#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 6.48 0.69 6.12 -0.87 -1.26 -0.29 114.94 125.80 2a55 s ASN 1 Ca 0.00 0.54 0.01 0.00 -1.57 0.00 0.00 52.86 51.83 2a55 s ASN 1 Cb 0.00 -2.08 0.11 0.00 -0.02 0.00 0.00 41.25 39.27 2a55 s ASN 1 CO 0.00 0.19 0.95 0.00 -2.57 0.00 0.00 177.10 175.67 2a55 s GLY 3 N -4.70 1.67 -0.12 0.00 0.00 -1.26 -4.02 107.32 98.90 2a55 s GLY 3 Ca 0.65 -0.39 -0.41 0.00 0.00 0.00 0.00 44.72 44.56 2a55 s GLY 3 CO 0.43 -0.22 1.24 -1.05 0.00 0.00 0.00 173.10 173.50 2a55 n PRO 4 N -1.88 0.13 -1.45 2.90 -0.02 -1.23 -4.85 135.00 128.59 2a55 n PRO 4 Ca 0.01 0.05 -0.37 0.00 -2.02 0.00 0.00 63.50 61.17 2a55 n PRO 4 Cb 0.55 -1.56 0.06 0.00 -0.02 0.00 0.00 33.50 32.52 2a55 n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2a55 n PRO 5 N 2.29 0.58 -2.30 0.52 -0.02 -1.26 -5.01 135.00 129.79 2a55 n PRO 5 Ca 0.23 0.24 -0.27 0.00 -2.02 0.00 0.00 63.50 61.68 2a55 n PRO 5 Cb 0.06 -1.98 0.16 0.00 -0.02 0.00 0.00 33.50 31.71 2a55 n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2a55 s PRO 6 N -2.71 0.98 -0.15 0.52 0.05 -1.26 -5.07 135.00 127.35 2a55 s PRO 6 Ca 0.72 -0.91 -0.13 0.00 0.05 0.00 0.00 61.00 60.72 2a55 s PRO 6 Cb -0.39 -2.09 -0.05 0.00 0.05 0.00 0.00 34.50 32.02 2a55 s PRO 6 CO 0.52 -2.04 0.28 0.99 0.05 0.00 0.00 177.00 176.79 2a55 s THR 7 N -3.54 5.31 0.10 1.26 2.01 -1.26 -5.08 115.64 114.43 2a55 s THR 7 Ca 0.72 0.52 0.00 0.00 0.31 0.00 0.00 61.69 63.24 2a55 s THR 7 Cb -0.03 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.87 2a55 s THR 7 CO 0.49 0.41 0.02 0.18 -0.69 0.00 0.00 174.62 175.04 2a55 n LEU 8 N 3.42 0.00 0.00 4.42 4.32 -1.26 -5.05 117.00 122.85 2a55 n LEU 8 Ca -0.13 -0.59 0.00 0.00 -0.02 0.00 0.00 56.01 55.27 2a55 n LEU 8 Cb 0.52 0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 2a55 n LEU 8 CO 0.39 -0.15 0.03 -1.54 -1.22 0.00 0.00 177.39 174.90 2a55 n SER 9 N -1.32 0.00 -0.68 -1.43 3.41 -1.26 -4.84 113.62 107.50 2a55 n SER 9 Ca -0.03 -1.00 0.04 0.00 -0.26 0.00 0.00 58.87 57.62 2a55 n SER 9 Cb 0.12 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.00 0.25 0.00 7.33 -1.74 -1.26 -4.88 117.46 117.17 2a55 n PHE 10 Ca 0.00 -1.46 0.00 0.00 -0.56 0.00 0.00 57.45 55.43 2a55 n PHE 10 Cb 0.31 -0.29 0.00 0.00 1.52 0.00 0.00 39.48 41.01 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 -1.14 0.00 -2.62 1.98 0.00 -1.26 -4.40 120.51 113.07 2a55 n ALA 11 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 2a55 n ALA 11 Cb 0.76 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.96 1.39 0.53 0.00 0.00 -0.56 -4.61 121.76 116.54 2a55 s ALA 12 Ca 0.00 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 50.75 2a55 s ALA 12 Cb 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.86 2a55 s ALA 12 CO 0.00 0.26 0.97 -2.30 0.00 0.00 0.00 175.76 174.69 2a55 n PRO 13 N 1.52 1.10 0.00 0.00 -0.02 -1.26 -0.40 135.00 135.94 2a55 n PRO 13 Ca -0.19 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2a55 n PRO 13 Cb 0.54 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 -0.49 0.02 0.00 -0.52 1.56 -1.26 -4.70 117.12 111.74 2a55 n MET 14 Ca 0.12 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.55 2a55 n MET 14 Cb 0.44 -0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.81 2a55 n MET 14 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2a55 n ASP 15 N 0.00 1.12 0.34 6.12 2.03 -1.26 -4.78 116.55 120.12 2a55 n ASP 15 Ca 0.00 0.00 0.23 0.00 0.52 0.00 0.00 54.79 55.54 2a55 n ASP 15 Cb 0.00 0.12 1.21 0.00 -0.72 0.00 0.00 41.12 41.73 2a55 n ASP 15 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2a55 h ILE 16 N 0.00 0.01 -5.76 5.18 2.10 -1.93 -3.47 117.51 113.64 2a55 h ILE 16 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 2a55 h ILE 16 Cb 0.21 1.01 -0.04 0.00 -1.09 0.00 0.00 36.82 36.91 2a55 h ILE 16 CO 0.00 0.00 -0.69 0.35 -1.08 0.00 0.00 178.15 176.73 2a55 n THR 17 N -3.09 -5.56 -2.01 2.19 -2.24 -1.26 -4.63 114.28 97.68 2a55 n THR 17 Ca -0.03 1.05 -0.27 0.00 -2.27 0.00 0.00 64.05 62.53 2a55 n THR 17 Cb 0.07 -4.12 -0.07 0.00 -2.10 0.00 0.00 70.33 64.12 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 2.02 2.94 0.00 3.22 7.99 -1.26 -3.86 117.00 128.05 2a55 n LEU 18 Ca -0.13 -3.12 0.00 0.00 -0.01 0.00 0.00 56.01 52.75 2a55 n LEU 18 Cb 0.26 -1.73 0.00 0.00 -0.11 0.00 0.00 43.42 41.84 2a55 n LEU 18 CO 0.16 -1.97 0.00 0.35 -1.51 0.00 0.00 177.39 174.42 2a55 n THR 19 N 7.89 0.00 -3.16 -5.08 -2.24 -1.26 -5.12 114.28 105.31 2a55 n THR 19 Ca 0.45 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 62.21 2a55 n THR 19 Cb 0.46 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 2a55 n THR 19 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a55 n GLU 20 N 0.00 1.11 0.00 -0.78 1.02 -1.25 -5.08 120.64 115.65 2a55 n GLU 20 Ca 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 2a55 n GLU 20 Cb 0.06 -0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 2a55 n GLU 20 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2a55 n THR 21 N -0.96 0.00 -4.43 2.62 -2.24 -1.26 -5.09 114.28 102.93 2a55 n THR 21 Ca 0.01 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.56 2a55 n THR 21 Cb 0.05 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 67.90 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2a55 s ARG 22 N -1.50 1.57 -0.19 -0.78 3.00 -1.26 -3.55 118.95 116.23 2a55 s ARG 22 Ca 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 55.73 54.00 2a55 s ARG 22 Cb 0.00 -1.62 0.09 0.00 0.00 0.00 0.00 34.95 33.42 2a55 s ARG 22 CO 0.00 0.30 0.20 -0.06 0.00 0.00 0.00 175.30 175.75 2a55 s PHE 23 N -2.48 -0.21 1.03 -0.53 0.40 -1.26 -4.96 117.98 109.97 2a55 s PHE 23 Ca 0.27 0.18 -0.17 0.00 -0.60 0.00 0.00 56.93 56.60 2a55 s PHE 23 Cb -0.04 -0.39 0.02 0.00 0.51 0.00 0.00 43.02 43.11 2a55 s PHE 23 CO 0.12 -0.57 -0.13 1.63 0.70 0.00 0.00 175.22 176.97 2a55 n LYS 24 N 5.31 -0.77 0.00 0.44 5.02 -1.26 -2.24 118.16 124.67 2a55 n LYS 24 Ca -0.06 -0.20 0.04 0.00 -2.02 0.00 0.00 58.31 56.08 2a55 n LYS 24 Cb 0.49 -1.59 0.22 0.00 -0.02 0.00 0.00 35.03 34.13 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2a55 n THR 25 N -3.80 1.02 0.47 -0.18 -2.24 0.60 -1.61 114.28 108.53 2a55 n THR 25 Ca 0.02 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.16 2a55 n THR 25 Cb 0.60 -1.10 -0.14 0.00 -2.10 0.00 0.00 70.33 67.59 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 -0.52 -1.01 3.57 3.38 0.00 -1.26 -4.02 105.19 105.32 2a55 n GLY 26 Ca 0.04 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.27 2.11 -0.29 2.61 -1.32 -0.64 -4.93 115.64 109.91 2a55 s THR 27 Ca -0.00 0.04 -0.14 0.00 -1.21 0.00 0.00 61.69 60.38 2a55 s THR 27 Cb 0.15 -2.19 0.11 0.00 -1.51 0.00 0.00 72.50 69.06 2a55 s THR 27 CO 0.89 -0.05 0.73 -0.89 -2.21 0.00 0.00 174.62 173.09 2a55 s THR 28 N -2.61 -0.41 0.02 5.08 2.01 -1.26 -3.87 115.64 114.61 2a55 s THR 28 Ca 0.67 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 62.46 2a55 s THR 28 Cb -0.23 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.22 2a55 s THR 28 CO 0.62 0.00 0.61 -0.76 -0.69 0.00 0.00 174.62 174.40 2a55 s LEU 29 N 2.14 4.45 -0.01 4.42 1.43 -0.14 -4.83 118.68 126.15 2a55 s LEU 29 Ca -0.08 1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 54.21 2a55 s LEU 29 Cb -0.08 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 2a55 s LEU 29 CO -0.19 0.14 0.43 0.50 0.23 0.00 0.00 176.35 177.46 2a55 h LYS 30 N 5.34 -0.12 -3.02 1.70 1.63 -1.91 -2.90 116.57 117.29 2a55 h LYS 30 Ca -0.46 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2a55 h LYS 30 Cb 1.20 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2a55 h LYS 30 CO 0.68 -0.08 -0.72 0.66 -3.45 0.00 0.00 179.45 176.53 2a55 n TYR 31 N -2.78 -3.57 -3.78 1.91 4.02 -1.26 -4.34 117.16 107.37 2a55 n TYR 31 Ca -0.02 1.88 -0.21 0.00 -0.01 0.00 0.00 57.90 59.54 2a55 n TYR 31 Cb 0.05 -3.07 -0.03 0.00 -0.02 0.00 0.00 39.34 36.26 2a55 n TYR 31 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2a55 s THR 32 N -2.56 3.47 -0.36 -0.72 -1.32 0.47 -4.82 115.64 109.80 2a55 s THR 32 Ca 0.00 -1.35 0.01 0.00 -1.21 0.00 0.00 61.69 59.13 2a55 s THR 32 Cb 0.00 -3.17 0.10 0.00 -1.51 0.00 0.00 72.50 67.92 2a55 s THR 32 CO 0.00 -0.16 0.11 0.00 -2.21 0.00 0.00 174.62 172.36 2a55 n LEU 34 N 4.43 0.32 -2.37 0.00 4.77 -1.26 -4.59 117.00 118.31 2a55 n LEU 34 Ca -0.01 0.27 -0.31 0.00 -0.03 0.00 0.00 56.01 55.93 2a55 n LEU 34 Cb 0.42 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 2a55 n LEU 34 CO 0.27 -0.40 0.34 -2.65 -1.33 0.00 0.00 177.39 173.62 2a55 n PRO 35 N 4.17 0.00 0.00 3.23 -0.02 -1.26 -2.79 135.00 138.33 2a55 n PRO 35 Ca 0.31 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2a55 n PRO 35 Cb -0.01 -0.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 2a55 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a55 n GLY 36 N 0.96 3.08 0.00 -1.23 0.00 -1.26 -5.07 105.19 101.67 2a55 n GLY 36 Ca 0.11 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.96 1.61 4.01 -1.12 -4.92 117.16 112.78 2a55 n TYR 37 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 2a55 n TYR 37 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 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 5.25 -0.09 -0.72 1.01 -1.26 -4.85 120.40 119.74 2a55 s VAL 38 Ca 0.00 -0.80 -0.40 0.00 0.00 0.00 0.00 61.98 60.78 2a55 s VAL 38 Cb 0.00 -3.74 -0.19 0.00 0.00 0.00 0.00 36.38 32.45 2a55 s VAL 38 CO 0.00 -0.16 1.29 0.54 0.00 0.00 0.00 175.10 176.77 2a55 n ARG 39 N -0.77 0.39 0.00 2.72 1.74 -1.26 -3.93 116.66 115.54 2a55 n ARG 39 Ca -0.08 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2a55 n ARG 39 Cb 0.55 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 2a55 n ARG 39 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2a55 n SER 40 N 2.54 0.00 -4.66 0.55 2.88 -1.26 -4.86 113.62 108.81 2a55 n SER 40 Ca 0.22 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.42 2a55 n SER 40 Cb 0.09 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.66 2a55 n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a55 n HIS 41 N 0.00 1.06 -0.11 0.66 1.44 -1.07 -3.84 115.22 113.36 2a55 n HIS 41 Ca 0.00 0.40 0.00 0.00 -2.01 0.00 0.00 57.72 56.11 2a55 n HIS 41 Cb 0.00 -2.10 0.00 0.00 0.12 0.00 0.00 29.99 28.01 2a55 n HIS 41 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2a55 n SER 42 N -2.59 0.00 -0.21 4.39 2.88 -1.26 -4.86 113.62 111.97 2a55 n SER 42 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2a55 n SER 42 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2a55 n THR 43 N 0.00 0.00 0.00 2.46 -1.04 -1.26 -4.98 114.28 109.46 2a55 n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2a55 n THR 43 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2a55 n THR 43 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2a55 n GLN 44 N 0.00 0.00 -3.74 -2.82 7.27 -1.26 -4.64 117.38 112.20 2a55 n GLN 44 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 2a55 n GLN 44 Cb 0.00 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.55 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2a55 s THR 45 N 0.00 0.01 -0.29 1.69 -4.23 -1.26 -4.58 115.64 106.98 2a55 s THR 45 Ca 0.00 -0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.46 2a55 s THR 45 Cb 0.00 -0.57 0.06 0.00 1.34 0.00 0.00 72.50 73.33 2a55 s THR 45 CO 0.00 -0.04 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.24 2a55 s LEU 46 N -0.04 3.84 0.17 4.79 1.02 -1.09 -4.78 118.68 122.59 2a55 s LEU 46 Ca -0.02 -1.49 0.08 0.00 0.02 0.00 0.00 54.13 52.72 2a55 s LEU 46 Cb -0.03 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.51 2a55 s LEU 46 CO 0.01 -0.25 -0.05 -0.89 0.02 0.00 0.00 176.35 175.19 2a55 s THR 47 N 1.12 3.47 -0.26 5.49 2.01 -1.26 -0.96 115.64 125.26 2a55 s THR 47 Ca -0.04 -1.49 -0.26 0.00 0.31 0.00 0.00 61.69 60.21 2a55 s THR 47 Cb -0.20 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.59 2a55 s THR 47 CO -0.04 -0.08 0.90 0.00 -0.69 0.00 0.00 174.62 174.71 2a55 s ASN 49 N 1.40 5.18 -1.39 0.00 2.20 -1.23 -4.17 114.94 116.92 2a55 s ASN 49 Ca 0.38 -0.76 -0.08 0.00 -0.94 0.00 0.00 52.86 51.46 2a55 s ASN 49 Cb -0.15 0.13 0.08 0.00 -2.00 0.00 0.00 41.25 39.31 2a55 s ASN 49 CO 0.09 -1.26 2.40 -0.24 -2.94 0.00 0.00 177.10 175.16 2a55 n SER 50 N -2.19 7.31 0.00 3.54 2.88 -1.26 -3.48 113.62 120.41 2a55 n SER 50 Ca 0.14 -2.98 0.00 0.00 -1.33 0.00 0.00 58.87 54.70 2a55 n SER 50 Cb 0.61 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 2a55 n SER 50 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2a55 n ASP 51 N 2.89 0.00 -1.17 -3.46 -0.08 -1.26 -4.99 116.55 108.48 2a55 n ASP 51 Ca 0.61 -1.00 -0.15 0.00 -1.51 0.00 0.00 54.79 52.74 2a55 n ASP 51 Cb 0.28 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.67 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2a55 n GLY 52 N 0.00 1.51 3.35 0.27 0.00 -1.23 -4.95 105.19 104.14 2a55 n GLY 52 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.25 1.47 -0.39 1.61 -1.05 -1.26 -4.13 118.70 111.70 2a55 s GLU 53 Ca 0.00 -1.80 -0.17 0.00 -0.15 0.00 0.00 54.97 52.85 2a55 s GLU 53 Cb 0.00 -0.44 0.01 0.00 -0.44 0.00 0.00 34.13 33.26 2a55 s GLU 53 CO 0.00 -0.26 0.43 -1.58 0.95 0.00 0.00 175.26 174.80 2a55 s TRP 54 N -3.62 3.18 0.06 4.83 0.52 -1.26 -3.52 118.94 119.12 2a55 s TRP 54 Ca 0.37 -0.18 -0.05 0.00 0.02 0.00 0.00 56.10 56.27 2a55 s TRP 54 Cb 0.08 -2.84 -0.05 0.00 -1.15 0.00 0.00 33.47 29.51 2a55 s TRP 54 CO 0.14 -0.60 0.29 0.08 0.02 0.00 0.00 176.95 176.88 2a55 s VAL 55 N 2.15 5.28 0.00 4.03 1.01 -1.24 -5.02 120.40 126.62 2a55 s VAL 55 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2a55 s VAL 55 Cb -0.17 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2a55 s VAL 55 CO 0.13 0.23 0.00 0.00 0.00 0.00 0.00 175.10 175.46 2a55 n TYR 56 N 0.66 0.00 -2.75 5.22 0.18 -1.26 -4.00 117.16 115.21 2a55 n TYR 56 Ca -0.07 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.50 2a55 n TYR 56 Cb 0.52 0.00 0.05 0.00 -0.38 0.00 0.00 39.34 39.53 2a55 n TYR 56 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 2a55 s ASN 57 N 0.00 5.18 -0.98 9.48 -0.87 -1.26 -5.04 114.94 121.45 2a55 s ASN 57 Ca 0.00 -0.25 -0.11 0.00 -1.57 0.00 0.00 52.86 50.93 2a55 s ASN 57 Cb 0.00 -0.55 0.25 0.00 -0.02 0.00 0.00 41.25 40.93 2a55 s ASN 57 CO 0.00 -1.20 0.95 -0.89 -2.57 0.00 0.00 177.10 173.38 2a55 s THR 58 N -2.73 5.74 0.00 1.60 2.01 -1.26 -4.91 115.64 116.09 2a55 s THR 58 Ca 0.59 -3.05 0.00 0.00 0.31 0.00 0.00 61.69 59.53 2a55 s THR 58 Cb -0.09 -4.49 0.00 0.00 0.01 0.00 0.00 72.50 67.93 2a55 s THR 58 CO 0.38 -1.11 0.00 2.22 -0.69 0.00 0.00 174.62 175.42 2a55 n PHE 59 N 3.21 0.00 -1.54 4.92 -1.74 -1.25 -4.47 117.46 116.59 2a55 n PHE 59 Ca 0.19 0.00 -0.38 0.00 -0.56 0.00 0.00 57.45 56.70 2a55 n PHE 59 Cb 0.42 0.00 0.04 0.00 1.52 0.00 0.00 39.48 41.47 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a55 n ILE 61 N -1.66 0.00 -1.13 0.00 -5.35 -1.25 -4.65 119.36 105.31 2a55 n ILE 61 Ca 0.13 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 2a55 n ILE 61 Cb 0.47 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 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 -1.84 -2.01 -3.15 4.28 4.19 -1.26 -4.75 117.16 112.62 2a55 n TYR 62 Ca 0.00 1.21 0.04 0.00 3.31 0.00 0.00 57.90 62.47 2a55 n TYR 62 Cb 0.00 -2.69 -0.01 0.00 0.49 0.00 0.00 39.34 37.13 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 -2.06 0.50 0.60 2.98 -2.85 -1.26 -4.86 119.74 112.79 2a55 s LYS 63 Ca 0.00 0.86 0.06 0.00 -1.00 0.00 0.00 55.97 55.89 2a55 s LYS 63 Cb 0.00 0.47 0.09 0.00 -2.06 0.00 0.00 37.83 36.33 2a55 s LYS 63 CO 0.00 -0.58 0.83 -0.98 0.10 0.00 0.00 175.35 174.72 2a55 s ARG 64 N 2.87 2.18 0.20 1.78 3.03 -1.26 -3.94 118.95 123.82 2a55 s ARG 64 Ca 0.17 -1.37 0.07 0.00 2.03 0.00 0.00 55.73 56.62 2a55 s ARG 64 Cb -0.14 -2.55 -0.04 0.00 -1.03 0.00 0.00 34.95 31.19 2a55 s ARG 64 CO -0.20 -0.97 0.11 0.00 -1.13 0.00 0.00 175.30 173.11 2a55 n ARG 66 N -0.60 2.21 -1.66 0.00 3.00 -1.26 -4.81 116.66 113.53 2a55 n ARG 66 Ca -0.08 0.78 -0.55 0.00 -0.00 0.00 0.00 57.85 58.00 2a55 n ARG 66 Cb 0.56 -2.53 -0.07 0.00 0.00 0.00 0.00 32.46 30.43 2a55 n ARG 66 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2a55 n HIS 67 N -0.06 1.84 -0.40 -0.14 -0.00 -1.26 -4.79 115.22 110.42 2a55 n HIS 67 Ca 0.05 0.57 0.35 0.00 -0.00 0.00 0.00 57.72 58.69 2a55 n HIS 67 Cb 0.40 -2.41 0.62 0.00 -0.00 0.00 0.00 29.99 28.60 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2a55 h PRO 68 N 6.19 0.05 0.00 1.57 0.13 -2.01 -3.47 132.00 134.46 2a55 h PRO 68 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2a55 h PRO 68 Cb 1.32 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2a55 h PRO 68 CO 0.89 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 2a55 n GLY 69 N -1.41 -2.88 3.72 1.56 0.00 -1.26 -4.67 105.19 100.25 2a55 n GLY 69 Ca 0.38 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 2a55 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a55 s GLU 70 N -0.45 4.52 -0.48 1.61 2.56 -1.26 -4.82 118.70 120.37 2a55 s GLU 70 Ca 0.00 1.19 -0.13 0.00 0.00 0.00 0.00 54.97 56.03 2a55 s GLU 70 Cb 0.00 -3.44 0.10 0.00 2.00 0.00 0.00 34.13 32.79 2a55 s GLU 70 CO 0.00 0.03 0.39 -1.17 -0.56 0.00 0.00 175.26 173.96 2a55 s LEU 71 N 0.79 5.74 0.08 2.70 2.96 -1.26 -4.92 118.68 124.77 2a55 s LEU 71 Ca 0.45 -1.63 -0.31 0.00 -0.22 0.00 0.00 54.13 52.43 2a55 s LEU 71 Cb -0.20 -2.12 -0.09 0.00 0.50 0.00 0.00 46.19 44.28 2a55 s LEU 71 CO 0.24 -0.71 1.80 -0.60 -1.32 0.00 0.00 176.35 175.76 2a55 s ARG 72 N 1.53 4.16 0.00 1.98 3.52 -1.26 0.21 118.95 129.08 2a55 s ARG 72 Ca 0.04 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 58.15 2a55 s ARG 72 Cb -0.26 -3.72 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 2a55 s ARG 72 CO 0.03 -0.83 0.00 0.09 -0.81 0.00 0.00 175.30 173.78 2a55 n ASN 73 N 6.07 -3.19 -2.85 -2.12 5.03 -1.26 -4.55 115.26 112.39 2a55 n ASN 73 Ca 0.18 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.48 2a55 n ASN 73 Cb 0.40 -0.86 -0.04 0.00 -1.02 0.00 0.00 39.78 38.25 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 -2.44 3.56 2.48 7.41 0.00 0.13 -0.74 105.19 115.58 2a55 n GLY 74 Ca 0.00 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 43.78 2a55 n GLY 74 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a55 s GLN 75 N -2.92 0.84 -0.38 1.61 -0.21 -0.48 -4.65 119.66 113.47 2a55 s GLN 75 Ca 0.14 -1.75 -0.40 0.00 0.02 0.00 0.00 55.36 53.37 2a55 s GLN 75 Cb 0.01 -1.16 -0.15 0.00 1.00 0.00 0.00 33.01 32.70 2a55 s GLN 75 CO 0.10 -1.34 1.99 0.28 -2.12 0.00 0.00 175.29 174.20 2a55 n VAL 76 N 3.17 0.16 -2.42 1.09 0.31 -1.26 -4.06 118.33 115.31 2a55 n VAL 76 Ca 0.24 -0.11 -0.41 0.00 -0.01 0.00 0.00 64.34 64.06 2a55 n VAL 76 Cb 0.47 -1.12 -0.03 0.00 -0.91 0.00 0.00 33.84 32.25 2a55 n VAL 76 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2a55 s GLU 77 N 5.04 3.15 -0.02 5.55 2.56 -1.13 -4.98 118.70 128.87 2a55 s GLU 77 Ca 1.08 0.14 0.08 0.00 0.00 0.00 0.00 54.97 56.27 2a55 s GLU 77 Cb -1.15 -4.19 -0.02 0.00 2.00 0.00 0.00 34.13 30.78 2a55 s GLU 77 CO 0.62 -2.15 -0.25 0.42 -0.56 0.00 0.00 175.26 173.34 2a55 s ILE 78 N 6.33 1.94 0.00 -3.70 -1.09 -1.26 -4.50 121.20 118.93 2a55 s ILE 78 Ca 0.46 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 2a55 s ILE 78 Cb -0.10 -1.61 0.00 0.00 -1.58 0.00 0.00 42.46 39.17 2a55 s ILE 78 CO 0.20 0.55 0.00 2.29 -1.23 0.00 0.00 174.94 176.75 2a55 n LYS 79 N 2.49 0.00 0.00 2.79 0.00 -1.26 -4.91 118.16 117.27 2a55 n LYS 79 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 2a55 n LYS 79 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.54 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 -2.12 0.00 -0.78 0.58 -2.24 -1.26 -4.79 114.28 103.68 2a55 n THR 80 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a55 n THR 80 Cb 0.00 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.23 -3.14 -2.59 3.42 8.00 -1.26 -2.60 116.55 118.14 2a55 n ASP 81 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2a55 n ASP 81 Cb 0.10 -2.90 0.05 0.00 -0.02 0.00 0.00 41.12 38.35 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 -4.12 -2.45 0.64 4.32 -1.26 -4.65 117.00 109.47 2a55 n LEU 82 Ca 0.00 -0.44 -0.22 0.00 -0.02 0.00 0.00 56.01 55.33 2a55 n LEU 82 Cb 0.26 -2.20 -0.11 0.00 -1.62 0.00 0.00 43.42 39.75 2a55 n LEU 82 CO 0.00 0.09 2.06 -1.54 -1.22 0.00 0.00 177.39 176.79 2a55 n SER 83 N -2.54 6.38 -0.91 -1.43 3.41 -1.07 -2.60 113.62 114.86 2a55 n SER 83 Ca -0.07 -2.65 0.12 0.00 -0.26 0.00 0.00 58.87 56.02 2a55 n SER 83 Cb 0.58 -1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.08 2a55 n SER 83 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2a55 n PHE 84 N 2.45 -2.30 -2.78 7.33 7.35 -1.25 -4.59 117.46 123.67 2a55 n PHE 84 Ca 0.53 1.16 -0.07 0.00 -0.76 0.00 0.00 57.45 58.31 2a55 n PHE 84 Cb 0.67 -2.08 -0.01 0.00 0.35 0.00 0.00 39.48 38.41 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2a55 n GLY 85 N -3.20 -0.49 3.78 7.13 0.00 -1.26 -4.88 105.19 106.27 2a55 n GLY 85 Ca -0.00 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2a55 n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a55 s SER 86 N -2.18 6.02 -0.18 1.61 1.04 -1.26 -4.98 113.70 113.77 2a55 s SER 86 Ca 0.12 0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.88 2a55 s SER 86 Cb -0.07 -1.94 -0.12 0.00 0.10 0.00 0.00 66.02 63.99 2a55 s SER 86 CO 0.15 0.33 -0.14 0.00 0.98 0.00 0.00 173.24 174.55 2a55 n GLN 87 N 2.51 0.54 -2.94 4.02 3.00 -1.19 -3.47 117.38 119.85 2a55 n GLN 87 Ca -0.19 0.09 -0.01 0.00 -0.01 0.00 0.00 57.00 56.89 2a55 n GLN 87 Cb 0.54 -1.36 -0.01 0.00 0.00 0.00 0.00 30.24 29.41 2a55 n GLN 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 2a55 n ILE 88 N -2.98 -5.66 -2.19 5.09 -5.35 -1.26 0.93 119.36 107.94 2a55 n ILE 88 Ca -0.31 1.05 -0.41 0.00 -0.27 0.00 0.00 62.75 62.81 2a55 n ILE 88 Cb 0.85 -4.22 -0.03 0.00 -1.74 0.00 0.00 39.64 34.49 2a55 n ILE 88 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2a55 s GLU 89 N -0.65 4.40 0.08 6.28 2.02 -1.24 -4.26 118.70 125.33 2a55 s GLU 89 Ca -0.07 2.10 -0.06 0.00 0.02 0.00 0.00 54.97 56.96 2a55 s GLU 89 Cb 0.00 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 31.04 2a55 s GLU 89 CO 0.30 -0.19 0.34 -0.06 0.02 0.00 0.00 175.26 175.67 2a55 s PHE 90 N -0.48 3.54 -0.15 1.61 0.08 -1.07 -2.84 117.98 118.66 2a55 s PHE 90 Ca 0.53 0.61 -0.00 0.00 0.12 0.00 0.00 56.93 58.19 2a55 s PHE 90 Cb -0.38 -2.03 0.03 0.00 -0.57 0.00 0.00 43.02 40.08 2a55 s PHE 90 CO 0.44 0.52 -0.07 -1.54 -0.10 0.00 0.00 175.22 174.46 2a55 s SER 91 N -2.04 2.69 -0.28 1.36 1.04 -1.26 -4.94 113.70 110.27 2a55 s SER 91 Ca 0.35 -0.57 -0.25 0.00 0.48 0.00 0.00 55.95 55.96 2a55 s SER 91 Cb -0.13 -0.95 0.00 0.00 0.10 0.00 0.00 66.02 65.04 2a55 s SER 91 CO 0.20 -0.15 0.85 0.00 0.98 0.00 0.00 173.24 175.13 2a55 n SER 93 N 6.23 -3.09 -4.31 0.00 3.41 0.08 -4.54 113.62 111.39 2a55 n SER 93 Ca 0.06 0.02 -0.39 0.00 -0.26 0.00 0.00 58.87 58.30 2a55 n SER 93 Cb 0.48 -0.78 0.02 0.00 -0.26 0.00 0.00 64.21 63.66 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2a55 n GLU 94 N 0.36 0.15 0.00 4.33 2.13 -1.26 -0.96 120.64 125.38 2a55 n GLU 94 Ca -0.00 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.88 2a55 n GLU 94 Cb 0.66 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 31.16 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 2.31 1.70 3.55 8.31 0.00 -1.26 -4.91 105.19 114.89 2a55 n GLY 95 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 2.98 0.37 1.61 0.08 -0.14 -0.81 117.98 122.07 2a55 s PHE 96 Ca 0.00 -0.12 0.08 0.00 0.12 0.00 0.00 56.93 57.01 2a55 s PHE 96 Cb 0.00 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 2a55 s PHE 96 CO 0.00 0.18 0.25 -0.59 -0.10 0.00 0.00 175.22 174.96 2a55 s PHE 97 N -0.34 2.75 0.11 0.36 -0.71 -0.59 -4.01 117.98 115.56 2a55 s PHE 97 Ca 0.05 -0.42 -0.23 0.00 -1.04 0.00 0.00 56.93 55.29 2a55 s PHE 97 Cb -0.12 -1.87 -0.07 0.00 -1.21 0.00 0.00 43.02 39.74 2a55 s PHE 97 CO 0.02 0.15 0.70 -1.17 -1.34 0.00 0.00 175.22 173.58 2a55 s LEU 98 N -3.97 4.54 -0.24 -1.99 1.98 -1.26 -3.09 118.68 114.64 2a55 s LEU 98 Ca 0.42 1.47 -0.11 0.00 -2.89 0.00 0.00 54.13 53.02 2a55 s LEU 98 Cb -0.03 -3.14 0.09 0.00 0.66 0.00 0.00 46.19 43.77 2a55 s LEU 98 CO 0.25 0.19 0.56 -0.63 -1.89 0.00 0.00 176.35 174.83 2a55 s ILE 99 N -0.91 -0.45 0.00 6.68 1.01 -0.81 -4.98 121.20 121.74 2a55 s ILE 99 Ca 0.34 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.05 2a55 s ILE 99 Cb -0.21 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.42 2a55 s ILE 99 CO 0.23 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.80 2a55 n GLY 100 N 4.89 2.56 0.00 6.18 0.00 -1.26 0.89 105.19 118.45 2a55 n GLY 100 Ca -0.16 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2a55 n GLY 100 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2a55 n SER 101 N 0.00 0.00 0.01 1.61 3.41 -1.26 -5.01 113.62 112.38 2a55 n SER 101 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 2a55 n SER 101 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2a55 n THR 102 N 0.00 1.87 -4.48 6.66 -2.24 -1.26 -4.53 114.28 110.31 2a55 n THR 102 Ca 0.00 0.51 -0.24 0.00 -2.27 0.00 0.00 64.05 62.05 2a55 n THR 102 Cb 0.00 -1.51 -0.10 0.00 -2.10 0.00 0.00 70.33 66.62 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 -2.99 2.27 -0.24 4.28 -4.23 -1.26 -2.61 115.64 110.85 2a55 s THR 103 Ca -0.00 -2.31 -0.05 0.00 -1.18 0.00 0.00 61.69 58.15 2a55 s THR 103 Cb 0.00 -2.39 0.12 0.00 1.34 0.00 0.00 72.50 71.58 2a55 s THR 103 CO 0.01 -0.35 0.46 -0.44 -0.54 0.00 0.00 174.62 173.75 2a55 s SER 104 N -3.51 -0.34 0.48 3.99 0.01 0.27 -5.00 113.70 109.59 2a55 s SER 104 Ca 0.30 0.79 0.01 0.00 1.31 0.00 0.00 55.95 58.36 2a55 s SER 104 Cb -0.02 1.49 0.01 0.00 0.21 0.00 0.00 66.02 67.71 2a55 s SER 104 CO 0.14 -0.26 0.70 -0.13 0.41 0.00 0.00 173.24 174.11 2a55 s ARG 105 N 2.66 2.86 -0.23 12.44 0.52 -1.23 -3.14 118.95 132.83 2a55 s ARG 105 Ca 0.06 -0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 54.61 2a55 s ARG 105 Cb -0.14 -2.55 0.02 0.00 0.52 0.00 0.00 34.95 32.80 2a55 s ARG 105 CO -0.16 -0.43 -0.07 0.00 0.02 0.00 0.00 175.30 174.67 2a55 s GLU 107 N 1.36 2.82 -0.28 0.00 2.12 -0.26 -4.60 118.70 119.86 2a55 s GLU 107 Ca 0.02 -1.08 -0.26 0.00 0.36 0.00 0.00 54.97 54.01 2a55 s GLU 107 Cb -0.16 -3.73 0.01 0.00 0.26 0.00 0.00 34.13 30.51 2a55 s GLU 107 CO -0.05 -0.70 0.93 0.08 -0.54 0.00 0.00 175.26 174.98 2a55 s VAL 108 N 1.55 4.70 -0.39 3.70 1.01 -1.26 -0.40 120.40 129.31 2a55 s VAL 108 Ca 0.02 1.59 0.11 0.00 0.00 0.00 0.00 61.98 63.70 2a55 s VAL 108 Cb -0.19 -4.25 0.37 0.00 0.00 0.00 0.00 36.38 32.31 2a55 s VAL 108 CO 0.07 -0.27 0.98 0.00 0.00 0.00 0.00 175.10 175.88 2a55 n GLN 109 N 6.39 1.05 0.00 2.72 10.64 -1.26 -4.88 117.38 132.03 2a55 n GLN 109 Ca 0.08 -2.70 0.00 0.00 -1.83 0.00 0.00 57.00 52.55 2a55 n GLN 109 Cb 0.47 -1.17 0.00 0.00 -0.86 0.00 0.00 30.24 28.69 2a55 n GLN 109 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2a55 n ASP 110 N 0.10 0.00 0.00 2.61 2.03 -1.26 -4.99 116.55 115.04 2a55 n ASP 110 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2a55 n ASP 110 Cb 0.73 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2a55 n ARG 111 N 0.00 0.00 -0.21 -0.67 1.85 -1.26 -4.97 116.66 111.39 2a55 n ARG 111 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.88 2a55 n ARG 111 Cb 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 31.46 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 0.00 1.73 1.10 2.89 0.00 -1.26 -5.12 105.19 104.53 2a55 n GLY 112 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.54 -3.53 -3.62 1.61 0.31 -1.26 -4.78 118.33 106.52 2a55 n VAL 113 Ca 0.05 1.51 -0.29 0.00 -0.01 0.00 0.00 64.34 65.60 2a55 n VAL 113 Cb 0.59 -2.15 -0.14 0.00 -0.91 0.00 0.00 33.84 31.23 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 -3.38 0.99 0.72 2.92 0.00 0.46 -4.85 107.32 104.18 2a55 s GLY 114 Ca 0.00 -1.74 -0.17 0.00 0.00 0.00 0.00 44.72 42.81 2a55 s GLY 114 CO 0.00 1.82 0.02 0.79 0.00 0.00 0.00 173.10 175.73 2a55 n TRP 115 N 4.53 -2.47 -0.07 1.90 7.02 -1.26 -1.10 117.44 125.99 2a55 n TRP 115 Ca 0.02 0.29 -0.09 0.00 -1.02 0.00 0.00 57.50 56.70 2a55 n TRP 115 Cb 0.40 -1.73 -0.07 0.00 -2.42 0.00 0.00 31.31 27.48 2a55 n TRP 115 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2a55 n SER 116 N 1.41 2.81 -3.69 -0.99 7.64 -1.15 -4.66 113.62 114.99 2a55 n SER 116 Ca 0.07 -0.06 -0.11 0.00 1.01 0.00 0.00 58.87 59.78 2a55 n SER 116 Cb 0.50 -0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.55 2a55 n SER 116 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2a55 s HIS 117 N -2.28 -0.65 0.00 1.43 5.65 -1.26 -5.07 115.29 113.11 2a55 s HIS 117 Ca -0.17 1.42 0.00 0.00 0.25 0.00 0.00 55.06 56.56 2a55 s HIS 117 Cb 0.05 0.30 0.00 0.00 -1.18 0.00 0.00 32.58 31.75 2a55 s HIS 117 CO 0.34 -0.35 0.00 -0.35 -0.65 0.00 0.00 174.74 173.74 2a55 n PRO 118 N 3.86 3.61 -1.62 2.88 -0.04 -1.26 -4.69 135.00 137.74 2a55 n PRO 118 Ca -0.20 0.00 -0.52 0.00 -0.04 0.00 0.00 63.50 62.74 2a55 n PRO 118 Cb 0.56 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.96 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 2.02 0.00 1.53 7.99 -1.26 -4.98 117.00 122.30 2a55 n LEU 119 Ca 0.00 1.10 0.00 0.00 -0.01 0.00 0.00 56.01 57.10 2a55 n LEU 119 Cb 0.00 -1.22 0.00 0.00 -0.11 0.00 0.00 43.42 42.09 2a55 n LEU 119 CO 0.00 -0.81 0.00 -2.65 -1.51 0.00 0.00 177.39 172.42 2a55 n PRO 120 N 3.27 0.00 -3.73 3.23 -0.02 -1.26 -5.05 135.00 131.44 2a55 n PRO 120 Ca 0.20 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.45 2a55 n PRO 120 Cb 0.20 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.50 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2a55 s GLN 121 N 0.00 0.40 -0.42 -0.52 0.74 0.26 -4.97 119.66 115.15 2a55 s GLN 121 Ca 0.00 0.08 -0.13 0.00 0.05 0.00 0.00 55.36 55.36 2a55 s GLN 121 Cb 0.00 -1.10 0.05 0.00 1.10 0.00 0.00 33.01 33.05 2a55 s GLN 121 CO 0.00 -0.39 0.30 0.00 -0.55 0.00 0.00 175.29 174.65 2a55 s GLU 123 N 1.60 1.24 0.39 0.00 2.12 -1.18 -4.91 118.70 117.96 2a55 s GLU 123 Ca 0.04 -0.90 -0.26 0.00 0.36 0.00 0.00 54.97 54.20 2a55 s GLU 123 Cb -0.21 -1.34 -0.09 0.00 0.26 0.00 0.00 34.13 32.75 2a55 s GLU 123 CO 0.07 0.34 1.27 -1.50 -0.54 0.00 0.00 175.26 174.89 2a55 s ILE 124 N -0.84 2.78 0.07 -3.70 2.07 -1.26 -1.54 121.20 118.79 2a55 s ILE 124 Ca 0.06 0.70 -0.32 0.00 -1.41 0.00 0.00 60.65 59.67 2a55 s ILE 124 Cb -0.09 -3.41 -0.18 0.00 0.13 0.00 0.00 42.46 38.91 2a55 s ILE 124 CO 0.02 0.11 1.63 -0.07 -1.91 0.00 0.00 174.94 174.71 2a55 h LEU 125 N 2.80 -0.79-10.06 8.50 3.38 -1.35 -3.45 115.31 114.35 2a55 h LEU 125 Ca -0.49 0.04 -0.48 0.00 0.09 0.00 0.00 57.88 57.03 2a55 h LEU 125 Cb 1.24 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 2a55 h LEU 125 CO 0.63 -0.53 -0.46 -0.70 0.09 0.00 0.00 178.44 177.47 2a55 s GLU 126 N -6.05 3.03 -0.21 1.13 2.12 -1.26 -4.88 118.70 112.58 2a55 s GLU 126 Ca -0.17 -1.03 -0.10 0.00 0.36 0.00 0.00 54.97 54.03 2a55 s GLU 126 Cb 0.04 -2.66 0.04 0.00 0.26 0.00 0.00 34.13 31.81 2a55 s GLU 126 CO 0.62 0.29 0.19 0.72 -0.54 0.00 0.00 175.26 176.55 2a55 n HIS 127 N -1.34 -4.24 -3.17 5.30 8.25 -1.26 -5.01 115.22 113.75 2a55 n HIS 127 Ca -0.06 2.35 -0.25 0.00 -0.26 0.00 0.00 57.72 59.50 2a55 n HIS 127 Cb 0.58 -3.83 -0.01 0.00 1.12 0.00 0.00 29.99 27.85 2a55 n HIS 127 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2a55 s HIS 128 N -0.85 3.52 -0.08 4.41 3.76 -1.26 -4.84 115.29 119.95 2a55 s HIS 128 Ca -0.22 0.49 -0.06 0.00 -0.15 0.00 0.00 55.06 55.12 2a55 s HIS 128 Cb 0.01 -2.02 0.02 0.00 1.11 0.00 0.00 32.58 31.71 2a55 s HIS 128 CO 0.76 0.01 0.12 1.58 -0.85 0.00 0.00 174.74 176.37 2a55 n HIS 129 N -1.89 -4.47 0.09 1.40 -0.00 -1.26 -5.04 115.22 104.05 2a55 n HIS 129 Ca -0.03 2.63 0.00 0.00 -0.00 0.00 0.00 57.72 60.32 2a55 n HIS 129 Cb 0.56 -3.80 0.00 0.00 -0.00 0.00 0.00 29.99 26.75 2a55 n HIS 129 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2a55 n HIS 130 N 1.69 -2.27 -3.44 1.57 -0.00 -1.26 -5.12 115.22 106.40 2a55 n HIS 130 Ca -0.21 0.46 -0.36 0.00 -0.00 0.00 0.00 57.72 57.61 2a55 n HIS 130 Cb 0.32 1.28 -0.06 0.00 -0.00 0.00 0.00 29.99 31.54 2a55 n HIS 130 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2a55 s HIS 131 N -2.00 3.67 0.00 1.57 3.76 -1.26 -5.30 115.29 115.72 2a55 s HIS 131 Ca 0.00 1.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.92 2a55 s HIS 131 Cb 0.00 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.38 2a55 s HIS 131 CO 0.00 0.54 0.00 1.58 -0.85 0.00 0.00 174.74 176.01