 4.01 -1.26 -5.01 117.16 110.14 1twm n TYR 24 Ca 0.03 -1.31 -0.13 0.00 -0.16 0.00 0.00 57.90 56.33 1twm n TYR 24 Cb 0.54 -0.23 -0.09 0.00 -0.31 0.00 0.00 39.34 39.25 1twm n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1twm s GLU 25 N -2.26 0.58 0.06 -0.72 2.12 -1.26 -3.82 118.70 113.40 1twm s GLU 25 Ca 0.37 -0.11 0.08 0.00 0.36 0.00 0.00 54.97 55.67 1twm s GLU 25 Cb 0.38 0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.99 1twm s GLU 25 CO -0.09 -0.14 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.79 1twm s LEU 26 N -1.05 2.61 0.14 2.70 1.43 -1.26 -0.01 118.68 123.24 1twm s LEU 26 Ca -0.11 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.59 1twm s LEU 26 Cb -0.05 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1twm s LEU 26 CO 0.03 0.24 -0.14 -0.54 0.23 0.00 0.00 176.35 176.16 1twm s LYS 27 N -1.60 1.11 -0.07 1.70 1.02 0.40 -0.30 119.74 122.00 1twm s LYS 27 Ca 0.15 -1.33 0.05 0.00 0.02 0.00 0.00 55.97 54.86 1twm s LYS 27 Cb -0.10 -0.98 -0.01 0.00 -0.52 0.00 0.00 37.83 36.22 1twm s LYS 27 CO 0.06 0.18 -0.24 0.00 -0.92 0.00 0.00 175.35 174.43 1twm s ALA 28 N -2.35 2.19 0.07 5.17 0.00 -0.72 -0.86 121.76 125.27 1twm s ALA 28 Ca 0.13 -1.02 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 1twm s ALA 28 Cb -0.04 -0.74 0.05 0.00 0.00 0.00 0.00 23.12 22.39 1twm s ALA 28 CO 0.04 0.38 0.48 -0.48 0.00 0.00 0.00 175.76 176.17 1twm s LEU 29 N -0.01 0.09 -0.37 0.00 0.05 -0.24 -1.76 118.68 116.45 1twm s LEU 29 Ca -0.08 0.02 -0.29 0.00 0.05 0.00 0.00 54.13 53.83 1twm s LEU 29 Cb -0.15 2.01 -0.00 0.00 -2.05 0.00 0.00 46.19 46.00 1twm s LEU 29 CO 0.05 -0.75 1.54 -1.00 -0.55 0.00 0.00 176.35 175.64 1twm s HIS 30 N -2.83 2.21 0.15 3.48 3.76 -1.26 -0.43 115.29 120.37 1twm s HIS 30 Ca -0.03 0.65 0.10 0.00 -0.15 0.00 0.00 55.06 55.63 1twm s HIS 30 Cb -0.00 -4.21 -0.04 0.00 1.11 0.00 0.00 32.58 29.43 1twm s HIS 30 CO -0.05 -2.35 -0.19 -1.17 -0.85 0.00 0.00 174.74 170.14 1twm s LEU 31 N 5.81 2.66 -0.03 0.89 2.96 -1.26 -4.96 118.68 124.75 1twm s LEU 31 Ca 0.68 -0.65 -0.30 0.00 -0.22 0.00 0.00 54.13 53.64 1twm s LEU 31 Cb -0.17 -1.45 0.08 0.00 0.50 0.00 0.00 46.19 45.14 1twm s LEU 31 CO 0.32 0.15 0.71 -1.58 -1.32 0.00 0.00 176.35 174.63 1twm s GLN 32 N -2.39 1.04 7.02 1.98 0.74 -1.26 -4.89 119.66 121.89 1twm s GLN 32 Ca 0.20 0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.73 1twm s GLN 32 Cb -0.10 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.50 1twm s GLN 32 CO 0.11 -0.35 0.00 0.41 -0.55 0.00 0.00 175.29 174.91 1twm n GLY 33 N 0.67 2.18 0.19 2.59 0.00 -1.26 -3.49 105.19 106.07 1twm n GLY 33 Ca -0.18 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 1twm n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1twm h GLN 34 N 0.00 0.53 0.00 1.61 -0.00 -2.05 -2.01 115.11 113.19 1twm h GLN 34 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1twm h GLN 34 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 27.36 1twm h GLN 34 CO 0.00 0.35 0.04 -0.44 -0.00 0.00 0.00 178.83 178.78 1twm h ASP 35 N 0.54 0.00 -0.70 0.06 3.32 -1.99 -2.66 116.42 115.00 1twm h ASP 35 Ca 0.19 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.44 1twm h ASP 35 Cb 0.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1twm h ASP 35 CO -0.09 0.00 0.60 -0.03 -1.72 0.00 0.00 179.24 178.00 1twm h MET 36 N 0.00 0.00 0.00 3.56 4.05 -1.51 0.25 114.93 121.28 1twm h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1twm h MET 36 Cb 0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1twm h MET 36 CO 0.00 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.53 1twm n GLU 37 N -3.96 0.46 0.22 0.39 4.71 -1.00 -2.78 120.64 118.67 1twm n GLU 37 Ca 0.14 0.03 0.11 0.00 -0.01 0.00 0.00 57.16 57.43 1twm n GLU 37 Cb 0.86 -1.50 0.24 0.00 -1.01 0.00 0.00 31.44 30.03 1twm n GLU 37 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1twm h GLN 38 N 0.00 0.00 -6.98 3.49 4.20 -0.74 -3.46 115.11 111.62 1twm h GLN 38 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 1twm h GLN 38 Cb 0.20 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.12 1twm h GLN 38 CO 0.00 0.10 0.58 0.00 -0.67 0.00 0.00 178.83 178.84 1twm n GLN 39 N -3.14 1.81 -2.52 1.46 10.64 -1.12 -4.55 117.38 119.96 1twm n GLN 39 Ca 0.03 0.66 -0.40 0.00 -1.83 0.00 0.00 57.00 55.45 1twm n GLN 39 Cb 0.52 -2.53 -0.04 0.00 -0.86 0.00 0.00 30.24 27.33 1twm n GLN 39 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1twm s VAL 40 N -1.26 3.66 -0.21 -0.39 1.01 0.08 -4.97 120.40 118.31 1twm s VAL 40 Ca 0.68 1.60 -0.06 0.00 0.00 0.00 0.00 61.98 64.20 1twm s VAL 40 Cb -0.44 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 1twm s VAL 40 CO 0.52 0.36 0.03 -0.69 0.00 0.00 0.00 175.10 175.32 1twm s VAL 41 N -0.92 4.21 0.18 2.92 1.01 -1.26 -4.64 120.40 121.89 1twm s VAL 41 Ca 0.45 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1twm s VAL 41 Cb -0.31 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1twm s VAL 41 CO 0.38 0.42 0.35 -0.36 0.00 0.00 0.00 175.10 175.89 1twm s PHE 42 N 0.98 3.48 -0.38 5.22 0.08 0.12 -1.17 117.98 126.32 1twm s PHE 42 Ca 0.03 0.27 -0.01 0.00 0.12 0.00 0.00 56.93 57.33 1twm s PHE 42 Cb -0.14 -1.79 0.10 0.00 -0.57 0.00 0.00 43.02 40.62 1twm s PHE 42 CO 0.02 0.43 0.14 0.45 -0.10 0.00 0.00 175.22 176.16 1twm s SER 43 N -3.17 5.10 -0.23 1.36 0.15 0.75 -0.95 113.70 116.72 1twm s SER 43 Ca 0.37 -1.97 -0.23 0.00 0.70 0.00 0.00 55.95 54.82 1twm s SER 43 Cb -0.11 -1.77 -0.01 0.00 -1.71 0.00 0.00 66.02 62.42 1twm s SER 43 CO 0.29 -0.47 0.77 -0.32 1.20 0.00 0.00 173.24 174.71 1twm s MET 44 N 1.10 4.19 -0.10 5.44 1.75 -0.19 -2.33 119.30 129.16 1twm s MET 44 Ca 0.07 0.85 -0.03 0.00 -1.25 0.00 0.00 55.69 55.33 1twm s MET 44 Cb -0.22 -3.63 -0.03 0.00 2.84 0.00 0.00 34.83 33.79 1twm s MET 44 CO -0.05 -0.44 0.02 -1.12 -0.65 0.00 0.00 175.02 172.78 1twm s SER 45 N 1.32 5.34 -0.60 1.11 0.01 -0.41 -1.77 113.70 118.70 1twm s SER 45 Ca 0.33 0.15 -0.18 0.00 1.31 0.00 0.00 55.95 57.56 1twm s SER 45 Cb -0.16 -1.59 0.12 0.00 0.21 0.00 0.00 66.02 64.60 1twm s SER 45 CO 0.09 0.35 0.67 -0.36 0.41 0.00 0.00 173.24 174.39 1twm s PHE 46 N -0.68 3.09 0.67 2.43 0.40 -0.63 -1.12 117.98 122.13 1twm s PHE 46 Ca 0.11 -1.10 0.03 0.00 -0.60 0.00 0.00 56.93 55.37 1twm s PHE 46 Cb -0.12 -3.97 0.12 0.00 0.51 0.00 0.00 43.02 39.56 1twm s PHE 46 CO 0.02 -1.22 0.92 0.14 0.70 0.00 0.00 175.22 175.78 1twm s VAL 47 N 2.31 2.12 0.39 -0.44 -7.23 -1.18 -4.48 120.40 111.90 1twm s VAL 47 Ca 0.10 -0.75 -0.23 0.00 -1.81 0.00 0.00 61.98 59.30 1twm s VAL 47 Cb -0.24 -2.37 -0.11 0.00 0.56 0.00 0.00 36.38 34.22 1twm s VAL 47 CO 0.04 0.00 0.95 -1.10 -0.31 0.00 0.00 175.10 174.68 1twm s GLN 48 N -4.97 4.35 0.00 4.82 -1.52 -0.11 -4.74 119.66 117.49 1twm s GLN 48 Ca 0.65 1.20 0.00 0.00 -1.95 0.00 0.00 55.36 55.26 1twm s GLN 48 Cb -0.05 -2.40 0.00 0.00 -0.22 0.00 0.00 33.01 30.33 1twm s GLN 48 CO 0.42 0.08 0.00 0.41 -0.25 0.00 0.00 175.29 175.95 1twm n GLY 49 N -0.20 0.82 3.63 3.09 0.00 -1.26 -4.84 105.19 106.42 1twm n GLY 49 Ca 0.05 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1twm n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1twm s GLU 50 N -1.98 3.64 0.19 1.61 -6.30 -1.26 -4.91 118.70 109.69 1twm s GLU 50 Ca 0.00 2.33 0.08 0.00 -2.50 0.00 0.00 54.97 54.88 1twm s GLU 50 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 34.13 29.82 1twm s GLU 50 CO 0.00 -1.53 0.02 -2.00 0.02 0.00 0.00 175.26 171.76 1twm s GLU 51 N 5.41 2.44 0.21 4.30 2.12 -1.26 -4.58 118.70 127.34 1twm s GLU 51 Ca 0.95 -1.15 -0.07 0.00 0.36 0.00 0.00 54.97 55.06 1twm s GLU 51 Cb -0.38 -2.35 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 1twm s GLU 51 CO 0.38 0.44 0.29 0.45 -0.54 0.00 0.00 175.26 176.28 1twm s SER 52 N -3.13 0.04 0.37 -1.70 0.15 0.02 -4.99 113.70 104.46 1twm s SER 52 Ca 0.29 -1.14 0.27 0.00 0.70 0.00 0.00 55.95 56.06 1twm s SER 52 Cb -0.09 0.47 1.14 0.00 -1.71 0.00 0.00 66.02 65.83 1twm s SER 52 CO 0.19 -0.97 1.81 -0.55 1.20 0.00 0.00 173.24 174.93 1twm h ASN 53 N 2.47 0.00 0.00 5.45 7.08 -2.01 -3.15 115.58 125.42 1twm h ASN 53 Ca -0.31 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.91 1twm h ASN 53 Cb 1.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.49 1twm h ASN 53 CO 0.45 0.00 0.00 -0.90 -2.08 0.00 0.00 177.43 174.90 1twm n ASP 54 N -2.54 0.69 -3.82 6.14 5.75 -1.26 -4.97 116.55 116.54 1twm n ASP 54 Ca 0.01 -1.07 -0.29 0.00 -0.01 0.00 0.00 54.79 53.43 1twm n ASP 54 Cb 0.25 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.18 1twm n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1twm s LYS 55 N -0.07 1.03 -0.16 0.11 2.20 -1.19 -2.26 119.74 119.40 1twm s LYS 55 Ca 0.00 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 54.69 1twm s LYS 55 Cb 0.00 -2.30 -0.00 0.00 -1.51 0.00 0.00 37.83 34.02 1twm s LYS 55 CO 0.00 -0.77 -0.16 0.42 -0.36 0.00 0.00 175.35 174.49 1twm s ILE 56 N 1.56 2.62 0.04 5.43 -1.09 -0.21 -0.80 121.20 128.75 1twm s ILE 56 Ca 0.02 -0.78 -0.30 0.00 -2.23 0.00 0.00 60.65 57.35 1twm s ILE 56 Cb -0.18 -2.10 -0.05 0.00 -1.58 0.00 0.00 42.46 38.55 1twm s ILE 56 CO -0.13 0.52 1.18 -2.16 -1.23 0.00 0.00 174.94 173.11 1twm s PRO 57 N 0.86 4.44 0.12 2.79 0.04 -1.26 0.81 135.00 142.79 1twm s PRO 57 Ca -0.05 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 1twm s PRO 57 Cb -0.15 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 1twm s PRO 57 CO -0.01 -0.26 0.04 0.14 0.04 0.00 0.00 177.00 176.95 1twm s VAL 58 N 1.18 0.15 0.04 -0.36 -7.23 0.99 -3.09 120.40 112.08 1twm s VAL 58 Ca 0.58 -1.90 0.09 0.00 -1.81 0.00 0.00 61.98 58.94 1twm s VAL 58 Cb -0.28 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1twm s VAL 58 CO 0.28 -0.56 -0.26 0.00 -0.31 0.00 0.00 175.10 174.25 1twm s ALA 59 N -4.01 2.22 -0.29 1.32 0.00 -0.28 -0.64 121.76 120.08 1twm s ALA 59 Ca 0.21 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1twm s ALA 59 Cb 0.08 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.78 1twm s ALA 59 CO -0.00 0.53 -0.04 -0.51 0.00 0.00 0.00 175.76 175.74 1twm s LEU 60 N -1.14 3.85 0.32 0.00 1.43 -1.26 -1.29 118.68 120.58 1twm s LEU 60 Ca 0.11 -1.47 0.09 0.00 -1.03 0.00 0.00 54.13 51.83 1twm s LEU 60 Cb -0.10 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 1twm s LEU 60 CO 0.02 -0.25 0.07 -0.83 0.23 0.00 0.00 176.35 175.58 1twm s GLY 61 N 1.17 1.89 -0.02 -3.19 0.00 -0.98 -1.35 107.32 104.83 1twm s GLY 61 Ca -0.05 -1.81 -0.22 0.00 0.00 0.00 0.00 44.72 42.64 1twm s GLY 61 CO -0.04 -1.78 0.67 1.08 0.00 0.00 0.00 173.10 173.03 1twm s LEU 62 N -3.76 4.38 0.04 0.66 1.02 -0.43 -0.18 118.68 120.41 1twm s LEU 62 Ca 0.35 1.22 -0.36 0.00 0.02 0.00 0.00 54.13 55.36 1twm s LEU 62 Cb -0.03 -3.04 -0.15 0.00 0.02 0.00 0.00 46.19 42.99 1twm s LEU 62 CO 0.21 -0.00 1.57 1.17 0.02 0.00 0.00 176.35 179.31 1twm n LYS 63 N 3.19 1.71 -1.17 1.70 4.81 -0.31 -1.65 118.16 126.44 1twm n LYS 63 Ca -0.04 0.62 -0.06 0.00 -0.87 0.00 0.00 58.31 57.96 1twm n LYS 63 Cb 0.51 -2.35 -0.02 0.00 0.02 0.00 0.00 35.03 33.19 1twm n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1twm n GLU 64 N 3.87 -1.43 -4.65 1.64 1.02 -1.26 -4.98 120.64 114.85 1twm n GLU 64 Ca 0.19 0.63 -0.24 0.00 -0.02 0.00 0.00 57.16 57.73 1twm n GLU 64 Cb 0.24 -4.82 -0.16 0.00 -0.02 0.00 0.00 31.44 26.68 1twm n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1twm s LYS 65 N -2.21 1.42 -1.61 3.49 1.02 -0.66 -5.03 119.74 116.16 1twm s LYS 65 Ca 0.00 -0.48 -0.10 0.00 0.02 0.00 0.00 55.97 55.41 1twm s LYS 65 Cb 0.00 -1.27 -0.09 0.00 -0.52 0.00 0.00 37.83 35.96 1twm s LYS 65 CO 0.00 0.20 2.94 0.27 -0.92 0.00 0.00 175.35 177.83 1twm n ASN 66 N 3.18 8.63 -3.97 2.83 2.04 -1.26 -4.22 115.26 122.48 1twm n ASN 66 Ca -0.18 -2.57 -0.22 0.00 -0.44 0.00 0.00 54.58 51.18 1twm n ASN 66 Cb 0.54 -1.55 -0.16 0.00 -2.53 0.00 0.00 39.78 36.08 1twm n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1twm s LEU 67 N 0.19 1.58 0.05 -4.53 1.43 -1.26 -2.22 118.68 113.92 1twm s LEU 67 Ca 0.69 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 1twm s LEU 67 Cb 0.18 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.75 1twm s LEU 67 CO -0.06 0.01 -0.12 -0.31 0.23 0.00 0.00 176.35 176.10 1twm s TYR 68 N 0.61 1.06 0.23 0.29 2.02 -0.31 -1.32 117.35 119.93 1twm s TYR 68 Ca -0.10 -0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 55.88 1twm s TYR 68 Cb -0.13 -0.61 -0.09 0.00 -0.40 0.00 0.00 41.96 40.73 1twm s TYR 68 CO 0.02 0.02 1.14 -0.51 -1.57 0.00 0.00 175.55 174.64 1twm s LEU 69 N -1.43 4.50 0.02 -1.29 1.43 -0.46 -0.25 118.68 121.21 1twm s LEU 69 Ca -0.02 2.23 -0.00 0.00 -1.03 0.00 0.00 54.13 55.30 1twm s LEU 69 Cb -0.09 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 1twm s LEU 69 CO 0.01 -0.24 -0.02 -0.55 0.23 0.00 0.00 176.35 175.78 1twm s SER 70 N -0.38 0.22 -0.22 2.29 0.15 0.98 -4.56 113.70 112.17 1twm s SER 70 Ca 0.48 -0.46 -0.02 0.00 0.70 0.00 0.00 55.95 56.65 1twm s SER 70 Cb -0.32 0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1twm s SER 70 CO 0.39 -0.29 -0.08 0.00 1.20 0.00 0.00 173.24 174.46 1twm s VAL 72 N 1.40 0.46 -0.20 0.00 -7.23 -0.28 -4.68 120.40 109.87 1twm s VAL 72 Ca 0.04 -1.92 -0.24 0.00 -1.81 0.00 0.00 61.98 58.05 1twm s VAL 72 Cb -0.14 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 34.92 1twm s VAL 72 CO -0.06 -0.69 0.80 -0.76 -0.31 0.00 0.00 175.10 174.08 1twm s LEU 73 N -3.06 4.14 -0.23 1.32 1.43 -1.26 0.14 118.68 121.15 1twm s LEU 73 Ca 0.17 1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 54.33 1twm s LEU 73 Cb 0.07 -3.17 0.07 0.00 0.03 0.00 0.00 46.19 43.19 1twm s LEU 73 CO -0.02 -0.42 0.02 -0.75 0.23 0.00 0.00 176.35 175.41 1twm s LYS 74 N 2.37 0.92 -0.65 1.70 2.20 -0.69 -4.75 119.74 120.85 1twm s LYS 74 Ca 0.36 -0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 55.22 1twm s LYS 74 Cb -0.16 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1twm s LYS 74 CO 0.10 -0.70 0.56 -3.47 -0.36 0.00 0.00 175.35 171.48 1twm n ASP 75 N 4.90 -3.58 -2.13 1.43 2.03 -1.26 -3.32 116.55 114.62 1twm n ASP 75 Ca -0.08 -0.28 -0.19 0.00 0.52 0.00 0.00 54.79 54.76 1twm n ASP 75 Cb 0.45 -2.75 -0.01 0.00 -0.72 0.00 0.00 41.12 38.10 1twm n ASP 75 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1twm n ASP 76 N -1.09 -5.41 -3.76 1.67 8.00 -1.26 -5.00 116.55 109.70 1twm n ASP 76 Ca -0.04 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 1twm n ASP 76 Cb 0.54 -4.47 -0.12 0.00 -0.02 0.00 0.00 41.12 37.05 1twm n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1twm s LYS 77 N -4.92 0.25 0.13 -1.24 2.20 -1.21 -5.12 119.74 109.83 1twm s LYS 77 Ca 0.00 0.42 -0.35 0.00 -0.36 0.00 0.00 55.97 55.69 1twm s LYS 77 Cb 0.00 0.02 -0.14 0.00 -1.51 0.00 0.00 37.83 36.20 1twm s LYS 77 CO 0.00 -0.09 1.54 -2.30 -0.36 0.00 0.00 175.35 174.14 1twm n PRO 78 N 3.51 1.91 -4.05 4.03 -0.02 -1.26 -1.70 135.00 137.42 1twm n PRO 78 Ca -0.18 0.69 -0.14 0.00 -2.02 0.00 0.00 63.50 61.85 1twm n PRO 78 Cb 0.56 -2.43 -0.13 0.00 -0.02 0.00 0.00 33.50 31.47 1twm n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1twm s THR 79 N 0.95 0.31 0.01 3.45 2.01 0.12 -4.83 115.64 117.65 1twm s THR 79 Ca 0.81 -0.40 -0.14 0.00 0.31 0.00 0.00 61.69 62.27 1twm s THR 79 Cb -0.75 -0.31 -0.06 0.00 0.01 0.00 0.00 72.50 71.40 1twm s THR 79 CO 0.41 -0.06 0.40 -0.22 -0.69 0.00 0.00 174.62 174.45 1twm s LEU 80 N -0.50 4.46 0.16 4.42 2.96 -1.26 -1.13 118.68 127.79 1twm s LEU 80 Ca -0.02 0.93 -0.17 0.00 -0.22 0.00 0.00 54.13 54.65 1twm s LEU 80 Cb -0.04 -2.61 0.03 0.00 0.50 0.00 0.00 46.19 44.07 1twm s LEU 80 CO -0.00 0.31 0.46 0.00 -1.32 0.00 0.00 176.35 175.80 1twm s GLN 81 N -1.17 1.21 -0.21 1.98 -2.07 -0.04 -4.91 119.66 114.44 1twm s GLN 81 Ca 0.24 -0.76 -0.13 0.00 -1.82 0.00 0.00 55.36 52.90 1twm s GLN 81 Cb -0.16 0.50 -0.05 0.00 -1.09 0.00 0.00 33.01 32.21 1twm s GLN 81 CO 0.14 -0.49 0.26 -0.51 -1.32 0.00 0.00 175.29 173.37 1twm s LEU 82 N -2.83 4.15 -0.04 2.60 2.01 -1.25 -0.02 118.68 123.31 1twm s LEU 82 Ca 0.06 0.32 0.07 0.00 0.01 0.00 0.00 54.13 54.58 1twm s LEU 82 Cb 0.01 -2.29 -0.02 0.00 0.01 0.00 0.00 46.19 43.89 1twm s LEU 82 CO -0.08 0.02 -0.23 -0.70 1.01 0.00 0.00 176.35 176.37 1twm s GLU 83 N 1.03 2.32 0.19 1.70 2.12 0.66 -4.89 118.70 121.83 1twm s GLU 83 Ca 0.13 -0.87 -0.25 0.00 0.36 0.00 0.00 54.97 54.34 1twm s GLU 83 Cb -0.14 -2.15 -0.08 0.00 0.26 0.00 0.00 34.13 32.02 1twm s GLU 83 CO 0.05 0.52 0.79 -1.12 -0.54 0.00 0.00 175.26 174.97 1twm s SER 84 N -0.51 7.35 0.17 -1.70 0.01 -1.26 -1.16 113.70 116.60 1twm s SER 84 Ca 0.07 1.64 0.02 0.00 1.31 0.00 0.00 55.95 58.99 1twm s SER 84 Cb -0.11 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 1twm s SER 84 CO 0.00 0.15 -0.02 0.68 0.41 0.00 0.00 173.24 174.47 1twm s VAL 85 N -1.25 0.78 -0.01 3.43 -7.23 -0.94 -4.98 120.40 110.20 1twm s VAL 85 Ca 0.38 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 1twm s VAL 85 Cb -0.22 -2.06 -0.08 0.00 0.56 0.00 0.00 36.38 34.59 1twm s VAL 85 CO 0.25 -0.54 1.90 -0.62 -0.31 0.00 0.00 175.10 175.79 1twm s ASP 86 N -3.17 6.43 0.05 4.85 -1.08 -1.26 -4.84 116.67 117.65 1twm s ASP 86 Ca 0.22 2.49 0.07 0.00 -0.52 0.00 0.00 52.55 54.81 1twm s ASP 86 Cb 0.05 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 39.31 1twm s ASP 86 CO 0.03 -1.09 1.22 -0.81 0.52 0.00 0.00 175.17 175.03 1twm n PRO 87 N 7.54 0.02 0.02 4.34 -0.04 -1.26 -2.31 135.00 143.31 1twm n PRO 87 Ca 0.20 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 64.22 1twm n PRO 87 Cb 0.42 -1.57 -0.13 0.00 -0.04 0.00 0.00 33.50 32.18 1twm n PRO 87 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1twm n LYS 88 N -1.62 0.63 0.00 0.54 3.00 -1.26 -4.37 118.16 115.08 1twm n LYS 88 Ca 0.01 -0.12 0.10 0.00 -0.00 0.00 0.00 58.31 58.30 1twm n LYS 88 Cb 0.06 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 33.50 1twm n LYS 88 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1twm n ASN 89 N -2.34 1.97 -4.31 3.14 3.02 -0.98 -4.98 115.26 110.80 1twm n ASN 89 Ca -0.03 -1.49 -0.23 0.00 -0.03 0.00 0.00 54.58 52.81 1twm n ASN 89 Cb 0.56 0.44 -0.12 0.00 -0.61 0.00 0.00 39.78 40.05 1twm n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1twm s TYR 90 N -2.25 1.80 0.77 3.10 1.51 -1.18 -4.30 117.35 116.79 1twm s TYR 90 Ca 0.17 -0.44 -0.10 0.00 -1.01 0.00 0.00 57.07 55.70 1twm s TYR 90 Cb 0.17 -0.95 0.07 0.00 -0.11 0.00 0.00 41.96 41.14 1twm s TYR 90 CO 0.50 0.26 1.11 -1.25 -1.11 0.00 0.00 175.55 175.06 1twm s PRO 91 N -2.30 2.05 0.05 -1.71 0.04 -1.26 -4.89 135.00 126.98 1twm s PRO 91 Ca 0.10 -0.06 -0.04 0.00 0.04 0.00 0.00 61.00 61.05 1twm s PRO 91 Cb -0.08 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 1twm s PRO 91 CO 0.05 -1.45 0.05 -1.59 0.04 0.00 0.00 177.00 174.10 1twm s LYS 92 N -5.44 0.63 0.25 4.56 -2.85 -1.26 -4.92 119.74 110.70 1twm s LYS 92 Ca 0.61 -0.99 -0.06 0.00 -1.00 0.00 0.00 55.97 54.54 1twm s LYS 92 Cb -0.11 0.23 0.27 0.00 -2.06 0.00 0.00 37.83 36.16 1twm s LYS 92 CO 0.47 -0.15 1.89 0.87 0.10 0.00 0.00 175.35 178.54 1twm h LYS 93 N 3.33 1.24 -3.77 1.78 1.57 -1.92 -3.34 116.57 115.48 1twm h LYS 93 Ca -0.33 -0.12 -0.75 0.00 -1.87 0.00 0.00 60.65 57.58 1twm h LYS 93 Cb 1.17 -0.26 -0.30 0.00 0.08 0.00 0.00 32.23 32.93 1twm h LYS 93 CO 0.58 0.88 -0.11 0.21 -0.57 0.00 0.00 179.45 180.43 1twm s LYS 94 N -5.91 3.14 0.36 3.15 2.47 -1.26 -0.93 119.74 120.75 1twm s LYS 94 Ca -0.12 -2.44 -0.14 0.00 -1.56 0.00 0.00 55.97 51.70 1twm s LYS 94 Cb 0.17 -4.13 -0.08 0.00 -1.46 0.00 0.00 37.83 32.32 1twm s LYS 94 CO 0.82 -1.24 0.76 -1.64 0.16 0.00 0.00 175.35 174.21 1twm s MET 95 N 0.17 3.95 0.59 4.03 -1.94 -1.26 -5.03 119.30 119.81 1twm s MET 95 Ca 0.17 0.65 -0.20 0.00 -1.71 0.00 0.00 55.69 54.60 1twm s MET 95 Cb -0.15 -2.40 -0.03 0.00 2.01 0.00 0.00 34.83 34.26 1twm s MET 95 CO -0.06 0.08 1.31 -1.21 -0.01 0.00 0.00 175.02 175.13 1twm s GLU 96 N -3.25 2.90 0.40 2.03 8.01 -1.26 -4.88 118.70 122.64 1twm s GLU 96 Ca 0.54 2.10 0.14 0.00 0.01 0.00 0.00 54.97 57.76 1twm s GLU 96 Cb -0.10 -2.05 0.99 0.00 -4.31 0.00 0.00 34.13 28.66 1twm s GLU 96 CO 0.21 -1.34 1.86 -0.22 0.01 0.00 0.00 175.26 175.78 1twm h LYS 97 N 1.03 0.49 0.00 1.61 1.63 -1.96 -1.83 116.57 117.53 1twm h LYS 97 Ca -0.51 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.25 1twm h LYS 97 Cb 1.31 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1twm h LYS 97 CO 0.55 0.32 -0.04 0.07 -3.45 0.00 0.00 179.45 176.91 1twm h ARG 98 N 0.50 0.00 0.00 1.90 0.11 -1.90 -1.78 114.38 113.21 1twm h ARG 98 Ca 0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.55 1twm h ARG 98 Cb 1.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1twm h ARG 98 CO -0.20 0.04 -0.43 1.19 0.10 0.00 0.00 179.97 180.67 1twm n PHE 99 N -3.62 0.08 -3.21 4.08 3.72 -0.69 -1.00 117.46 116.82 1twm n PHE 99 Ca -0.02 0.02 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 1twm n PHE 99 Cb 0.14 -0.35 -0.06 0.00 -0.94 0.00 0.00 39.48 38.28 1twm n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1twm s VAL 100 N -3.02 5.02 0.03 -4.37 1.01 -0.67 -4.36 120.40 114.04 1twm s VAL 100 Ca 0.11 1.19 0.07 0.00 0.00 0.00 0.00 61.98 63.35 1twm s VAL 100 Cb 0.17 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1twm s VAL 100 CO 0.68 0.36 -0.21 -0.36 0.00 0.00 0.00 175.10 175.57 1twm s PHE 101 N 0.22 1.82 -0.35 5.22 0.40 0.19 -1.52 117.98 123.95 1twm s PHE 101 Ca 0.31 -0.37 -0.19 0.00 -0.60 0.00 0.00 56.93 56.08 1twm s PHE 101 Cb -0.17 -1.10 -0.00 0.00 0.51 0.00 0.00 43.02 42.26 1twm s PHE 101 CO 0.15 0.07 0.56 -0.80 0.70 0.00 0.00 175.22 175.90 1twm s ASN 102 N -1.05 6.36 -0.32 1.36 0.02 0.17 -0.00 114.94 121.47 1twm s ASN 102 Ca 0.08 0.03 -0.27 0.00 -1.02 0.00 0.00 52.86 51.67 1twm s ASN 102 Cb -0.09 -2.29 0.01 0.00 0.02 0.00 0.00 41.25 38.91 1twm s ASN 102 CO 0.01 -0.53 0.99 -0.75 0.02 0.00 0.00 177.10 176.84 1twm s LYS 103 N 2.52 4.01 -0.17 -0.60 2.20 0.24 -1.97 119.74 125.97 1twm s LYS 103 Ca 0.21 0.89 -0.03 0.00 -0.36 0.00 0.00 55.97 56.68 1twm s LYS 103 Cb -0.15 -3.75 -0.02 0.00 -1.51 0.00 0.00 37.83 32.41 1twm s LYS 103 CO 0.14 -0.86 -0.06 0.42 -0.36 0.00 0.00 175.35 174.63 1twm s ILE 104 N 3.48 3.49 -0.45 5.43 1.01 -0.05 -1.04 121.20 133.07 1twm s ILE 104 Ca 0.41 -0.48 -0.17 0.00 0.00 0.00 0.00 60.65 60.41 1twm s ILE 104 Cb -0.13 -2.54 0.04 0.00 0.01 0.00 0.00 42.46 39.85 1twm s ILE 104 CO 0.15 0.47 0.46 -1.61 0.00 0.00 0.00 174.94 174.42 1twm s GLU 105 N 0.77 3.07 0.00 2.79 2.02 -0.96 -1.32 118.70 125.07 1twm s GLU 105 Ca -0.02 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1twm s GLU 105 Cb -0.15 -4.04 0.00 0.00 0.10 0.00 0.00 34.13 30.04 1twm s GLU 105 CO 0.02 -0.98 0.00 0.44 0.02 0.00 0.00 175.26 174.76 1twm n ILE 106 N 5.41 0.00 0.00 -1.63 -5.35 -0.96 -4.97 119.36 111.85 1twm n ILE 106 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1twm n ILE 106 Cb 0.46 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 1twm n ILE 106 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1twm n ASN 107 N 0.00 0.00 0.00 7.28 2.85 -1.26 -4.30 115.26 119.83 1twm n ASN 107 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1twm n ASN 107 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1twm n ASN 107 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1twm n ASN 108 N 0.00 0.00 -4.96 1.20 0.23 -1.26 -5.09 115.26 105.38 1twm n ASN 108 Ca 0.00 -1.00 -0.20 0.00 -0.53 0.00 0.00 54.58 52.85 1twm n ASN 108 Cb 0.00 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 37.74 1twm n ASN 108 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1twm s LYS 109 N 0.00 2.47 0.13 -3.83 -0.14 -1.26 -4.89 119.74 112.22 1twm s LYS 109 Ca 0.00 -1.20 0.09 0.00 -1.36 0.00 0.00 55.97 53.50 1twm s LYS 109 Cb 0.00 -2.60 -0.04 0.00 -1.68 0.00 0.00 37.83 33.51 1twm s LYS 109 CO 0.00 -0.69 -0.22 -0.51 -0.76 0.00 0.00 175.35 173.18 1twm s LEU 110 N -4.64 2.35 0.04 3.17 1.43 0.15 -2.28 118.68 118.91 1twm s LEU 110 Ca 0.59 -0.75 0.04 0.00 -1.03 0.00 0.00 54.13 52.97 1twm s LEU 110 Cb -0.08 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.16 1twm s LEU 110 CO 0.37 0.06 -0.11 -1.61 0.23 0.00 0.00 176.35 175.29 1twm s GLU 111 N -2.20 0.72 -0.28 1.70 2.02 -0.43 -0.26 118.70 119.96 1twm s GLU 111 Ca 0.11 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.36 1twm s GLU 111 Cb -0.09 -0.65 0.08 0.00 0.10 0.00 0.00 34.13 33.57 1twm s GLU 111 CO 0.06 0.15 -0.01 -0.06 0.02 0.00 0.00 175.26 175.41 1twm s PHE 112 N -1.07 2.94 -0.09 1.61 0.08 -1.26 -0.87 117.98 119.32 1twm s PHE 112 Ca -0.03 -2.29 -0.11 0.00 0.12 0.00 0.00 56.93 54.62 1twm s PHE 112 Cb -0.09 -2.12 -0.05 0.00 -0.57 0.00 0.00 43.02 40.20 1twm s PHE 112 CO 0.01 -0.87 0.26 -2.00 -0.10 0.00 0.00 175.22 172.52 1twm s GLU 113 N 1.20 3.78 0.16 0.44 2.12 -0.83 -1.35 118.70 124.22 1twm s GLU 113 Ca 0.01 0.09 -0.31 0.00 0.36 0.00 0.00 54.97 55.12 1twm s GLU 113 Cb -0.19 -3.25 -0.09 0.00 0.26 0.00 0.00 34.13 30.86 1twm s GLU 113 CO -0.09 0.64 1.45 0.45 -0.54 0.00 0.00 175.26 177.16 1twm s SER 114 N -0.73 6.73 0.19 -1.70 0.15 0.49 0.44 113.70 119.26 1twm s SER 114 Ca 0.18 2.48 0.03 0.00 0.70 0.00 0.00 55.95 59.35 1twm s SER 114 Cb -0.14 -2.60 0.10 0.00 -1.71 0.00 0.00 66.02 61.68 1twm s SER 114 CO 0.07 -0.70 1.45 0.00 1.20 0.00 0.00 173.24 175.26 1twm h ALA 115 N 6.37 0.66 -0.23 5.45 0.00 -1.55 -3.24 119.26 126.72 1twm h ALA 115 Ca -0.43 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 53.77 1twm h ALA 115 Cb 1.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1twm h ALA 115 CO 0.86 0.84 -0.09 0.37 0.00 0.00 0.00 179.25 181.23 1twm h GLN 116 N 0.13 0.46 -3.92 0.00 5.75 -1.75 -3.39 115.11 112.39 1twm h GLN 116 Ca -0.03 -0.19 -0.67 0.00 -0.15 0.00 0.00 58.65 57.62 1twm h GLN 116 Cb 1.34 -0.02 -0.38 0.00 1.07 0.00 0.00 27.48 29.49 1twm h GLN 116 CO 0.12 0.72 -0.58 -0.06 -2.65 0.00 0.00 178.83 176.37 1twm s PHE 117 N -4.66 3.44 0.19 3.99 0.08 -1.22 -5.09 117.98 114.70 1twm s PHE 117 Ca -0.14 -2.92 -0.32 0.00 0.12 0.00 0.00 56.93 53.67 1twm s PHE 117 Cb 0.07 -2.99 -0.15 0.00 -0.57 0.00 0.00 43.02 39.37 1twm s PHE 117 CO 0.76 -0.85 1.21 -2.30 -0.10 0.00 0.00 175.22 173.94 1twm n PRO 118 N 3.70 1.34 -1.25 0.24 -0.02 -1.25 -1.99 135.00 135.78 1twm n PRO 118 Ca 0.04 0.48 -0.09 0.00 -2.02 0.00 0.00 63.50 61.91 1twm n PRO 118 Cb 0.37 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 1twm n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1twm n ASN 119 N 2.04 -4.38 -4.46 2.55 5.03 -1.26 -5.00 115.26 109.78 1twm n ASN 119 Ca 0.14 0.22 -0.34 0.00 0.87 0.00 0.00 54.58 55.47 1twm n ASN 119 Cb 0.26 -2.64 -0.13 0.00 -1.02 0.00 0.00 39.78 36.25 1twm n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1twm s TRP 120 N -2.21 2.98 0.17 3.10 0.52 -0.84 -4.45 118.94 118.21 1twm s TRP 120 Ca 0.00 -0.41 0.10 0.00 0.02 0.00 0.00 56.10 55.81 1twm s TRP 120 Cb 0.00 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 1twm s TRP 120 CO 0.00 -0.12 -0.22 0.71 0.02 0.00 0.00 176.95 177.34 1twm s TYR 121 N 0.48 2.10 -0.07 -1.98 2.02 0.24 -0.38 117.35 119.76 1twm s TYR 121 Ca -0.04 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 55.96 1twm s TYR 121 Cb -0.15 -1.06 -0.05 0.00 -0.40 0.00 0.00 41.96 40.31 1twm s TYR 121 CO 0.03 0.41 1.57 0.42 -1.57 0.00 0.00 175.55 176.41 1twm s ILE 122 N -1.69 3.71 0.19 2.71 1.01 -0.45 -0.51 121.20 126.17 1twm s ILE 122 Ca 0.17 0.88 0.06 0.00 0.00 0.00 0.00 60.65 61.76 1twm s ILE 122 Cb -0.08 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1twm s ILE 122 CO 0.08 -0.07 -0.11 -0.44 0.00 0.00 0.00 174.94 174.39 1twm s SER 123 N 3.02 2.23 0.20 3.58 0.01 0.28 -4.61 113.70 118.41 1twm s SER 123 Ca 0.69 -1.04 0.07 0.00 1.31 0.00 0.00 55.95 56.99 1twm s SER 123 Cb -0.31 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 65.79 1twm s SER 123 CO 0.27 -0.26 -0.13 0.42 0.41 0.00 0.00 173.24 173.94 1twm s THR 124 N -3.14 1.67 0.39 1.44 -4.23 -0.68 -0.88 115.64 110.21 1twm s THR 124 Ca 0.21 -2.19 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1twm s THR 124 Cb 0.01 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 1twm s THR 124 CO 0.05 -0.59 0.63 -0.55 -0.54 0.00 0.00 174.62 173.62 1twm s SER 125 N -3.31 6.29 0.22 3.99 0.15 -1.26 -1.60 113.70 118.18 1twm s SER 125 Ca 0.22 0.62 -0.02 0.00 0.70 0.00 0.00 55.95 57.48 1twm s SER 125 Cb -0.00 -2.11 0.20 0.00 -1.71 0.00 0.00 66.02 62.40 1twm s SER 125 CO 0.07 -0.39 1.59 1.56 1.20 0.00 0.00 173.24 177.27 1twm h GLN 126 N 0.61 0.61 -7.19 5.44 1.08 -1.97 -3.45 115.11 110.23 1twm h GLN 126 Ca -0.49 -0.30 -0.52 0.00 -1.45 0.00 0.00 58.65 55.89 1twm h GLN 126 Cb 1.21 -0.00 0.14 0.00 -0.05 0.00 0.00 27.48 28.78 1twm h GLN 126 CO 0.62 0.89 0.38 0.00 -0.95 0.00 0.00 178.83 179.76 1twm s ALA 127 N -4.30 2.21 0.40 3.87 0.00 -1.26 -5.00 121.76 117.68 1twm s ALA 127 Ca -0.08 0.75 -0.23 0.00 0.00 0.00 0.00 51.96 52.41 1twm s ALA 127 Cb 0.12 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 1twm s ALA 127 CO 0.83 -1.70 0.97 -2.00 0.00 0.00 0.00 175.76 173.85 1twm s GLU 128 N -4.00 4.28 -1.54 0.00 2.56 -1.26 -4.19 118.70 114.55 1twm s GLU 128 Ca 0.71 1.24 -0.02 0.00 0.00 0.00 0.00 54.97 56.90 1twm s GLU 128 Cb -0.26 -2.38 0.01 0.00 2.00 0.00 0.00 34.13 33.50 1twm s GLU 128 CO 0.44 0.01 0.23 -1.71 -0.56 0.00 0.00 175.26 173.68 1twm n ASN 129 N -0.28 -5.43 -4.92 -1.70 5.15 -0.72 -5.00 115.26 102.36 1twm n ASN 129 Ca 0.06 -0.09 -0.25 0.00 -0.60 0.00 0.00 54.58 53.69 1twm n ASN 129 Cb 0.52 -4.48 -0.03 0.00 -0.53 0.00 0.00 39.78 35.26 1twm n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1twm s MET 130 N -5.33 3.33 0.63 1.20 -1.94 -1.24 -4.83 119.30 111.11 1twm s MET 130 Ca 0.13 -0.69 -0.18 0.00 -1.71 0.00 0.00 55.69 53.24 1twm s MET 130 Cb -0.06 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.88 1twm s MET 130 CO 0.16 0.49 1.24 -2.14 -0.01 0.00 0.00 175.02 174.77 1twm s PRO 131 N -3.37 2.74 0.20 2.03 0.02 -1.26 -1.76 135.00 133.59 1twm s PRO 131 Ca 0.34 1.92 -0.28 0.00 0.02 0.00 0.00 61.00 63.00 1twm s PRO 131 Cb -0.10 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.44 1twm s PRO 131 CO 0.28 -1.42 0.86 0.08 -0.33 0.00 0.00 177.00 176.47 1twm s VAL 132 N -1.54 4.22 0.33 3.83 1.01 0.59 -4.58 120.40 124.25 1twm s VAL 132 Ca 0.79 1.90 0.02 0.00 0.00 0.00 0.00 61.98 64.70 1twm s VAL 132 Cb -0.33 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 1twm s VAL 132 CO 0.37 0.51 0.37 0.72 0.00 0.00 0.00 175.10 177.06 1twm s PHE 133 N -1.15 1.36 -0.34 5.22 -0.71 -0.06 -4.80 117.98 117.51 1twm s PHE 133 Ca 0.39 -1.45 -0.12 0.00 -1.04 0.00 0.00 56.93 54.70 1twm s PHE 133 Cb -0.25 -0.39 -0.01 0.00 -1.21 0.00 0.00 43.02 41.16 1twm s PHE 133 CO 0.29 -0.99 0.22 -1.17 -1.34 0.00 0.00 175.22 172.24 1twm s LEU 134 N -3.29 4.46 -0.07 -1.99 2.96 -1.26 1.00 118.68 120.49 1twm s LEU 134 Ca 0.35 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1twm s LEU 134 Cb 0.01 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1twm s LEU 134 CO 0.23 -0.24 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.13 1twm s GLY 135 N 1.69 1.70 -0.04 7.98 0.00 0.34 -4.88 107.32 114.12 1twm s GLY 135 Ca 0.06 -0.88 0.14 0.00 0.00 0.00 0.00 44.72 44.03 1twm s GLY 135 CO 0.09 -0.64 1.37 0.61 0.00 0.00 0.00 173.10 174.53 1twm n GLY 136 N 2.26 1.66 2.97 0.20 0.00 -1.26 -0.59 105.19 110.43 1twm n GLY 136 Ca -0.18 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 1twm n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1twm s THR 137 N -1.54 0.62 0.27 2.61 -4.23 -1.26 -4.83 115.64 107.28 1twm s THR 137 Ca 0.35 -0.28 0.07 0.00 -1.18 0.00 0.00 61.69 60.65 1twm s THR 137 Cb 0.20 -0.55 -0.03 0.00 1.34 0.00 0.00 72.50 73.46 1twm s THR 137 CO 0.20 0.20 0.20 -0.54 -0.54 0.00 0.00 174.62 174.13 1twm s LYS 138 N 0.14 2.81 -0.87 3.99 1.02 -1.26 -4.74 119.74 120.83 1twm s LYS 138 Ca -0.02 -1.15 -0.05 0.00 0.02 0.00 0.00 55.97 54.77 1twm s LYS 138 Cb -0.07 -2.50 -0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1twm s LYS 138 CO 0.00 0.32 0.70 0.41 -0.92 0.00 0.00 175.35 175.86 1twm n GLY 139 N -1.19 -1.21 0.00 -3.33 0.00 -1.26 -4.97 105.19 93.23 1twm n GLY 139 Ca -0.06 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1twm n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1twm n GLY 140 N -1.69 4.19 0.27 -0.02 0.00 -1.26 -5.04 105.19 101.63 1twm n GLY 140 Ca -0.13 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 1twm n GLY 140 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1twm h GLN 141 N 0.00 0.93 -6.84 1.61 7.50 -1.94 -3.45 115.11 112.92 1twm h GLN 141 Ca 0.00 -0.44 -0.47 0.00 0.50 0.00 0.00 58.65 58.24 1twm h GLN 141 Cb 0.00 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.50 1twm h GLN 141 CO 0.00 1.09 0.18 -0.51 -1.50 0.00 0.00 178.83 178.09 1twm s ASP 142 N -6.71 6.82 -0.03 1.46 1.01 -1.26 -4.55 116.67 113.40 1twm s ASP 142 Ca -0.11 1.41 -0.20 0.00 0.71 0.00 0.00 52.55 54.36 1twm s ASP 142 Cb 0.11 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.56 1twm s ASP 142 CO 0.87 -0.27 0.56 -0.63 0.21 0.00 0.00 175.17 175.91 1twm s ILE 143 N -2.07 4.99 0.00 0.77 1.01 -0.62 -4.72 121.20 120.57 1twm s ILE 143 Ca 0.57 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.37 1twm s ILE 143 Cb -0.10 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1twm s ILE 143 CO 0.16 0.40 0.37 0.35 0.00 0.00 0.00 174.94 176.23 1twm n THR 144 N 2.94 0.11 -4.42 2.92 -2.24 -1.26 -1.68 114.28 110.64 1twm n THR 144 Ca -0.07 -0.33 -0.27 0.00 -2.27 0.00 0.00 64.05 61.11 1twm n THR 144 Cb 0.51 1.31 -0.12 0.00 -2.10 0.00 0.00 70.33 69.93 1twm n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1twm s ASP 145 N -0.11 3.42 0.25 3.42 1.47 -1.26 -4.37 116.67 119.49 1twm s ASP 145 Ca 0.00 -0.85 0.00 0.00 1.18 0.00 0.00 52.55 52.88 1twm s ASP 145 Cb 0.00 -0.25 -0.03 0.00 -0.34 0.00 0.00 42.92 42.30 1twm s ASP 145 CO 0.00 0.13 0.22 -0.31 0.68 0.00 0.00 175.17 175.89 1twm s TYR 146 N -1.59 1.24 0.23 2.11 1.51 0.63 -1.57 117.35 119.91 1twm s TYR 146 Ca 0.20 -1.40 0.12 0.00 -1.01 0.00 0.00 57.07 54.98 1twm s TYR 146 Cb -0.08 -0.51 -0.05 0.00 -0.11 0.00 0.00 41.96 41.21 1twm s TYR 146 CO 0.09 -0.76 -0.22 0.95 -1.11 0.00 0.00 175.55 174.50 1twm s THR 147 N -3.89 2.43 -0.02 -0.71 -4.23 -0.51 0.33 115.64 109.04 1twm s THR 147 Ca 0.38 -2.18 0.07 0.00 -1.18 0.00 0.00 61.69 58.78 1twm s THR 147 Cb 0.05 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 1twm s THR 147 CO 0.16 -0.23 -0.24 -0.32 -0.54 0.00 0.00 174.62 173.45 1twm s MET 148 N -3.02 2.03 -0.10 3.99 1.75 -1.26 -2.32 119.30 120.36 1twm s MET 148 Ca 0.25 -0.87 0.03 0.00 -1.25 0.00 0.00 55.69 53.85 1twm s MET 148 Cb -0.07 -1.92 -0.01 0.00 2.84 0.00 0.00 34.83 35.67 1twm s MET 148 CO 0.12 0.50 -0.20 -0.65 -0.65 0.00 0.00 175.02 174.14 1twm s GLN 149 N -0.51 3.05 0.26 4.11 1.11 -0.66 -4.98 119.66 122.04 1twm s GLN 149 Ca 0.08 -0.81 -0.18 0.00 0.01 0.00 0.00 55.36 54.46 1twm s GLN 149 Cb -0.10 -2.39 -0.09 0.00 -1.01 0.00 0.00 33.01 29.43 1twm s GLN 149 CO -0.00 0.25 0.74 -0.06 0.01 0.00 0.00 175.29 176.22 1twm s PHE 150 N 0.21 3.54 0.01 0.91 0.40 -1.26 -1.30 117.98 120.48 1twm s PHE 150 Ca -0.12 1.33 0.07 0.00 -0.60 0.00 0.00 56.93 57.61 1twm s PHE 150 Cb -0.16 -2.60 -0.02 0.00 0.51 0.00 0.00 43.02 40.75 1twm s PHE 150 CO 0.07 0.24 -0.20 0.14 0.70 0.00 0.00 175.22 176.16 1twm s VAL 151 N -1.70 1.61 0.12 -0.44 -7.23 -1.02 -4.93 120.40 106.81 1twm s VAL 151 Ca 0.48 -1.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.72 1twm s VAL 151 Cb -0.14 -1.36 0.07 0.00 0.56 0.00 0.00 36.38 35.50 1twm s VAL 151 CO 0.20 0.34 1.02 -1.54 -0.31 0.00 0.00 175.10 174.81 1twm n SER 152 N 2.28 0.17 0.00 4.85 3.41 -1.26 -4.58 113.62 118.50 1twm n SER 152 Ca -0.16 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1twm n SER 152 Cb 0.53 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1twm n SER 152 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64