#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xa3 s VAL 2 N 0.00 3.77 0.03 0.00 1.01 -1.26 -4.98 120.40 118.97 2xa3 s VAL 2 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2xa3 s VAL 2 Cb 0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2xa3 s VAL 2 CO 0.00 0.51 0.04 -1.10 0.00 0.00 0.00 175.10 174.55 2xa3 s GLN 3 N 0.17 2.82 0.09 2.72 -0.21 -1.26 -4.70 119.66 119.30 2xa3 s GLN 3 Ca -0.03 -0.65 0.03 0.00 0.02 0.00 0.00 55.36 54.74 2xa3 s GLN 3 Cb -0.14 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 31.13 2xa3 s GLN 3 CO 0.03 0.60 -0.08 -0.51 -2.12 0.00 0.00 175.29 173.21 2xa3 s LEU 4 N -1.93 2.44 -0.17 2.90 1.02 -1.26 -1.02 118.68 120.66 2xa3 s LEU 4 Ca 0.24 -0.88 -0.06 0.00 0.02 0.00 0.00 54.13 53.44 2xa3 s LEU 4 Cb -0.12 -0.18 0.08 0.00 0.02 0.00 0.00 46.19 45.98 2xa3 s LEU 4 CO 0.15 -0.35 0.36 -1.58 0.02 0.00 0.00 176.35 174.95 2xa3 s GLN 5 N -3.17 0.27 0.41 1.70 0.74 -0.54 -4.47 119.66 114.61 2xa3 s GLN 5 Ca 0.07 0.89 -0.23 0.00 0.05 0.00 0.00 55.36 56.13 2xa3 s GLN 5 Cb 0.00 0.15 -0.09 0.00 1.10 0.00 0.00 33.01 34.17 2xa3 s GLN 5 CO -0.02 -0.24 1.03 -1.21 -0.55 0.00 0.00 175.29 174.29 2xa3 s GLU 6 N 2.31 4.15 0.20 1.67 8.01 -1.26 -0.99 118.70 132.79 2xa3 s GLU 6 Ca -0.02 1.42 -0.01 0.00 0.01 0.00 0.00 54.97 56.37 2xa3 s GLU 6 Cb -0.11 -2.45 -0.04 0.00 -4.31 0.00 0.00 34.13 27.21 2xa3 s GLU 6 CO -0.11 -0.14 0.13 -1.54 0.01 0.00 0.00 175.26 173.61 2xa3 s SER 7 N -1.71 0.24 0.00 -0.19 1.04 0.32 -4.96 113.70 108.44 2xa3 s SER 7 Ca 0.59 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2xa3 s SER 7 Cb -0.19 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2xa3 s SER 7 CO 0.24 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2xa3 n GLY 8 N -0.28 -1.33 0.00 7.32 0.00 -1.26 -1.23 105.19 108.41 2xa3 n GLY 8 Ca 0.02 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2xa3 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xa3 n GLY 9 N -1.48 0.69 0.00 -0.02 0.00 -1.26 -4.84 105.19 98.27 2xa3 n GLY 9 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2xa3 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xa3 n GLY 10 N -0.71 0.50 3.67 -0.02 0.00 -0.54 -5.01 105.19 103.08 2xa3 n GLY 10 Ca 0.00 -2.27 -0.35 0.00 0.00 0.00 0.00 46.02 43.40 2xa3 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2xa3 s LEU 11 N 0.00 3.71 0.00 0.99 2.96 -1.26 -1.32 118.68 123.77 2xa3 s LEU 11 Ca 0.00 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 2xa3 s LEU 11 Cb 0.00 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.80 2xa3 s LEU 11 CO 0.00 0.29 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.62 2xa3 s VAL 12 N -0.36 0.11 0.38 1.68 1.01 -0.18 -4.97 120.40 118.07 2xa3 s VAL 12 Ca 0.08 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 2xa3 s VAL 12 Cb -0.12 -0.13 -0.09 0.00 0.00 0.00 0.00 36.38 36.04 2xa3 s VAL 12 CO 0.02 -0.08 1.09 -1.10 0.00 0.00 0.00 175.10 175.03 2xa3 s GLN 13 N -0.33 4.18 0.27 2.72 -0.21 -1.26 -1.09 119.66 123.95 2xa3 s GLN 13 Ca -0.03 1.65 -0.29 0.00 0.02 0.00 0.00 55.36 56.71 2xa3 s GLN 13 Cb -0.02 -2.67 -0.14 0.00 1.00 0.00 0.00 33.01 31.18 2xa3 s GLN 13 CO -0.00 -0.16 1.06 0.00 -2.12 0.00 0.00 175.29 174.07 2xa3 n ALA 14 N 0.13 -0.24 0.00 6.09 0.00 0.04 -0.63 120.51 125.90 2xa3 n ALA 14 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2xa3 n ALA 14 Cb 0.48 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2xa3 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xa3 n GLY 15 N 1.42 2.48 1.92 0.00 0.00 0.75 -4.93 105.19 106.83 2xa3 n GLY 15 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 2xa3 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xa3 n GLY 16 N -2.00 -0.66 3.08 -0.02 0.00 0.20 -3.95 105.19 101.84 2xa3 n GLY 16 Ca 0.00 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 2xa3 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2xa3 s SER 17 N -3.29 0.86 -0.15 1.61 1.04 -1.26 -1.53 113.70 110.98 2xa3 s SER 17 Ca 0.36 -0.68 -0.15 0.00 0.48 0.00 0.00 55.95 55.96 2xa3 s SER 17 Cb -0.01 0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.21 2xa3 s SER 17 CO 0.25 -0.29 0.43 -0.22 0.98 0.00 0.00 173.24 174.38 2xa3 s LEU 18 N -1.99 0.37 -0.12 2.42 0.20 -0.72 -5.01 118.68 113.84 2xa3 s LEU 18 Ca -0.04 0.83 -0.03 0.00 0.69 0.00 0.00 54.13 55.57 2xa3 s LEU 18 Cb -0.05 1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 47.15 2xa3 s LEU 18 CO -0.01 -0.17 -0.00 -0.60 -0.29 0.00 0.00 176.35 175.27 2xa3 s ARG 19 N 0.14 3.28 -0.02 1.98 3.52 -1.26 -0.49 118.95 126.10 2xa3 s ARG 19 Ca -0.01 -0.44 -0.00 0.00 -0.13 0.00 0.00 55.73 55.15 2xa3 s ARG 19 Cb -0.03 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.46 2xa3 s ARG 19 CO 0.01 0.53 0.05 -0.51 -0.81 0.00 0.00 175.30 174.57 2xa3 s LEU 20 N -0.40 3.77 0.16 -0.88 1.43 0.04 -4.22 118.68 118.58 2xa3 s LEU 20 Ca 0.07 0.11 0.11 0.00 -1.03 0.00 0.00 54.13 53.39 2xa3 s LEU 20 Cb -0.12 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 2xa3 s LEU 20 CO 0.02 0.29 -0.25 -0.44 0.23 0.00 0.00 176.35 176.20 2xa3 s SER 21 N -1.58 3.29 -0.07 2.29 0.01 -0.36 -1.00 113.70 116.28 2xa3 s SER 21 Ca 0.21 -0.81 -0.00 0.00 1.31 0.00 0.00 55.95 56.66 2xa3 s SER 21 Cb -0.12 -0.23 0.02 0.00 0.21 0.00 0.00 66.02 65.91 2xa3 s SER 21 CO 0.11 0.13 -0.05 0.00 0.41 0.00 0.00 173.24 173.85 2xa3 s THR 23 N 1.45 4.72 0.28 0.00 2.01 -0.16 -0.85 115.64 123.09 2xa3 s THR 23 Ca -0.02 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 61.85 2xa3 s THR 23 Cb -0.13 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 2xa3 s THR 23 CO -0.04 0.19 0.30 0.54 -0.69 0.00 0.00 174.62 174.93 2xa3 s VAL 24 N 1.65 4.40 0.14 3.82 0.11 -0.75 -1.46 120.40 128.32 2xa3 s VAL 24 Ca 0.06 -1.22 -0.34 0.00 -2.93 0.00 0.00 61.98 57.54 2xa3 s VAL 24 Cb -0.16 -3.48 -0.16 0.00 -1.53 0.00 0.00 36.38 31.06 2xa3 s VAL 24 CO 0.07 -0.28 1.31 -1.20 -3.33 0.00 0.00 175.10 171.67 2xa3 n SER 25 N -1.35 1.81 0.09 3.54 7.64 -0.19 -4.86 113.62 120.30 2xa3 n SER 25 Ca -0.06 1.13 0.08 0.00 1.01 0.00 0.00 58.87 61.03 2xa3 n SER 25 Cb 0.58 -1.25 0.54 0.00 -1.01 0.00 0.00 64.21 63.07 2xa3 n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2xa3 h ALA 26 N 4.24 1.93 -0.61 -0.43 0.00 -1.94 -2.58 119.26 119.88 2xa3 h ALA 26 Ca -0.45 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 2xa3 h ALA 26 Cb 1.32 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 2xa3 h ALA 26 CO 0.76 0.03 0.15 0.54 0.00 0.00 0.00 179.25 180.73 2xa3 n ARG 27 N -4.49 3.75 -1.83 0.00 1.74 -1.26 -4.94 116.66 109.62 2xa3 n ARG 27 Ca 0.02 -3.08 -0.42 0.00 -0.77 0.00 0.00 57.85 53.60 2xa3 n ARG 27 Cb 0.16 -2.15 -0.03 0.00 -1.02 0.00 0.00 32.46 29.42 2xa3 n ARG 27 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2xa3 s THR 28 N -2.95 2.31 0.90 0.55 2.01 -0.97 -5.00 115.64 112.48 2xa3 s THR 28 Ca 0.53 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.63 2xa3 s THR 28 Cb 0.42 -3.14 0.13 0.00 0.01 0.00 0.00 72.50 69.92 2xa3 s THR 28 CO 0.12 0.02 1.13 -0.94 -0.69 0.00 0.00 174.62 174.27 2xa3 s SER 29 N 1.13 3.61 0.15 3.53 1.04 -1.26 -4.95 113.70 116.94 2xa3 s SER 29 Ca 0.72 0.99 0.22 0.00 0.48 0.00 0.00 55.95 58.36 2xa3 s SER 29 Cb -0.47 -1.58 0.88 0.00 0.10 0.00 0.00 66.02 64.96 2xa3 s SER 29 CO 0.32 -2.49 1.68 -1.54 0.98 0.00 0.00 173.24 172.19 2xa3 n SER 30 N -3.73 0.44 -3.35 7.02 3.41 -1.26 -4.29 113.62 111.85 2xa3 n SER 30 Ca 0.07 0.59 -0.39 0.00 -0.26 0.00 0.00 58.87 58.87 2xa3 n SER 30 Cb 0.59 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 2xa3 n SER 30 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2xa3 n SER 31 N -1.96 8.31 -3.77 4.04 2.88 -1.26 -3.36 113.62 118.50 2xa3 n SER 31 Ca 0.04 -2.61 -0.11 0.00 -1.33 0.00 0.00 58.87 54.87 2xa3 n SER 31 Cb 0.26 -1.57 -0.07 0.00 -0.75 0.00 0.00 64.21 62.09 2xa3 n SER 31 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2xa3 s HIS 32 N 2.21 -0.03 -0.06 0.66 4.02 -1.26 -2.04 115.29 118.78 2xa3 s HIS 32 Ca 0.68 -0.21 0.00 0.00 1.02 0.00 0.00 55.06 56.54 2xa3 s HIS 32 Cb 0.18 0.06 -0.03 0.00 -1.02 0.00 0.00 32.58 31.77 2xa3 s HIS 32 CO -0.06 -0.53 -0.03 -0.51 1.02 0.00 0.00 174.74 174.62 2xa3 s ASP 33 N -2.37 4.93 -0.00 1.40 1.01 0.05 -1.11 116.67 120.57 2xa3 s ASP 33 Ca -0.01 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.28 2xa3 s ASP 33 Cb 0.01 -1.30 -0.04 0.00 1.01 0.00 0.00 42.92 42.60 2xa3 s ASP 33 CO -0.07 0.35 0.05 -0.04 0.21 0.00 0.00 175.17 175.68 2xa3 s MET 34 N -0.98 2.96 0.16 8.23 -1.94 -0.24 -0.98 119.30 126.52 2xa3 s MET 34 Ca 0.14 -0.53 -0.07 0.00 -1.71 0.00 0.00 55.69 53.52 2xa3 s MET 34 Cb -0.11 -2.79 -0.01 0.00 2.01 0.00 0.00 34.83 33.92 2xa3 s MET 34 CO 0.03 0.64 0.25 0.20 -0.01 0.00 0.00 175.02 176.13 2xa3 s GLY 35 N -1.66 0.61 -0.05 -0.03 0.00 0.45 -0.70 107.32 105.94 2xa3 s GLY 35 Ca 0.22 -1.02 0.07 0.00 0.00 0.00 0.00 44.72 43.98 2xa3 s GLY 35 CO 0.12 -0.94 -0.25 -0.98 0.00 0.00 0.00 173.10 171.05 2xa3 s TRP 36 N -3.99 2.41 0.27 1.90 0.52 0.75 -0.82 118.94 119.97 2xa3 s TRP 36 Ca 0.19 -0.66 0.06 0.00 0.02 0.00 0.00 56.10 55.72 2xa3 s TRP 36 Cb 0.04 -1.57 -0.06 0.00 -1.15 0.00 0.00 33.47 30.73 2xa3 s TRP 36 CO 0.01 -0.18 -0.05 -0.06 0.02 0.00 0.00 176.95 176.69 2xa3 s PHE 37 N -0.27 1.87 0.03 -1.98 0.08 0.10 -0.74 117.98 117.07 2xa3 s PHE 37 Ca -0.00 -0.73 -0.08 0.00 0.12 0.00 0.00 56.93 56.23 2xa3 s PHE 37 Cb -0.13 -1.07 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 2xa3 s PHE 37 CO 0.03 0.23 0.16 -0.98 -0.10 0.00 0.00 175.22 174.56 2xa3 s ARG 38 N -3.75 0.63 -0.07 0.44 1.70 -0.04 -0.20 118.95 117.66 2xa3 s ARG 38 Ca 0.29 -0.61 -0.03 0.00 -0.47 0.00 0.00 55.73 54.92 2xa3 s ARG 38 Cb 0.04 0.26 0.04 0.00 -0.57 0.00 0.00 34.95 34.72 2xa3 s ARG 38 CO 0.11 -0.17 0.13 -1.14 -1.08 0.00 0.00 175.30 173.15 2xa3 s GLN 39 N -2.32 0.00 0.15 3.89 0.74 -0.07 -0.60 119.66 121.45 2xa3 s GLN 39 Ca -0.07 0.49 -0.10 0.00 0.05 0.00 0.00 55.36 55.72 2xa3 s GLN 39 Cb -0.02 -0.33 -0.06 0.00 1.10 0.00 0.00 33.01 33.69 2xa3 s GLN 39 CO -0.03 -0.30 0.48 0.00 -0.55 0.00 0.00 175.29 174.90 2xa3 s ALA 40 N 2.14 3.65 0.19 1.58 0.00 -1.26 -1.29 121.76 126.77 2xa3 s ALA 40 Ca 0.02 -0.30 -0.33 0.00 0.00 0.00 0.00 51.96 51.35 2xa3 s ALA 40 Cb -0.12 -2.37 -0.14 0.00 0.00 0.00 0.00 23.12 20.49 2xa3 s ALA 40 CO -0.05 0.53 1.44 -2.30 0.00 0.00 0.00 175.76 175.38 2xa3 n PRO 41 N 0.46 1.93 0.00 0.00 -0.02 -1.26 -1.25 135.00 134.86 2xa3 n PRO 41 Ca -0.04 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2xa3 n PRO 41 Cb 0.52 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2xa3 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2xa3 n GLY 42 N 2.61 2.56 3.75 -1.23 0.00 -1.26 -5.04 105.19 106.58 2xa3 n GLY 42 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 2xa3 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xa3 s LYS 43 N -0.65 2.49 0.42 1.61 -0.14 -0.38 -5.12 119.74 117.97 2xa3 s LYS 43 Ca 0.00 -1.42 -0.21 0.00 -1.36 0.00 0.00 55.97 52.97 2xa3 s LYS 43 Cb 0.00 -2.27 -0.11 0.00 -1.68 0.00 0.00 37.83 33.77 2xa3 s LYS 43 CO 0.00 0.18 0.94 -1.21 -0.76 0.00 0.00 175.35 174.51 2xa3 s GLU 44 N -3.84 4.26 0.21 1.68 0.41 -1.26 -4.63 118.70 115.52 2xa3 s GLU 44 Ca 0.37 1.13 -0.30 0.00 -0.41 0.00 0.00 54.97 55.76 2xa3 s GLU 44 Cb -0.04 -2.25 -0.09 0.00 -1.78 0.00 0.00 34.13 29.96 2xa3 s GLU 44 CO 0.23 0.01 1.38 0.50 -0.49 0.00 0.00 175.26 176.89 2xa3 s ARG 45 N -3.06 4.33 0.13 1.61 3.52 -1.26 -4.67 118.95 119.55 2xa3 s ARG 45 Ca 0.61 2.17 0.05 0.00 -0.13 0.00 0.00 55.73 58.42 2xa3 s ARG 45 Cb -0.10 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 2xa3 s ARG 45 CO 0.14 -0.35 -0.11 -1.83 -0.81 0.00 0.00 175.30 172.34 2xa3 s GLU 46 N -0.05 1.01 0.30 5.12 -1.05 0.23 -4.95 118.70 119.32 2xa3 s GLU 46 Ca 0.59 -1.35 -0.29 0.00 -0.15 0.00 0.00 54.97 53.77 2xa3 s GLU 46 Cb -0.39 -0.66 -0.10 0.00 -0.44 0.00 0.00 34.13 32.55 2xa3 s GLU 46 CO 0.39 0.09 1.15 0.12 0.95 0.00 0.00 175.26 177.97 2xa3 s PHE 47 N -2.91 3.41 -0.03 4.83 5.36 -1.26 -0.86 117.98 126.52 2xa3 s PHE 47 Ca 0.13 1.62 -0.04 0.00 -0.96 0.00 0.00 56.93 57.68 2xa3 s PHE 47 Cb -0.00 -3.38 -0.02 0.00 -0.34 0.00 0.00 43.02 39.27 2xa3 s PHE 47 CO 0.01 -0.91 -0.09 0.28 -1.46 0.00 0.00 175.22 173.04 2xa3 n VAL 48 N 0.98 0.79 -3.48 3.12 0.31 0.08 -4.63 118.33 115.49 2xa3 n VAL 48 Ca -0.00 0.09 -0.13 0.00 -0.01 0.00 0.00 64.34 64.29 2xa3 n VAL 48 Cb 0.44 -1.68 -0.04 0.00 -0.91 0.00 0.00 33.84 31.66 2xa3 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2xa3 s ALA 49 N -2.18 -1.73 0.06 3.52 0.00 -0.92 -1.27 121.76 119.25 2xa3 s ALA 49 Ca -0.09 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 52.74 2xa3 s ALA 49 Cb 0.03 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.50 2xa3 s ALA 49 CO 0.12 -0.58 0.20 0.00 0.00 0.00 0.00 175.76 175.50 2xa3 s ALA 50 N -2.53 -0.31 -0.03 0.00 0.00 -0.29 -0.18 121.76 118.41 2xa3 s ALA 50 Ca -0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 2xa3 s ALA 50 Cb -0.01 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.51 2xa3 s ALA 50 CO -0.03 -0.43 0.08 -1.50 0.00 0.00 0.00 175.76 173.87 2xa3 s ILE 51 N -3.18 -0.02 0.07 0.00 2.07 0.13 -1.44 121.20 118.82 2xa3 s ILE 51 Ca -0.00 0.09 -0.31 0.00 -1.41 0.00 0.00 60.65 59.02 2xa3 s ILE 51 Cb 0.02 -0.14 -0.07 0.00 0.13 0.00 0.00 42.46 42.40 2xa3 s ILE 51 CO -0.07 0.04 1.42 -0.55 -1.91 0.00 0.00 174.94 173.87 2xa3 s SER 52 N 0.52 6.81 0.43 4.50 0.15 -0.25 -1.08 113.70 124.78 2xa3 s SER 52 Ca -0.04 2.27 0.22 0.00 0.70 0.00 0.00 55.95 59.10 2xa3 s SER 52 Cb -0.06 -2.57 0.95 0.00 -1.71 0.00 0.00 66.02 62.62 2xa3 s SER 52 CO -0.02 -0.70 1.85 -0.25 1.20 0.00 0.00 173.24 175.32 2xa3 h TRP 52 N 7.36 0.00 0.03 3.44 -0.00 -1.36 -1.25 115.95 124.17 2xa3 h TRP 52 Ca -0.41 0.00 -0.29 0.00 -0.00 0.00 0.00 58.89 58.20 2xa3 h TRP 52 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.32 2xa3 h TRP 52 CO 0.71 0.26 -1.57 -1.13 -0.00 0.00 0.00 178.44 176.71 2xa3 n SER 53 N -3.54 1.93 -0.00 2.65 3.41 -1.21 -4.71 113.62 112.14 2xa3 n SER 53 Ca -0.01 0.35 0.07 0.00 -0.26 0.00 0.00 58.87 59.02 2xa3 n SER 53 Cb 0.41 -0.92 -0.09 0.00 -0.26 0.00 0.00 64.21 63.35 2xa3 n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xa3 n GLY 54 N 1.57 -0.39 2.58 5.00 0.00 -1.23 -5.01 105.19 107.70 2xa3 n GLY 54 Ca -0.34 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2xa3 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xa3 n GLY 55 N 1.42 0.84 3.76 -0.02 0.00 -0.47 -4.98 105.19 105.75 2xa3 n GLY 55 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2xa3 n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xa3 s THR 56 N -3.34 2.50 0.24 2.61 2.01 -1.26 -4.64 115.64 113.75 2xa3 s THR 56 Ca 0.00 0.46 0.10 0.00 0.31 0.00 0.00 61.69 62.56 2xa3 s THR 56 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2xa3 s THR 56 CO 0.00 0.10 -0.09 0.42 -0.69 0.00 0.00 174.62 174.35 2xa3 s THR 57 N -0.68 3.06 -0.02 -0.82 -4.23 -1.26 -1.09 115.64 110.60 2xa3 s THR 57 Ca 0.54 -1.98 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2xa3 s THR 57 Cb -0.43 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 70.83 2xa3 s THR 57 CO 0.52 -0.29 0.10 0.20 -0.54 0.00 0.00 174.62 174.61 2xa3 s ASN 58 N -3.34 -0.02 0.05 3.99 0.01 -0.52 -4.87 114.94 110.24 2xa3 s ASN 58 Ca 0.29 -0.02 0.04 0.00 -0.71 0.00 0.00 52.86 52.45 2xa3 s ASN 58 Cb -0.07 0.21 -0.02 0.00 0.41 0.00 0.00 41.25 41.78 2xa3 s ASN 58 CO 0.17 -0.19 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.15 2xa3 s TYR 59 N -0.64 0.93 0.42 2.20 2.02 -1.26 -1.14 117.35 119.87 2xa3 s TYR 59 Ca -0.07 -0.43 -0.25 0.00 -0.37 0.00 0.00 57.07 55.95 2xa3 s TYR 59 Cb -0.04 -0.54 -0.08 0.00 -0.40 0.00 0.00 41.96 40.89 2xa3 s TYR 59 CO 0.00 -0.01 1.25 0.54 -1.57 0.00 0.00 175.55 175.77 2xa3 s VAL 60 N -1.16 2.78 0.30 0.71 0.11 -0.39 -4.91 120.40 117.84 2xa3 s VAL 60 Ca -0.04 0.67 0.04 0.00 -2.93 0.00 0.00 61.98 59.71 2xa3 s VAL 60 Cb -0.09 -3.38 0.30 0.00 -1.53 0.00 0.00 36.38 31.68 2xa3 s VAL 60 CO 0.01 0.07 1.83 0.44 -3.33 0.00 0.00 175.10 174.13 2xa3 h ASP 61 N 2.53 0.84 0.50 3.54 3.32 -1.94 -2.17 116.42 123.03 2xa3 h ASP 61 Ca -0.49 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2xa3 h ASP 61 Cb 1.25 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2xa3 h ASP 61 CO 0.62 0.42 0.00 -1.54 -1.72 0.00 0.00 179.24 177.02 2xa3 n SER 62 N -4.63 0.00 -0.10 6.45 3.41 -1.26 -2.49 113.62 115.00 2xa3 n SER 62 Ca 0.19 0.48 0.02 0.00 -0.26 0.00 0.00 58.87 59.31 2xa3 n SER 62 Cb 0.42 -0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2xa3 n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2xa3 n VAL 63 N -1.49 0.00 -1.66 -3.33 0.24 -0.83 -4.97 118.33 106.29 2xa3 n VAL 63 Ca 0.04 -0.44 -0.46 0.00 -2.04 0.00 0.00 64.34 61.43 2xa3 n VAL 63 Cb 0.17 1.05 -0.04 0.00 -1.47 0.00 0.00 33.84 33.55 2xa3 n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2xa3 n LYS 64 N -0.44 2.06 -0.23 7.34 5.02 -1.04 -0.97 118.16 129.89 2xa3 n LYS 64 Ca 0.02 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 2xa3 n LYS 64 Cb 0.10 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 32.63 2xa3 n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xa3 n GLY 65 N 3.09 1.65 0.40 0.72 0.00 -1.26 -4.79 105.19 104.99 2xa3 n GLY 65 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 2xa3 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xa3 n ARG 66 N -2.00 0.06 -4.09 1.61 1.74 -0.14 -5.01 116.66 108.83 2xa3 n ARG 66 Ca 0.00 0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.79 2xa3 n ARG 66 Cb 0.00 -0.86 -0.07 0.00 -1.02 0.00 0.00 32.46 30.51 2xa3 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2xa3 s PHE 67 N -2.05 3.19 -0.06 -1.55 0.40 -0.57 -1.33 117.98 116.01 2xa3 s PHE 67 Ca -0.04 0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.42 2xa3 s PHE 67 Cb 0.01 -1.64 0.01 0.00 0.51 0.00 0.00 43.02 41.90 2xa3 s PHE 67 CO 0.05 0.52 -0.14 -0.51 0.70 0.00 0.00 175.22 175.84 2xa3 s ASP 68 N -2.18 1.95 -0.12 1.36 1.01 0.11 -4.82 116.67 113.99 2xa3 s ASP 68 Ca 0.27 -0.33 -0.04 0.00 0.71 0.00 0.00 52.55 53.16 2xa3 s ASP 68 Cb -0.12 -0.78 -0.04 0.00 1.01 0.00 0.00 42.92 43.00 2xa3 s ASP 68 CO 0.19 0.08 0.05 -0.51 0.21 0.00 0.00 175.17 175.19 2xa3 s ILE 69 N 0.43 4.71 0.24 0.77 2.07 -1.26 -0.40 121.20 127.76 2xa3 s ILE 69 Ca -0.11 -0.09 -0.04 0.00 -1.41 0.00 0.00 60.65 59.00 2xa3 s ILE 69 Cb -0.14 -3.03 -0.02 0.00 0.13 0.00 0.00 42.46 39.39 2xa3 s ILE 69 CO 0.04 0.58 0.29 -0.94 -1.91 0.00 0.00 174.94 172.99 2xa3 s SER 70 N -0.63 0.29 0.07 4.50 1.04 -0.87 -5.00 113.70 113.10 2xa3 s SER 70 Ca 0.11 -1.29 -0.04 0.00 0.48 0.00 0.00 55.95 55.21 2xa3 s SER 70 Cb -0.12 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 2xa3 s SER 70 CO 0.02 -1.00 0.07 -1.59 0.98 0.00 0.00 173.24 171.72 2xa3 s LYS 71 N -3.93 0.74 -0.34 4.02 -2.85 -1.26 -0.71 119.74 115.41 2xa3 s LYS 71 Ca 0.33 -1.14 -0.01 0.00 -1.00 0.00 0.00 55.97 54.15 2xa3 s LYS 71 Cb 0.03 0.27 0.13 0.00 -2.06 0.00 0.00 37.83 36.20 2xa3 s LYS 71 CO 0.13 -0.19 0.19 0.34 0.10 0.00 0.00 175.35 175.92 2xa3 s ASP 72 N -2.91 3.22 0.36 0.03 -1.08 0.18 -4.99 116.67 111.49 2xa3 s ASP 72 Ca 0.08 -1.96 0.04 0.00 -0.52 0.00 0.00 52.55 50.19 2xa3 s ASP 72 Cb 0.07 -0.46 0.68 0.00 -1.46 0.00 0.00 42.92 41.75 2xa3 s ASP 72 CO -0.09 -0.35 1.98 0.78 0.52 0.00 0.00 175.17 178.01 2xa3 h ASN 73 N 7.41 0.58 0.07 -0.34 2.35 -1.93 -1.50 115.58 122.22 2xa3 h ASN 73 Ca -0.02 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2xa3 h ASN 73 Cb 0.98 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 2xa3 h ASN 73 CO 0.34 0.49 -0.07 0.00 -1.65 0.00 0.00 177.43 176.54 2xa3 h ALA 74 N 1.60 1.86 -0.24 -0.83 0.00 -1.94 -2.19 119.26 117.52 2xa3 h ALA 74 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2xa3 h ALA 74 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2xa3 h ALA 74 CO -0.02 0.08 0.00 1.63 0.00 0.00 0.00 179.25 180.94 2xa3 n LYS 75 N -4.42 1.97 -3.71 0.00 5.02 -0.88 -4.99 118.16 111.15 2xa3 n LYS 75 Ca -0.03 -1.86 -0.23 0.00 -2.02 0.00 0.00 58.31 54.17 2xa3 n LYS 75 Cb 0.15 -1.36 0.03 0.00 -0.02 0.00 0.00 35.03 33.83 2xa3 n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2xa3 n ASN 76 N 0.97 -2.03 -4.09 4.39 5.03 -0.63 -4.90 115.26 113.99 2xa3 n ASN 76 Ca 0.13 -0.87 -0.19 0.00 0.87 0.00 0.00 54.58 54.51 2xa3 n ASN 76 Cb 0.46 -3.86 -0.14 0.00 -1.02 0.00 0.00 39.78 35.22 2xa3 n ASN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2xa3 s ALA 77 N -3.67 0.98 0.12 5.41 0.00 -0.78 -1.80 121.76 122.01 2xa3 s ALA 77 Ca 0.11 -0.64 0.10 0.00 0.00 0.00 0.00 51.96 51.53 2xa3 s ALA 77 Cb -0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2xa3 s ALA 77 CO 0.83 0.20 -0.26 0.08 0.00 0.00 0.00 175.76 176.60 2xa3 s VAL 78 N -0.61 2.17 0.05 0.00 1.01 -0.03 -0.65 120.40 122.34 2xa3 s VAL 78 Ca 0.02 -1.69 0.04 0.00 0.00 0.00 0.00 61.98 60.35 2xa3 s VAL 78 Cb -0.06 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 2xa3 s VAL 78 CO 0.00 0.10 -0.12 -0.31 0.00 0.00 0.00 175.10 174.77 2xa3 s TYR 79 N -1.04 1.07 -0.25 5.22 2.02 0.12 -0.16 117.35 124.33 2xa3 s TYR 79 Ca 0.13 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.45 2xa3 s TYR 79 Cb -0.10 -0.63 0.06 0.00 -0.40 0.00 0.00 41.96 40.90 2xa3 s TYR 79 CO 0.05 0.02 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.82 2xa3 s LEU 80 N -1.35 2.99 -0.38 -1.29 2.96 -0.17 -2.04 118.68 119.40 2xa3 s LEU 80 Ca -0.02 -1.33 -0.23 0.00 -0.22 0.00 0.00 54.13 52.34 2xa3 s LEU 80 Cb -0.09 -1.32 0.01 0.00 0.50 0.00 0.00 46.19 45.30 2xa3 s LEU 80 CO 0.01 -0.24 0.77 -1.58 -1.32 0.00 0.00 176.35 174.00 2xa3 s GLN 81 N 1.27 3.69 -0.49 1.98 2.00 0.47 -0.78 119.66 127.80 2xa3 s GLN 81 Ca -0.05 0.23 -0.07 0.00 -2.00 0.00 0.00 55.36 53.46 2xa3 s GLN 81 Cb -0.19 -3.83 0.13 0.00 0.80 0.00 0.00 33.01 29.92 2xa3 s GLN 81 CO -0.06 -0.88 0.34 -1.64 -0.50 0.00 0.00 175.29 172.55 2xa3 s MET 82 N 3.09 2.42 0.35 1.67 -1.94 0.35 -0.71 119.30 124.53 2xa3 s MET 82 Ca 0.30 -1.91 0.06 0.00 -1.71 0.00 0.00 55.69 52.43 2xa3 s MET 82 Cb -0.13 -3.84 -0.01 0.00 2.01 0.00 0.00 34.83 32.86 2xa3 s MET 82 CO 0.18 -1.17 0.49 -0.80 -0.01 0.00 0.00 175.02 173.71 2xa3 s ASN 82 N 2.20 5.96 -1.39 3.03 0.01 -0.44 -1.75 114.94 122.56 2xa3 s ASN 82 Ca 0.08 -0.13 -0.02 0.00 -0.71 0.00 0.00 52.86 52.08 2xa3 s ASN 82 Cb -0.24 -1.27 0.02 0.00 0.41 0.00 0.00 41.25 40.17 2xa3 s ASN 82 CO -0.02 -0.46 0.62 -1.20 -1.51 0.00 0.00 177.10 174.53 2xa3 n SER 82 N -1.69 -1.29 -4.75 -1.22 7.64 -1.09 -4.53 113.62 106.70 2xa3 n SER 82 Ca -0.00 -0.90 -0.41 0.00 1.01 0.00 0.00 58.87 58.57 2xa3 n SER 82 Cb 0.58 -3.60 -0.02 0.00 -1.01 0.00 0.00 64.21 60.16 2xa3 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2xa3 s LEU 82 N -6.88 4.40 0.28 -3.43 1.43 -0.58 -4.67 118.68 109.24 2xa3 s LEU 82 Ca 0.10 2.64 0.09 0.00 -1.03 0.00 0.00 54.13 55.93 2xa3 s LEU 82 Cb -0.05 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2xa3 s LEU 82 CO 0.85 -0.64 0.08 -0.54 0.23 0.00 0.00 176.35 176.33 2xa3 s LYS 83 N -0.70 2.46 0.35 1.70 1.02 -1.26 -0.18 119.74 123.13 2xa3 s LYS 83 Ca 0.56 -1.37 0.06 0.00 0.02 0.00 0.00 55.97 55.24 2xa3 s LYS 83 Cb -0.41 -2.26 0.73 0.00 -0.52 0.00 0.00 37.83 35.37 2xa3 s LYS 83 CO 0.45 0.30 1.92 -1.35 -0.92 0.00 0.00 175.35 175.75 2xa3 h PRO 84 N 1.70 0.76 0.00 -1.68 0.11 -1.82 -1.48 132.00 129.60 2xa3 h PRO 84 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2xa3 h PRO 84 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2xa3 h PRO 84 CO 0.61 0.51 0.14 1.05 -0.21 0.00 0.00 178.00 180.10 2xa3 h GLU 85 N 0.79 0.00 -0.00 1.05 4.11 -1.95 -2.38 114.58 116.19 2xa3 h GLU 85 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 2xa3 h GLU 85 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2xa3 h GLU 85 CO -0.15 0.00 -0.19 -0.25 0.07 0.00 0.00 179.01 178.49 2xa3 n ASP 86 N -2.85 0.45 -4.70 3.06 8.00 -0.55 -4.87 116.55 115.10 2xa3 n ASP 86 Ca -0.02 -0.34 -0.42 0.00 0.71 0.00 0.00 54.79 54.72 2xa3 n ASP 86 Cb 0.20 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 2xa3 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2xa3 s THR 87 N -2.69 2.57 -0.13 -3.53 2.01 -0.90 -4.88 115.64 108.09 2xa3 s THR 87 Ca 0.22 0.16 -0.34 0.00 0.31 0.00 0.00 61.69 62.04 2xa3 s THR 87 Cb 0.19 -3.10 0.15 0.00 0.01 0.00 0.00 72.50 69.75 2xa3 s THR 87 CO 0.54 0.00 1.42 0.00 -0.69 0.00 0.00 174.62 175.89 2xa3 s ALA 88 N 2.42 -2.43 -0.13 7.40 0.00 -0.56 -4.60 121.76 123.86 2xa3 s ALA 88 Ca 0.78 1.13 -0.25 0.00 0.00 0.00 0.00 51.96 53.62 2xa3 s ALA 88 Cb -0.45 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2xa3 s ALA 88 CO 0.35 -0.96 0.78 0.08 0.00 0.00 0.00 175.76 176.01 2xa3 s VAL 89 N -2.06 4.95 -0.19 0.00 1.01 -0.41 -1.15 120.40 122.54 2xa3 s VAL 89 Ca 0.14 1.55 -0.09 0.00 0.00 0.00 0.00 61.98 63.59 2xa3 s VAL 89 Cb 0.06 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2xa3 s VAL 89 CO -0.06 0.11 0.10 -0.31 0.00 0.00 0.00 175.10 174.95 2xa3 s TYR 90 N 1.63 3.35 -0.11 5.22 2.02 0.29 -0.89 117.35 128.85 2xa3 s TYR 90 Ca 0.38 0.23 0.02 0.00 -0.37 0.00 0.00 57.07 57.32 2xa3 s TYR 90 Cb -0.17 -2.12 -0.01 0.00 -0.40 0.00 0.00 41.96 39.25 2xa3 s TYR 90 CO 0.15 0.24 -0.17 0.71 -1.57 0.00 0.00 175.55 174.91 2xa3 s TYR 91 N 0.35 2.70 0.19 2.71 2.02 0.72 -0.66 117.35 125.37 2xa3 s TYR 91 Ca 0.06 -0.74 -0.15 0.00 -0.37 0.00 0.00 57.07 55.87 2xa3 s TYR 91 Cb -0.12 -1.77 -0.07 0.00 -0.40 0.00 0.00 41.96 39.60 2xa3 s TYR 91 CO -0.01 -0.25 0.59 0.00 -1.57 0.00 0.00 175.55 174.31 2xa3 s ALA 93 N -1.56 -0.03 0.03 0.00 0.00 -0.00 -0.40 121.76 119.79 2xa3 s ALA 93 Ca 0.41 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 2xa3 s ALA 93 Cb -0.14 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 2xa3 s ALA 93 CO 0.20 -0.48 0.01 0.00 0.00 0.00 0.00 175.76 175.49 2xa3 s ALA 94 N -3.88 0.11 -0.03 0.00 0.00 -0.07 -0.41 121.76 117.48 2xa3 s ALA 94 Ca 0.06 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.37 2xa3 s ALA 94 Cb 0.06 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.39 2xa3 s ALA 94 CO -0.11 -0.24 -0.01 0.21 0.00 0.00 0.00 175.76 175.61 2xa3 s LYS 95 N -2.17 0.42 0.24 0.00 2.20 -0.15 -1.22 119.74 119.07 2xa3 s LYS 95 Ca -0.09 0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.24 2xa3 s LYS 95 Cb -0.04 -0.55 -0.09 0.00 -1.51 0.00 0.00 37.83 35.64 2xa3 s LYS 95 CO -0.03 -0.11 1.16 -0.46 -0.36 0.00 0.00 175.35 175.56 2xa3 s TRP 96 N 0.92 3.45 -0.03 4.03 -0.00 -1.26 -0.77 118.94 125.27 2xa3 s TRP 96 Ca -0.10 1.55 0.01 0.00 -0.00 0.00 0.00 56.10 57.56 2xa3 s TRP 96 Cb -0.13 -3.39 0.01 0.00 -0.00 0.00 0.00 33.47 29.96 2xa3 s TRP 96 CO -0.01 -0.98 -0.05 1.03 -0.00 0.00 0.00 176.95 176.95 2xa3 s ARG 97 N -0.97 0.67 0.82 5.86 1.81 -0.86 -4.88 118.95 121.39 2xa3 s ARG 97 Ca 0.48 -0.12 -0.11 0.00 -1.72 0.00 0.00 55.73 54.26 2xa3 s ARG 97 Cb -0.33 -0.68 0.08 0.00 -0.45 0.00 0.00 34.95 33.57 2xa3 s ARG 97 CO 0.41 -0.01 1.09 -1.25 -0.68 0.00 0.00 175.30 174.85 2xa3 s PRO 98 N 0.58 1.92 0.48 3.54 0.04 -1.26 -4.43 135.00 135.86 2xa3 s PRO 98 Ca -0.07 0.80 -0.23 0.00 0.04 0.00 0.00 61.00 61.53 2xa3 s PRO 98 Cb -0.11 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 2xa3 s PRO 98 CO -0.00 -1.77 1.29 -1.17 0.04 0.00 0.00 177.00 175.38 2xa3 s LEU 99 N -5.92 4.00 0.13 -3.56 0.20 -1.26 -4.98 118.68 107.29 2xa3 s LEU 99 Ca 0.61 2.60 -0.25 0.00 0.69 0.00 0.00 54.13 57.78 2xa3 s LEU 99 Cb -0.16 -4.16 0.08 0.00 -0.43 0.00 0.00 46.19 41.52 2xa3 s LEU 99 CO 0.55 -1.17 1.09 -0.60 -0.29 0.00 0.00 176.35 175.93 2xa3 s ARG 100 N -2.66 1.05 -0.18 1.98 3.52 -1.26 -5.07 118.95 116.32 2xa3 s ARG 100 Ca 0.65 -0.65 -0.24 0.00 -0.13 0.00 0.00 55.73 55.36 2xa3 s ARG 100 Cb -0.36 0.31 -0.22 0.00 -1.56 0.00 0.00 34.95 33.12 2xa3 s ARG 100 CO 0.44 -0.49 0.43 -0.92 -0.81 0.00 0.00 175.30 173.95 2xa3 h TYR 100 N 2.00 0.00 -3.19 5.12 3.20 -2.04 -3.45 116.97 118.62 2xa3 h TYR 100 Ca -0.26 0.00 -0.55 0.00 3.14 0.00 0.00 58.73 61.06 2xa3 h TYR 100 Cb 1.21 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 2xa3 h TYR 100 CO 1.04 1.28 0.59 0.45 -1.64 0.00 0.00 178.16 179.89 2xa3 s SER 100 N -6.59 7.14 0.00 -2.11 0.15 -1.26 -4.92 113.70 106.11 2xa3 s SER 100 Ca -0.25 1.79 0.26 0.00 0.70 0.00 0.00 55.95 58.46 2xa3 s SER 100 Cb 0.02 -2.56 0.69 0.00 -1.71 0.00 0.00 66.02 62.46 2xa3 s SER 100 CO 0.62 -0.49 1.53 -0.67 1.20 0.00 0.00 173.24 175.44 2xa3 n ASP 100 N 4.67 1.54 -4.65 5.45 2.03 -1.26 -4.93 116.55 119.39 2xa3 n ASP 100 Ca 0.09 -1.30 -0.52 0.00 0.52 0.00 0.00 54.79 53.58 2xa3 n ASP 100 Cb 0.47 0.12 -0.06 0.00 -0.72 0.00 0.00 41.12 40.94 2xa3 n ASP 100 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2xa3 n ASN 100 N -0.07 2.40 -4.84 1.67 3.02 -1.26 -4.58 115.26 111.61 2xa3 n ASN 100 Ca 0.14 1.08 -0.32 0.00 -0.03 0.00 0.00 54.58 55.45 2xa3 n ASN 100 Cb 0.39 -1.25 -0.04 0.00 -0.61 0.00 0.00 39.78 38.28 2xa3 n ASN 100 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2xa3 s PRO 100 N 1.95 3.94 0.73 3.52 0.04 -1.26 -5.00 135.00 138.93 2xa3 s PRO 100 Ca 0.88 1.00 -0.13 0.00 0.04 0.00 0.00 61.00 62.79 2xa3 s PRO 100 Cb -0.89 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 31.55 2xa3 s PRO 100 CO 0.51 -0.28 1.12 -1.12 0.04 0.00 0.00 177.00 177.27 2xa3 s SER 100 N -2.93 4.61 -0.01 6.66 0.01 -1.26 -4.91 113.70 115.88 2xa3 s SER 100 Ca 0.60 1.98 0.02 0.00 1.31 0.00 0.00 55.95 59.86 2xa3 s SER 100 Cb -0.10 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.63 2xa3 s SER 100 CO 0.29 -1.96 1.04 -0.46 0.41 0.00 0.00 173.24 172.56 2xa3 n ASN 100 N -3.01 2.13 -3.75 2.44 0.23 -1.26 -4.80 115.26 107.24 2xa3 n ASN 100 Ca 0.10 -2.08 -0.10 0.00 -0.53 0.00 0.00 54.58 51.98 2xa3 n ASN 100 Cb 0.52 -0.05 -0.04 0.00 -2.08 0.00 0.00 39.78 38.13 2xa3 n ASN 100 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2xa3 s SER 100 N -1.13 -0.24 -1.33 0.53 1.04 -1.26 -4.76 113.70 106.56 2xa3 s SER 100 Ca 0.05 -0.50 -0.07 0.00 0.48 0.00 0.00 55.95 55.91 2xa3 s SER 100 Cb 0.03 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.73 2xa3 s SER 100 CO 0.02 -1.03 1.11 0.47 0.98 0.00 0.00 173.24 174.79 2xa3 n ASP 100 N -0.32 -4.94 -4.77 7.02 8.00 -1.26 -4.98 116.55 115.30 2xa3 n ASP 100 Ca -0.10 -0.59 -0.33 0.00 0.71 0.00 0.00 54.79 54.48 2xa3 n ASP 100 Cb 0.63 -4.95 0.04 0.00 -0.02 0.00 0.00 41.12 36.82 2xa3 n ASP 100 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2xa3 s TYR 100 N -3.34 2.66 -0.24 1.24 1.51 -1.26 -4.97 117.35 112.95 2xa3 s TYR 100 Ca 0.42 1.55 -0.00 0.00 -1.01 0.00 0.00 57.07 58.02 2xa3 s TYR 100 Cb -0.19 -3.16 -0.18 0.00 -0.11 0.00 0.00 41.96 38.32 2xa3 s TYR 100 CO 0.74 -1.63 -0.13 0.09 -1.11 0.00 0.00 175.55 173.51 2xa3 n ASN 101 N -2.34 2.00 -4.28 2.29 4.13 -0.37 -4.99 115.26 111.70 2xa3 n ASN 101 Ca 0.10 -0.06 -0.29 0.00 1.68 0.00 0.00 54.58 56.01 2xa3 n ASN 101 Cb 0.52 -0.50 -0.15 0.00 -1.54 0.00 0.00 39.78 38.10 2xa3 n ASN 101 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2xa3 s TYR 102 N -2.52 2.13 -0.00 3.10 2.02 -0.36 -4.98 117.35 116.73 2xa3 s TYR 102 Ca -0.33 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 55.98 2xa3 s TYR 102 Cb 0.09 -1.34 -0.00 0.00 -0.40 0.00 0.00 41.96 40.31 2xa3 s TYR 102 CO 0.62 0.01 -0.04 -1.58 -1.57 0.00 0.00 175.55 173.00 2xa3 s TRP 103 N -0.64 0.33 0.63 2.71 0.52 -1.26 -0.89 118.94 120.35 2xa3 s TRP 103 Ca 0.09 -0.07 -0.11 0.00 0.02 0.00 0.00 56.10 56.04 2xa3 s TRP 103 Cb -0.09 -0.22 0.15 0.00 -1.15 0.00 0.00 33.47 32.16 2xa3 s TRP 103 CO 0.00 -0.01 0.73 0.41 0.02 0.00 0.00 176.95 178.10 2xa3 n GLY 104 N 2.97 -1.85 0.08 0.98 0.00 0.47 -4.56 105.19 103.27 2xa3 n GLY 104 Ca -0.13 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.40 2xa3 n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xa3 n GLN 105 N -2.97 0.42 0.00 1.61 10.64 -1.26 -4.87 117.38 120.95 2xa3 n GLN 105 Ca 0.09 0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.34 2xa3 n GLN 105 Cb 0.34 -1.72 0.00 0.00 -0.86 0.00 0.00 30.24 28.00 2xa3 n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2xa3 n GLY 106 N 1.28 2.29 2.87 2.61 0.00 -1.26 -5.02 105.19 107.96 2xa3 n GLY 106 Ca 0.02 -1.74 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 2xa3 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2xa3 s THR 107 N -2.01 0.23 0.01 2.61 -1.32 0.17 -4.89 115.64 110.44 2xa3 s THR 107 Ca 0.00 -0.03 -0.30 0.00 -1.21 0.00 0.00 61.69 60.15 2xa3 s THR 107 Cb 0.00 -0.26 -0.04 0.00 -1.51 0.00 0.00 72.50 70.69 2xa3 s THR 107 CO 0.00 0.11 1.10 -1.58 -2.21 0.00 0.00 174.62 172.04 2xa3 s GLN 108 N 0.50 4.48 -0.14 7.08 2.00 -1.26 -0.55 119.66 131.76 2xa3 s GLN 108 Ca -0.05 1.59 0.02 0.00 -2.00 0.00 0.00 55.36 54.92 2xa3 s GLN 108 Cb -0.08 -3.43 0.01 0.00 0.80 0.00 0.00 33.01 30.31 2xa3 s GLN 108 CO -0.01 -0.19 -0.21 0.08 -0.50 0.00 0.00 175.29 174.46 2xa3 s VAL 109 N 1.20 2.20 -0.09 1.34 1.01 -0.30 -1.47 120.40 124.29 2xa3 s VAL 109 Ca 0.55 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2xa3 s VAL 109 Cb -0.25 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.26 2xa3 s VAL 109 CO 0.27 0.54 -0.16 -0.89 0.00 0.00 0.00 175.10 174.86 2xa3 s THR 110 N 0.75 1.50 -0.21 3.92 2.01 -0.43 -1.49 115.64 121.69 2xa3 s THR 110 Ca -0.08 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 2xa3 s THR 110 Cb -0.16 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 2xa3 s THR 110 CO -0.00 0.44 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.64 2xa3 s VAL 111 N 0.69 3.50 0.09 3.82 1.01 -1.26 -1.01 120.40 127.24 2xa3 s VAL 111 Ca -0.13 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2xa3 s VAL 111 Cb -0.16 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2xa3 s VAL 111 CO 0.03 0.43 0.19 -0.94 0.00 0.00 0.00 175.10 174.81 2xa3 s SER 112 N 1.28 6.09 0.00 3.32 1.04 -0.25 -4.62 113.70 120.56 2xa3 s SER 112 Ca 0.03 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2xa3 s SER 112 Cb -0.14 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.18 2xa3 s SER 112 CO -0.01 0.14 0.00 -1.20 0.98 0.00 0.00 173.24 173.14