#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 s ASN 1 N 0.00 6.36 0.00 7.83 -0.87 -1.26 -4.57 114.94 122.43 2a55 s ASN 1 Ca 0.00 1.13 0.26 0.00 -1.57 0.00 0.00 52.86 52.69 2a55 s ASN 1 Cb 0.00 -2.33 0.77 0.00 -0.02 0.00 0.00 41.25 39.67 2a55 s ASN 1 CO 0.00 -0.59 1.58 0.00 -2.57 0.00 0.00 177.10 175.52 2a55 n GLY 3 N 1.36 -1.44 3.63 0.00 0.00 -1.26 -4.11 105.19 103.36 2a55 n GLY 3 Ca 0.11 -1.53 -0.52 0.00 0.00 0.00 0.00 46.02 44.08 2a55 n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2a55 n PRO 4 N -0.94 1.29 -1.72 1.61 -0.02 -1.12 -4.79 135.00 129.31 2a55 n PRO 4 Ca 0.00 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 2a55 n PRO 4 Cb 0.00 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 2a55 n PRO 4 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2a55 n PRO 5 N 3.34 2.77 -0.26 0.52 -0.04 -1.26 -4.99 135.00 135.08 2a55 n PRO 5 Ca 0.20 1.00 -0.19 0.00 -0.04 0.00 0.00 63.50 64.46 2a55 n PRO 5 Cb 0.19 -2.84 0.19 0.00 -0.04 0.00 0.00 33.50 31.00 2a55 n PRO 5 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2a55 n PRO 6 N 3.82 -3.03 -3.50 0.54 -0.04 -1.26 -4.98 135.00 126.56 2a55 n PRO 6 Ca 0.15 -0.93 -0.37 0.00 -0.04 0.00 0.00 63.50 62.32 2a55 n PRO 6 Cb 0.35 -1.38 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 2a55 n PRO 6 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2a55 s THR 7 N -1.82 5.28 -0.39 0.52 -1.32 -1.26 -5.06 115.64 111.58 2a55 s THR 7 Ca 0.43 0.63 -0.09 0.00 -1.21 0.00 0.00 61.69 61.45 2a55 s THR 7 Cb -0.08 -3.67 0.06 0.00 -1.51 0.00 0.00 72.50 67.31 2a55 s THR 7 CO 0.36 0.39 0.22 -0.76 -2.21 0.00 0.00 174.62 172.61 2a55 s LEU 8 N 0.41 4.91 0.00 9.08 1.02 -1.26 -4.91 118.68 127.92 2a55 s LEU 8 Ca 0.19 -1.34 0.26 0.00 0.02 0.00 0.00 54.13 53.26 2a55 s LEU 8 Cb -0.13 -1.97 1.26 0.00 0.02 0.00 0.00 46.19 45.37 2a55 s LEU 8 CO 0.05 -0.47 1.86 -1.54 0.02 0.00 0.00 176.35 176.28 2a55 n SER 9 N 4.91 0.00 -0.95 2.29 3.41 -1.26 -2.29 113.62 119.73 2a55 n SER 9 Ca -0.11 0.02 0.12 0.00 -0.26 0.00 0.00 58.87 58.64 2a55 n SER 9 Cb 0.44 -0.32 0.12 0.00 -0.26 0.00 0.00 64.21 64.19 2a55 n SER 9 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2a55 n PHE 10 N -1.32 0.01 -2.69 7.33 -1.74 -1.26 -4.99 117.46 112.81 2a55 n PHE 10 Ca 0.11 -0.01 0.00 0.00 -0.56 0.00 0.00 57.45 57.00 2a55 n PHE 10 Cb 0.22 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.22 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a55 n ALA 11 N 1.31 0.00 -3.64 1.98 0.00 -0.97 -4.53 120.51 114.66 2a55 n ALA 11 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.49 2a55 n ALA 11 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 2a55 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a55 s ALA 12 N -1.39 -1.95 0.67 0.00 0.00 -1.10 -4.78 121.76 113.22 2a55 s ALA 12 Ca 0.00 1.97 -0.17 0.00 0.00 0.00 0.00 51.96 53.76 2a55 s ALA 12 Cb 0.00 -1.40 -0.06 0.00 0.00 0.00 0.00 23.12 21.66 2a55 s ALA 12 CO 0.00 -0.28 0.52 -2.30 0.00 0.00 0.00 175.76 173.70 2a55 n PRO 13 N 2.55 0.38 0.00 0.00 -0.02 -1.26 -1.93 135.00 134.72 2a55 n PRO 13 Ca -0.14 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2a55 n PRO 13 Cb 0.56 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 2a55 n PRO 13 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2a55 n MET 14 N -0.46 0.00 -3.13 -0.52 1.56 -1.13 -4.70 117.12 108.74 2a55 n MET 14 Ca 0.11 0.00 0.04 0.00 -0.27 0.00 0.00 57.70 57.57 2a55 n MET 14 Cb 0.49 -0.27 -0.00 0.00 2.15 0.00 0.00 33.22 35.59 2a55 n MET 14 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2a55 s ASP 15 N -1.39 -1.26 0.00 6.12 -1.08 -1.20 -4.97 116.67 112.89 2a55 s ASP 15 Ca 0.00 -0.06 0.00 0.00 -0.52 0.00 0.00 52.55 51.97 2a55 s ASP 15 Cb 0.00 1.74 0.00 0.00 -1.46 0.00 0.00 42.92 43.20 2a55 s ASP 15 CO 0.00 -0.21 0.00 0.00 0.52 0.00 0.00 175.17 175.48 2a55 n ILE 16 N 5.02 0.00 -2.66 4.11 0.00 -1.26 -2.37 119.36 122.21 2a55 n ILE 16 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 62.75 62.79 2a55 n ILE 16 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 39.64 40.17 2a55 n ILE 16 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2a55 n THR 17 N -0.02 -9.04 0.75 9.51 -2.24 -1.26 -4.69 114.28 107.28 2a55 n THR 17 Ca 0.00 1.94 0.00 0.00 -2.27 0.00 0.00 64.05 63.72 2a55 n THR 17 Cb 0.00 -5.10 0.00 0.00 -2.10 0.00 0.00 70.33 63.13 2a55 n THR 17 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2a55 n LEU 18 N 1.98 1.82 0.00 3.22 7.99 -1.26 -3.72 117.00 127.03 2a55 n LEU 18 Ca -0.23 -0.91 0.12 0.00 -0.01 0.00 0.00 56.01 54.97 2a55 n LEU 18 Cb 0.36 -0.37 0.58 0.00 -0.11 0.00 0.00 43.42 43.88 2a55 n LEU 18 CO 0.22 0.32 0.88 0.35 -1.51 0.00 0.00 177.39 177.65 2a55 n THR 19 N 0.49 0.27 -4.31 -5.08 -2.24 -1.26 -4.75 114.28 97.39 2a55 n THR 19 Ca 0.00 0.07 -0.26 0.00 -2.27 0.00 0.00 64.05 61.59 2a55 n THR 19 Cb 0.32 -0.68 -0.09 0.00 -2.10 0.00 0.00 70.33 67.78 2a55 n THR 19 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2a55 s GLU 20 N -2.61 2.07 -0.02 -0.78 0.41 -1.24 -5.04 118.70 111.48 2a55 s GLU 20 Ca 0.21 -1.36 0.09 0.00 -0.41 0.00 0.00 54.97 53.50 2a55 s GLU 20 Cb 0.16 -2.11 -0.14 0.00 -1.78 0.00 0.00 34.13 30.26 2a55 s GLU 20 CO 0.37 0.41 0.18 2.41 -0.49 0.00 0.00 175.26 178.13 2a55 n THR 21 N -0.25 0.05 -4.34 3.63 -1.04 -1.26 -5.01 114.28 106.06 2a55 n THR 21 Ca -0.09 -0.22 -0.24 0.00 -2.04 0.00 0.00 64.05 61.46 2a55 n THR 21 Cb 0.57 0.20 -0.13 0.00 -1.82 0.00 0.00 70.33 69.15 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2a55 s ARG 22 N -2.59 1.17 -0.15 -2.82 0.52 -1.26 -2.78 118.95 111.04 2a55 s ARG 22 Ca -0.03 -1.15 -0.04 0.00 -0.52 0.00 0.00 55.73 53.99 2a55 s ARG 22 Cb 0.05 -1.44 0.07 0.00 0.52 0.00 0.00 34.95 34.16 2a55 s ARG 22 CO 0.37 0.34 0.21 -0.06 0.02 0.00 0.00 175.30 176.18 2a55 s PHE 23 N -1.11 -0.27 1.14 -0.53 0.40 -1.26 -5.05 117.98 111.29 2a55 s PHE 23 Ca 0.07 0.50 -0.18 0.00 -0.60 0.00 0.00 56.93 56.73 2a55 s PHE 23 Cb -0.10 -0.26 0.16 0.00 0.51 0.00 0.00 43.02 43.33 2a55 s PHE 23 CO 0.04 -0.45 0.20 0.36 0.70 0.00 0.00 175.22 176.07 2a55 n LYS 24 N 5.33 -2.05 0.00 0.44 2.85 -1.26 -4.06 118.16 119.41 2a55 n LYS 24 Ca -0.05 -0.59 0.06 0.00 -1.05 0.00 0.00 58.31 56.67 2a55 n LYS 24 Cb 0.50 -1.72 0.27 0.00 -0.65 0.00 0.00 35.03 33.43 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2a55 n THR 25 N -4.60 0.88 -1.10 0.58 -2.24 -1.26 -1.75 114.28 104.79 2a55 n THR 25 Ca 0.02 0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 62.01 2a55 n THR 25 Cb 0.58 -1.03 0.28 0.00 -2.10 0.00 0.00 70.33 68.05 2a55 n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a55 n GLY 26 N -0.33 3.99 3.95 3.38 0.00 -1.26 -4.06 105.19 110.86 2a55 n GLY 26 Ca 0.05 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 2a55 n GLY 26 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a55 s THR 27 N -3.00 4.57 -0.29 2.61 -1.32 -0.72 -5.01 115.64 112.48 2a55 s THR 27 Ca 0.50 -1.07 -0.13 0.00 -1.21 0.00 0.00 61.69 59.77 2a55 s THR 27 Cb 0.41 -3.58 0.12 0.00 -1.51 0.00 0.00 72.50 67.94 2a55 s THR 27 CO 0.10 -0.25 0.73 -0.89 -2.21 0.00 0.00 174.62 172.09 2a55 s THR 28 N -2.10 -0.51 0.10 5.08 2.01 -1.25 -3.55 115.64 115.42 2a55 s THR 28 Ca 0.39 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.33 2a55 s THR 28 Cb -0.09 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 2a55 s THR 28 CO 0.29 0.00 0.34 -0.76 -0.69 0.00 0.00 174.62 173.80 2a55 s LEU 29 N 2.28 4.31 -0.19 4.42 1.02 -0.80 -4.94 118.68 124.77 2a55 s LEU 29 Ca -0.07 0.57 -0.13 0.00 0.02 0.00 0.00 54.13 54.52 2a55 s LEU 29 Cb -0.08 -3.10 -0.05 0.00 0.02 0.00 0.00 46.19 42.98 2a55 s LEU 29 CO -0.19 0.12 0.27 -0.54 0.02 0.00 0.00 176.35 176.03 2a55 s LYS 30 N -2.37 4.19 0.03 1.70 1.02 -1.00 -3.78 119.74 119.53 2a55 s LYS 30 Ca 0.37 0.00 0.04 0.00 0.02 0.00 0.00 55.97 56.39 2a55 s LYS 30 Cb -0.13 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 2a55 s LYS 30 CO 0.23 0.13 -0.11 0.71 -0.92 0.00 0.00 175.35 175.39 2a55 s TYR 31 N 0.82 0.95 0.49 3.18 1.51 -1.26 -2.83 117.35 120.20 2a55 s TYR 31 Ca 0.14 -0.35 0.06 0.00 -1.01 0.00 0.00 57.07 55.92 2a55 s TYR 31 Cb -0.13 -0.57 0.00 0.00 -0.11 0.00 0.00 41.96 41.16 2a55 s TYR 31 CO 0.04 -0.00 0.34 -0.08 -1.11 0.00 0.00 175.55 174.74 2a55 s THR 32 N -0.87 2.01 -0.20 -0.71 -1.32 -0.81 -4.95 115.64 108.80 2a55 s THR 32 Ca -0.01 -1.51 -0.01 0.00 -1.21 0.00 0.00 61.69 58.95 2a55 s THR 32 Cb -0.07 -2.52 0.05 0.00 -1.51 0.00 0.00 72.50 68.44 2a55 s THR 32 CO 0.01 0.00 -0.03 0.00 -2.21 0.00 0.00 174.62 172.39 2a55 n LEU 34 N 4.85 -3.10 -4.67 0.00 4.77 -1.26 -4.76 117.00 112.83 2a55 n LEU 34 Ca -0.11 0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 56.06 2a55 n LEU 34 Cb 0.46 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 2a55 n LEU 34 CO 0.16 -4.13 1.43 -2.16 -1.33 0.00 0.00 177.39 171.35 2a55 s PRO 35 N -0.89 4.17 0.00 3.23 0.04 -1.26 -3.32 135.00 136.98 2a55 s PRO 35 Ca 0.51 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.93 2a55 s PRO 35 Cb -0.47 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2a55 s PRO 35 CO 0.58 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 177.19 2a55 n GLY 36 N 4.20 3.09 0.00 0.56 0.00 -1.26 -5.07 105.19 106.71 2a55 n GLY 36 Ca 0.18 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2a55 n GLY 36 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2a55 n TYR 37 N 0.00 0.00 -3.61 1.61 4.01 -1.21 -4.78 117.16 113.18 2a55 n TYR 37 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 2a55 n TYR 37 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 2a55 n TYR 37 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2a55 s VAL 38 N 0.00 3.64 -0.04 -0.72 1.01 -1.26 -4.81 120.40 118.21 2a55 s VAL 38 Ca 0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 61.98 60.69 2a55 s VAL 38 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2a55 s VAL 38 CO 0.00 -0.14 0.26 0.54 0.00 0.00 0.00 175.10 175.76 2a55 n ARG 39 N -1.52 0.00 0.00 2.72 5.12 -1.26 -3.25 116.66 118.47 2a55 n ARG 39 Ca -0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2a55 n ARG 39 Cb 0.59 -0.30 0.00 0.00 -1.16 0.00 0.00 32.46 31.59 2a55 n ARG 39 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2a55 n SER 40 N 0.51 0.00 -4.31 0.55 2.88 -1.26 -4.42 113.62 107.57 2a55 n SER 40 Ca 0.05 0.00 -0.61 0.00 -1.33 0.00 0.00 58.87 56.98 2a55 n SER 40 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2a55 n SER 40 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2a55 n HIS 41 N 0.00 1.45 -1.00 0.66 8.25 -0.66 -0.57 115.22 123.35 2a55 n HIS 41 Ca 0.00 0.95 0.00 0.00 -0.26 0.00 0.00 57.72 58.41 2a55 n HIS 41 Cb 0.00 -2.13 0.00 0.00 1.12 0.00 0.00 29.99 28.98 2a55 n HIS 41 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2a55 n SER 42 N 4.98 0.00 -0.74 0.41 7.64 -1.09 -4.75 113.62 120.06 2a55 n SER 42 Ca 0.37 -0.50 -0.09 0.00 1.01 0.00 0.00 58.87 59.67 2a55 n SER 42 Cb -0.05 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.14 2a55 n SER 42 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2a55 n THR 43 N 0.00 0.20 -1.94 0.44 -2.24 0.79 -4.41 114.28 107.13 2a55 n THR 43 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2a55 n THR 43 Cb 0.18 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 2a55 n THR 43 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2a55 n GLN 44 N 0.20 0.00 -1.36 -0.78 7.27 -1.26 -4.91 117.38 116.54 2a55 n GLN 44 Ca 0.03 -0.04 0.18 0.00 0.07 0.00 0.00 57.00 57.24 2a55 n GLN 44 Cb 0.03 -0.04 -0.05 0.00 2.41 0.00 0.00 30.24 32.59 2a55 n GLN 44 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2a55 n THR 45 N 0.00 0.00 -3.84 1.69 -2.24 -1.26 -4.74 114.28 103.88 2a55 n THR 45 Ca 0.00 0.18 -0.36 0.00 -2.27 0.00 0.00 64.05 61.60 2a55 n THR 45 Cb 0.50 -0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 67.97 2a55 n THR 45 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2a55 s LEU 46 N -6.78 3.88 0.12 3.22 1.02 -1.25 -4.70 118.68 114.20 2a55 s LEU 46 Ca 0.00 -1.05 0.09 0.00 0.02 0.00 0.00 54.13 53.19 2a55 s LEU 46 Cb 0.00 -1.78 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 2a55 s LEU 46 CO 0.00 -0.24 -0.20 -0.89 0.02 0.00 0.00 176.35 175.04 2a55 s THR 47 N 1.36 2.73 -0.32 5.49 2.01 -1.26 -1.91 115.64 123.74 2a55 s THR 47 Ca -0.02 -1.56 -0.27 0.00 0.31 0.00 0.00 61.69 60.15 2a55 s THR 47 Cb -0.19 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.09 2a55 s THR 47 CO 0.00 0.09 0.98 0.00 -0.69 0.00 0.00 174.62 175.00 2a55 s ASN 49 N 1.64 4.82 -1.35 0.00 2.20 -1.24 -4.22 114.94 116.78 2a55 s ASN 49 Ca 0.41 -0.58 -0.06 0.00 -0.94 0.00 0.00 52.86 51.69 2a55 s ASN 49 Cb -0.13 0.05 0.10 0.00 -2.00 0.00 0.00 41.25 39.28 2a55 s ASN 49 CO 0.14 -1.52 2.40 -0.24 -2.94 0.00 0.00 177.10 174.94 2a55 n SER 50 N -2.48 7.80 0.00 3.54 2.88 -1.26 -3.52 113.62 120.58 2a55 n SER 50 Ca 0.15 -3.07 0.00 0.00 -1.33 0.00 0.00 58.87 54.61 2a55 n SER 50 Cb 0.61 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 2a55 n SER 50 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2a55 n ASP 51 N 2.18 0.00 -1.09 -3.46 9.92 -1.26 -4.99 116.55 117.86 2a55 n ASP 51 Ca 0.62 -1.00 -0.14 0.00 -0.53 0.00 0.00 54.79 53.74 2a55 n ASP 51 Cb 0.26 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.68 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a55 n GLY 52 N 0.00 1.30 3.36 0.44 0.00 -1.23 -4.93 105.19 104.13 2a55 n GLY 52 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2a55 n GLY 52 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2a55 s GLU 53 N -3.13 1.37 -0.42 1.61 -1.05 -1.26 -4.41 118.70 111.41 2a55 s GLU 53 Ca 0.00 -1.64 -0.19 0.00 -0.15 0.00 0.00 54.97 52.99 2a55 s GLU 53 Cb 0.00 -1.04 0.02 0.00 -0.44 0.00 0.00 34.13 32.67 2a55 s GLU 53 CO 0.00 0.11 0.53 -1.58 0.95 0.00 0.00 175.26 175.27 2a55 s TRP 54 N -3.05 3.13 0.04 4.83 0.52 -1.26 -3.68 118.94 119.46 2a55 s TRP 54 Ca 0.24 -0.20 -0.08 0.00 0.02 0.00 0.00 56.10 56.09 2a55 s TRP 54 Cb 0.01 -3.09 -0.05 0.00 -1.15 0.00 0.00 33.47 29.19 2a55 s TRP 54 CO 0.08 -0.76 0.32 0.08 0.02 0.00 0.00 176.95 176.69 2a55 s VAL 55 N 2.45 5.21 0.00 4.03 1.01 -1.25 -5.00 120.40 126.85 2a55 s VAL 55 Ca 0.17 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2a55 s VAL 55 Cb -0.16 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2a55 s VAL 55 CO 0.16 0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.57 2a55 n TYR 56 N 0.96 0.00 -2.63 5.22 4.11 -1.26 -4.06 117.16 119.49 2a55 n TYR 56 Ca -0.09 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.59 2a55 n TYR 56 Cb 0.52 0.00 0.05 0.00 -0.00 0.00 0.00 39.34 39.91 2a55 n TYR 56 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 2a55 s ASN 57 N 0.00 5.14 0.33 9.48 0.01 -1.26 -5.05 114.94 123.59 2a55 s ASN 57 Ca 0.00 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 2a55 s ASN 57 Cb 0.00 -0.74 0.00 0.00 0.41 0.00 0.00 41.25 40.92 2a55 s ASN 57 CO 0.00 -1.25 0.00 0.35 -1.51 0.00 0.00 177.10 174.69 2a55 n THR 58 N -2.42 0.00 0.00 1.60 -2.24 -1.26 -4.46 114.28 105.51 2a55 n THR 58 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2a55 n THR 58 Cb 0.60 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 2a55 n THR 58 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2a55 n PHE 59 N -0.98 0.00 -3.65 4.78 1.16 0.26 -0.15 117.46 118.88 2a55 n PHE 59 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.44 2a55 n PHE 59 Cb 0.00 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.80 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 n ILE 61 N 0.66 0.00 -1.10 0.00 -5.35 -1.20 -4.73 119.36 107.64 2a55 n ILE 61 Ca -0.19 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2a55 n ILE 61 Cb 0.59 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a55 n TYR 62 N -1.75 -1.76 -3.21 4.28 4.19 -1.26 -4.83 117.16 112.81 2a55 n TYR 62 Ca 0.00 1.06 0.04 0.00 3.31 0.00 0.00 57.90 62.31 2a55 n TYR 62 Cb 0.00 -2.61 -0.02 0.00 0.49 0.00 0.00 39.34 37.20 2a55 n TYR 62 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2a55 s LYS 63 N -2.10 0.47 0.00 2.98 -2.85 -1.26 -4.85 119.74 112.14 2a55 s LYS 63 Ca 0.00 0.89 0.00 0.00 -1.00 0.00 0.00 55.97 55.86 2a55 s LYS 63 Cb 0.00 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 2a55 s LYS 63 CO 0.00 -0.46 0.00 2.89 0.10 0.00 0.00 175.35 177.88 2a55 n ARG 64 N 5.42 3.23 -4.24 1.78 0.00 -1.26 -2.85 116.66 118.74 2a55 n ARG 64 Ca -0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.67 2a55 n ARG 64 Cb 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 32.46 32.87 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a55 n ARG 66 N 0.01 1.80 -1.90 0.00 3.00 -1.26 -4.86 116.66 113.45 2a55 n ARG 66 Ca -0.12 0.65 -0.43 0.00 -0.00 0.00 0.00 57.85 57.96 2a55 n ARG 66 Cb 0.60 -2.50 -0.03 0.00 0.00 0.00 0.00 32.46 30.53 2a55 n ARG 66 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2a55 s HIS 67 N -1.26 1.68 0.61 -0.14 5.65 -1.26 -4.83 115.29 115.73 2a55 s HIS 67 Ca 0.67 0.42 0.27 0.00 0.25 0.00 0.00 55.06 56.68 2a55 s HIS 67 Cb -0.45 -4.04 1.35 0.00 -1.18 0.00 0.00 32.58 28.26 2a55 s HIS 67 CO 0.53 -3.60 1.76 -1.00 -0.65 0.00 0.00 174.74 171.78 2a55 h PRO 68 N 12.34 0.00 0.00 2.88 0.13 -1.98 -3.47 132.00 141.90 2a55 h PRO 68 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2a55 h PRO 68 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2a55 h PRO 68 CO 0.99 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.17 2a55 n GLY 69 N -1.48 0.25 2.51 1.56 0.00 -1.26 -4.74 105.19 102.02 2a55 n GLY 69 Ca 0.08 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 2a55 n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2a55 n GLU 70 N 0.49 0.00 -3.43 1.61 4.07 -1.26 -4.75 120.64 117.37 2a55 n GLU 70 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 2a55 n GLU 70 Cb 0.00 -0.75 -0.08 0.00 -0.06 0.00 0.00 31.44 30.56 2a55 n GLU 70 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2a55 s LEU 71 N 2.60 5.66 0.10 4.31 2.96 -1.26 -4.91 118.68 128.14 2a55 s LEU 71 Ca 0.46 -1.53 -0.31 0.00 -0.22 0.00 0.00 54.13 52.53 2a55 s LEU 71 Cb -0.62 -2.13 -0.09 0.00 0.50 0.00 0.00 46.19 43.86 2a55 s LEU 71 CO 0.44 -0.68 1.65 -0.60 -1.32 0.00 0.00 176.35 175.84 2a55 s ARG 72 N 1.55 4.20 -0.35 1.98 3.52 -1.26 -0.83 118.95 127.76 2a55 s ARG 72 Ca 0.04 2.36 0.00 0.00 -0.13 0.00 0.00 55.73 58.00 2a55 s ARG 72 Cb -0.26 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.64 2a55 s ARG 72 CO 0.04 -0.71 0.00 0.09 -0.81 0.00 0.00 175.30 173.91 2a55 n ASN 73 N 5.22 -3.62 -0.62 -2.12 5.03 -1.26 -4.61 115.26 113.29 2a55 n ASN 73 Ca 0.16 0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.69 2a55 n ASN 73 Cb 0.40 -1.41 0.00 0.00 -1.02 0.00 0.00 39.78 37.75 2a55 n ASN 73 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a55 n GLY 74 N -2.30 3.14 3.02 7.41 0.00 -0.01 -1.26 105.19 115.18 2a55 n GLY 74 Ca -0.03 -1.15 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 2a55 n GLY 74 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2a55 s GLN 75 N -0.85 0.83 -0.44 1.61 -2.07 -0.82 -4.62 119.66 113.29 2a55 s GLN 75 Ca 0.00 -0.32 -0.12 0.00 -1.82 0.00 0.00 55.36 53.10 2a55 s GLN 75 Cb 0.00 -0.79 0.07 0.00 -1.09 0.00 0.00 33.01 31.20 2a55 s GLN 75 CO 0.00 0.17 0.32 0.08 -1.32 0.00 0.00 175.29 174.54 2a55 s VAL 76 N -0.06 4.71 -0.64 3.63 1.01 -1.26 -3.00 120.40 124.79 2a55 s VAL 76 Ca 0.01 -1.23 -0.27 0.00 0.00 0.00 0.00 61.98 60.49 2a55 s VAL 76 Cb -0.05 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.52 2a55 s VAL 76 CO -0.00 -0.54 1.19 -0.70 0.00 0.00 0.00 175.10 175.05 2a55 s GLU 77 N 1.53 3.35 -0.68 2.72 2.56 -1.16 -4.96 118.70 122.07 2a55 s GLU 77 Ca 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.97 54.91 2a55 s GLU 77 Cb -0.24 -4.09 0.18 0.00 2.00 0.00 0.00 34.13 31.98 2a55 s GLU 77 CO 0.04 -1.84 0.52 0.42 -0.56 0.00 0.00 175.26 173.84 2a55 s ILE 78 N 5.10 4.14 -0.39 -3.70 -1.09 -1.26 -4.31 121.20 119.70 2a55 s ILE 78 Ca 0.38 -2.88 0.12 0.00 -2.23 0.00 0.00 60.65 56.04 2a55 s ILE 78 Cb -0.09 -3.66 0.32 0.00 -1.58 0.00 0.00 42.46 37.46 2a55 s ILE 78 CO 0.20 -0.92 1.25 2.29 -1.23 0.00 0.00 174.94 176.53 2a55 n LYS 79 N 3.56 2.66 -0.03 2.79 0.00 -1.26 -4.47 118.16 121.41 2a55 n LYS 79 Ca 0.09 -2.29 0.00 0.00 -0.00 0.00 0.00 58.31 56.11 2a55 n LYS 79 Cb 0.40 -1.44 0.00 0.00 -0.00 0.00 0.00 35.03 33.98 2a55 n LYS 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 80 N -0.31 0.00 -0.99 0.58 -2.24 -1.26 -4.97 114.28 105.09 2a55 n THR 80 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2a55 n THR 80 Cb 0.58 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 2a55 n THR 80 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2a55 n ASP 81 N 0.00 -5.93 -2.33 3.42 8.00 -1.26 -1.55 116.55 116.90 2a55 n ASP 81 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 2a55 n ASP 81 Cb 0.51 -3.48 0.04 0.00 -0.02 0.00 0.00 41.12 38.17 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2a55 n LEU 82 N 0.00 -3.37 -4.70 0.64 4.32 -1.26 -4.56 117.00 108.06 2a55 n LEU 82 Ca 0.00 -0.34 -0.41 0.00 -0.02 0.00 0.00 56.01 55.24 2a55 n LEU 82 Cb 0.49 -1.90 -0.04 0.00 -1.62 0.00 0.00 43.42 40.35 2a55 n LEU 82 CO 0.00 0.15 0.50 -0.94 -1.22 0.00 0.00 177.39 175.88 2a55 s SER 83 N -3.53 7.04 0.19 -1.43 1.04 -0.59 -2.37 113.70 114.05 2a55 s SER 83 Ca 0.09 1.26 -0.26 0.00 0.48 0.00 0.00 55.95 57.52 2a55 s SER 83 Cb -0.01 -2.45 -0.16 0.00 0.10 0.00 0.00 66.02 63.50 2a55 s SER 83 CO 0.38 -0.22 0.47 0.33 0.98 0.00 0.00 173.24 175.18 2a55 n PHE 84 N 4.23 -0.52 -1.33 5.02 -0.00 -1.13 -3.70 117.46 120.03 2a55 n PHE 84 Ca 0.02 0.89 0.00 0.00 -0.00 0.00 0.00 57.45 58.36 2a55 n PHE 84 Cb 0.51 -1.83 0.00 0.00 -0.00 0.00 0.00 39.48 38.16 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2a55 n GLY 85 N 1.88 0.50 0.00 7.13 0.00 -1.23 -4.69 105.19 108.78 2a55 n GLY 85 Ca 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2a55 n GLY 85 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a55 n SER 86 N -0.52 1.56 0.00 1.61 2.88 -1.24 -5.04 113.62 112.86 2a55 n SER 86 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2a55 n SER 86 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 2a55 n SER 86 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a55 n GLN 87 N 0.00 0.00 -4.00 -1.46 -0.00 -1.25 -4.22 117.38 106.45 2a55 n GLN 87 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.69 2a55 n GLN 87 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 30.24 30.09 2a55 n GLN 87 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 2a55 s ILE 88 N -2.00 2.09 0.97 -0.39 -4.36 -0.93 -4.88 121.20 111.70 2a55 s ILE 88 Ca 0.00 -2.03 -0.11 0.00 -0.26 0.00 0.00 60.65 58.25 2a55 s ILE 88 Cb 0.00 -2.45 0.18 0.00 1.25 0.00 0.00 42.46 41.44 2a55 s ILE 88 CO 0.00 -0.44 1.10 -0.70 0.24 0.00 0.00 174.94 175.14 2a55 s GLU 89 N 1.04 0.59 0.04 0.37 2.12 -1.26 -4.01 118.70 117.59 2a55 s GLU 89 Ca 0.05 1.22 0.02 0.00 0.36 0.00 0.00 54.97 56.62 2a55 s GLU 89 Cb -0.19 -1.70 -0.02 0.00 0.26 0.00 0.00 34.13 32.47 2a55 s GLU 89 CO -0.09 -2.81 -0.08 -0.06 -0.54 0.00 0.00 175.26 171.68 2a55 s PHE 90 N -2.66 0.68 -0.13 5.30 0.08 -1.11 -2.98 117.98 117.17 2a55 s PHE 90 Ca 0.66 -0.46 -0.01 0.00 0.12 0.00 0.00 56.93 57.24 2a55 s PHE 90 Cb -0.22 -0.41 0.03 0.00 -0.57 0.00 0.00 43.02 41.85 2a55 s PHE 90 CO 0.60 -0.07 -0.05 -1.12 -0.10 0.00 0.00 175.22 174.48 2a55 s SER 91 N -1.46 2.33 -0.23 1.36 0.01 -1.16 -4.94 113.70 109.61 2a55 s SER 91 Ca -0.08 -0.41 -0.27 0.00 1.31 0.00 0.00 55.95 56.50 2a55 s SER 91 Cb -0.09 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.36 2a55 s SER 91 CO 0.00 -0.16 0.94 0.00 0.41 0.00 0.00 173.24 174.43 2a55 n SER 93 N 6.12 -2.59 -4.42 0.00 7.64 -0.39 -4.66 113.62 115.32 2a55 n SER 93 Ca 0.09 -0.08 -0.38 0.00 1.01 0.00 0.00 58.87 59.51 2a55 n SER 93 Cb 0.47 -0.82 0.04 0.00 -1.01 0.00 0.00 64.21 62.89 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2a55 n GLU 94 N -0.68 0.38 0.00 1.43 2.13 -1.26 -1.78 120.64 120.86 2a55 n GLU 94 Ca -0.00 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2a55 n GLU 94 Cb 0.66 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.76 2a55 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a55 n GLY 95 N 1.90 1.25 3.58 8.31 0.00 -1.26 -4.91 105.19 114.06 2a55 n GLY 95 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2a55 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a55 s PHE 96 N 0.00 3.01 0.40 1.61 0.08 -0.74 -0.24 117.98 122.10 2a55 s PHE 96 Ca 0.00 -0.03 0.08 0.00 0.12 0.00 0.00 56.93 57.10 2a55 s PHE 96 Cb 0.00 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 2a55 s PHE 96 CO 0.00 0.26 0.38 -0.59 -0.10 0.00 0.00 175.22 175.17 2a55 s PHE 97 N -0.51 2.77 0.13 0.36 -0.71 -0.40 -4.01 117.98 115.61 2a55 s PHE 97 Ca 0.08 -0.43 -0.26 0.00 -1.04 0.00 0.00 56.93 55.28 2a55 s PHE 97 Cb -0.12 -2.10 -0.07 0.00 -1.21 0.00 0.00 43.02 39.52 2a55 s PHE 97 CO 0.02 -0.08 0.81 -1.17 -1.34 0.00 0.00 175.22 173.46 2a55 s LEU 98 N -4.12 4.55 -0.25 -1.99 1.98 -1.26 -3.40 118.68 114.18 2a55 s LEU 98 Ca 0.47 1.64 -0.08 0.00 -2.89 0.00 0.00 54.13 53.26 2a55 s LEU 98 Cb -0.05 -3.34 0.11 0.00 0.66 0.00 0.00 46.19 43.57 2a55 s LEU 98 CO 0.28 0.12 0.53 -0.63 -1.89 0.00 0.00 176.35 174.76 2a55 s ILE 99 N -0.71 -0.81 0.00 6.68 1.01 -1.01 -4.98 121.20 121.37 2a55 s ILE 99 Ca 0.38 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.12 2a55 s ILE 99 Cb -0.23 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.41 2a55 s ILE 99 CO 0.26 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.85 2a55 n GLY 100 N 5.41 1.81 0.00 6.18 0.00 -1.26 -0.40 105.19 116.93 2a55 n GLY 100 Ca -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2a55 n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a55 n SER 101 N 0.00 0.00 0.06 1.61 7.64 -1.26 -5.01 113.62 116.66 2a55 n SER 101 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 2a55 n SER 101 Cb 0.00 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.45 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2a55 n THR 102 N 0.00 1.53 -4.42 0.44 -2.24 -1.26 -4.56 114.28 103.78 2a55 n THR 102 Ca 0.00 0.55 -0.25 0.00 -2.27 0.00 0.00 64.05 62.08 2a55 n THR 102 Cb 0.00 -1.53 -0.10 0.00 -2.10 0.00 0.00 70.33 66.59 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a55 s THR 103 N -3.21 2.57 -0.18 4.28 -4.23 -1.26 -2.74 115.64 110.87 2a55 s THR 103 Ca -0.00 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.33 2a55 s THR 103 Cb 0.03 -2.29 0.09 0.00 1.34 0.00 0.00 72.50 71.67 2a55 s THR 103 CO 0.11 -0.25 0.28 -0.44 -0.54 0.00 0.00 174.62 173.78 2a55 s SER 104 N -3.10 0.62 0.13 3.99 0.01 -1.26 -4.93 113.70 109.17 2a55 s SER 104 Ca 0.26 0.29 -0.07 0.00 1.31 0.00 0.00 55.95 57.74 2a55 s SER 104 Cb -0.07 0.71 -0.06 0.00 0.21 0.00 0.00 66.02 66.81 2a55 s SER 104 CO 0.13 -0.28 0.41 -0.13 0.41 0.00 0.00 173.24 173.78 2a55 s ARG 105 N 2.42 3.69 -0.37 12.44 0.52 -1.26 -2.19 118.95 134.20 2a55 s ARG 105 Ca 0.05 0.05 -0.17 0.00 -0.52 0.00 0.00 55.73 55.14 2a55 s ARG 105 Cb -0.14 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.47 2a55 s ARG 105 CO -0.11 0.48 0.44 0.00 0.02 0.00 0.00 175.30 176.13 2a55 s GLU 107 N 2.19 2.17 -0.03 0.00 2.12 -0.92 -3.54 118.70 120.69 2a55 s GLU 107 Ca 0.14 -1.94 0.00 0.00 0.36 0.00 0.00 54.97 53.54 2a55 s GLU 107 Cb -0.16 -1.89 0.03 0.00 0.26 0.00 0.00 34.13 32.37 2a55 s GLU 107 CO 0.13 -0.13 0.01 0.08 -0.54 0.00 0.00 175.26 174.81 2a55 s VAL 108 N -2.64 0.16 0.00 3.70 1.01 -1.26 0.13 120.40 121.49 2a55 s VAL 108 Ca 0.38 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.50 2a55 s VAL 108 Cb 0.05 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 36.20 2a55 s VAL 108 CO 0.21 0.15 0.91 0.00 0.00 0.00 0.00 175.10 176.37 2a55 n GLN 109 N 4.27 0.00 -3.00 2.72 10.64 -1.26 -4.87 117.38 125.88 2a55 n GLN 109 Ca -0.24 -0.89 -0.05 0.00 -1.83 0.00 0.00 57.00 53.99 2a55 n GLN 109 Cb 0.50 -0.31 0.02 0.00 -0.86 0.00 0.00 30.24 29.59 2a55 n GLN 109 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2a55 n ASP 110 N 0.05 -1.49 -0.96 2.61 8.00 -1.26 -5.01 116.55 118.49 2a55 n ASP 110 Ca -0.00 -1.97 0.01 0.00 0.71 0.00 0.00 54.79 53.54 2a55 n ASP 110 Cb 0.70 2.47 0.12 0.00 -0.02 0.00 0.00 41.12 44.39 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2a55 n ARG 111 N -0.42 2.11 -0.38 -1.24 1.85 -1.26 -3.57 116.66 113.75 2a55 n ARG 111 Ca -0.05 -0.94 0.00 0.00 -1.00 0.00 0.00 57.85 55.86 2a55 n ARG 111 Cb 0.41 -1.70 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2a55 n GLY 112 N 0.17 0.16 1.26 2.89 0.00 -1.26 -5.14 105.19 103.27 2a55 n GLY 112 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2a55 n GLY 112 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2a55 n VAL 113 N 0.00 -2.50 -4.79 1.61 0.31 -1.23 -4.82 118.33 106.91 2a55 n VAL 113 Ca 0.00 1.23 -0.27 0.00 -0.01 0.00 0.00 64.34 65.29 2a55 n VAL 113 Cb 0.60 -2.00 -0.15 0.00 -0.91 0.00 0.00 33.84 31.38 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2a55 s GLY 114 N -4.77 1.17 -0.23 2.92 0.00 0.12 -4.82 107.32 101.71 2a55 s GLY 114 Ca 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 44.72 43.50 2a55 s GLY 114 CO 0.00 -0.98 0.33 -0.98 0.00 0.00 0.00 173.10 171.48 2a55 s TRP 115 N -0.74 3.32 0.16 1.90 0.23 -1.26 -2.17 118.94 120.38 2a55 s TRP 115 Ca 0.09 0.46 -0.12 0.00 -2.03 0.00 0.00 56.10 54.50 2a55 s TRP 115 Cb -0.09 -2.48 0.03 0.00 0.03 0.00 0.00 33.47 30.96 2a55 s TRP 115 CO 0.01 -0.06 1.61 1.03 0.96 0.00 0.00 176.95 180.50 2a55 h SER 116 N 7.66 0.90 -2.80 2.95 0.87 -1.90 -3.46 113.55 117.76 2a55 h SER 116 Ca -0.35 -0.31 0.10 0.00 -1.23 0.00 0.00 61.79 60.01 2a55 h SER 116 Cb 1.16 -0.24 -0.28 0.00 -0.44 0.00 0.00 62.40 62.60 2a55 h SER 116 CO 0.68 0.98 0.52 -2.28 -0.53 0.00 0.00 176.83 176.20 2a55 s HIS 117 N -5.02 -0.41 0.00 2.24 5.65 -1.26 -5.03 115.29 111.46 2a55 s HIS 117 Ca -0.12 0.94 0.00 0.00 0.25 0.00 0.00 55.06 56.12 2a55 s HIS 117 Cb 0.12 0.37 0.00 0.00 -1.18 0.00 0.00 32.58 31.89 2a55 s HIS 117 CO 0.83 -0.20 0.00 -0.35 -0.65 0.00 0.00 174.74 174.37 2a55 n PRO 118 N 2.52 3.34 -1.70 2.88 -0.04 -1.26 -4.75 135.00 135.99 2a55 n PRO 118 Ca -0.14 0.00 -0.59 0.00 -0.04 0.00 0.00 63.50 62.73 2a55 n PRO 118 Cb 0.56 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.95 2a55 n PRO 118 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2a55 n LEU 119 N 0.00 1.96 0.00 1.53 7.99 -1.26 -4.96 117.00 122.26 2a55 n LEU 119 Ca 0.00 1.11 0.00 0.00 -0.01 0.00 0.00 56.01 57.11 2a55 n LEU 119 Cb 0.00 -1.08 0.00 0.00 -0.11 0.00 0.00 43.42 42.23 2a55 n LEU 119 CO 0.00 -0.65 0.00 -0.81 -1.51 0.00 0.00 177.39 174.42 2a55 n PRO 120 N 4.59 0.34 -3.74 3.23 -0.04 -1.26 -5.01 135.00 133.10 2a55 n PRO 120 Ca 0.26 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.36 2a55 n PRO 120 Cb 0.10 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.43 2a55 n PRO 120 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2a55 s GLN 121 N -0.84 3.71 -0.37 0.54 -0.21 0.47 -4.96 119.66 117.99 2a55 s GLN 121 Ca 0.00 -0.45 -0.12 0.00 0.02 0.00 0.00 55.36 54.81 2a55 s GLN 121 Cb 0.00 -3.37 0.02 0.00 1.00 0.00 0.00 33.01 30.66 2a55 s GLN 121 CO 0.00 -0.17 0.22 0.00 -2.12 0.00 0.00 175.29 173.23 2a55 s GLU 123 N 1.60 1.05 0.55 0.00 2.12 -1.22 -4.97 118.70 117.83 2a55 s GLU 123 Ca 0.03 -0.53 -0.17 0.00 0.36 0.00 0.00 54.97 54.67 2a55 s GLU 123 Cb -0.19 -1.02 -0.06 0.00 0.26 0.00 0.00 34.13 33.12 2a55 s GLU 123 CO 0.08 0.28 1.03 -1.50 -0.54 0.00 0.00 175.26 174.60 2a55 s ILE 124 N -0.42 4.03 -0.05 -3.70 2.07 -1.26 -1.27 121.20 120.60 2a55 s ILE 124 Ca 0.04 1.01 -0.06 0.00 -1.41 0.00 0.00 60.65 60.24 2a55 s ILE 124 Cb -0.06 -3.49 -0.03 0.00 0.13 0.00 0.00 42.46 39.01 2a55 s ILE 124 CO -0.00 -0.51 0.31 -0.07 -1.91 0.00 0.00 174.94 172.76 2a55 h LEU 125 N 0.78 -0.19 -9.81 8.50 3.38 -0.99 -3.47 115.31 113.52 2a55 h LEU 125 Ca -0.47 0.01 -0.57 0.00 0.09 0.00 0.00 57.88 56.94 2a55 h LEU 125 Cb 1.21 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 2a55 h LEU 125 CO 0.59 0.15 -0.55 -1.61 0.09 0.00 0.00 178.44 177.10 2a55 s GLU 126 N -2.24 2.98 -0.17 1.13 2.02 -1.26 -5.11 118.70 116.05 2a55 s GLU 126 Ca -0.03 -0.83 -0.08 0.00 0.02 0.00 0.00 54.97 54.04 2a55 s GLU 126 Cb 0.00 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 2a55 s GLU 126 CO 0.10 0.49 0.12 -1.58 0.02 0.00 0.00 175.26 174.41 2a55 s HIS 127 N -1.75 3.45 0.00 1.61 5.65 -1.26 -5.08 115.29 117.91 2a55 s HIS 127 Ca 0.31 0.36 0.00 0.00 0.25 0.00 0.00 55.06 55.99 2a55 s HIS 127 Cb -0.10 -2.06 0.00 0.00 -1.18 0.00 0.00 32.58 29.24 2a55 s HIS 127 CO 0.24 0.43 0.00 -2.39 -0.65 0.00 0.00 174.74 172.37 2a55 n HIS 128 N 2.95 0.00 -1.41 3.88 1.44 -1.26 -5.13 115.22 115.69 2a55 n HIS 128 Ca -0.18 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.17 2a55 n HIS 128 Cb 0.53 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.71 2a55 n HIS 128 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2a55 n HIS 129 N 0.00 0.05 -3.83 -1.40 8.25 -1.26 -5.01 115.22 112.02 2a55 n HIS 129 Ca 0.00 0.40 -0.07 0.00 -0.26 0.00 0.00 57.72 57.79 2a55 n HIS 129 Cb 0.00 -2.02 0.02 0.00 1.12 0.00 0.00 29.99 29.11 2a55 n HIS 129 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2a55 s HIS 130 N -1.75 0.09 0.00 4.41 2.46 -1.26 -5.03 115.29 114.21 2a55 s HIS 130 Ca 0.71 -0.67 0.00 0.00 0.47 0.00 0.00 55.06 55.57 2a55 s HIS 130 Cb -0.38 0.79 0.00 0.00 -0.13 0.00 0.00 32.58 32.86 2a55 s HIS 130 CO 0.52 -1.35 0.00 0.72 -2.47 0.00 0.00 174.74 172.16 2a55 n HIS 131 N -0.58 0.00 -0.53 3.88 8.25 -1.26 -5.35 115.22 119.63 2a55 n HIS 131 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2a55 n HIS 131 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2a55 n HIS 131 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56