#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 6.47 0.50 6.12 0.02 -1.26 -2.28 114.94 124.51 2a55 s ASN 1 Ca 0.00 0.55 0.04 0.00 -1.02 0.00 0.00 52.86 52.43 2a55 s ASN 1 Cb 0.00 -2.09 0.02 0.00 0.02 0.00 0.00 41.25 39.20 2a55 s ASN 1 CO 0.00 0.36 0.70 0.00 0.02 0.00 0.00 177.10 178.17 2a55 s GLY 3 N -4.39 2.63 -0.24 0.00 0.00 -1.15 -4.40 107.32 99.75 2a55 s GLY 3 Ca 0.56 0.78 -0.43 0.00 0.00 0.00 0.00 44.72 45.63 2a55 s GLY 3 CO 0.36 1.14 1.40 -1.05 0.00 0.00 0.00 173.10 174.95 2a55 n PRO 4 N -1.06 0.21 -1.62 2.90 -0.02 -1.24 -4.70 135.00 129.46 2a55 n PRO 4 Ca 0.10 0.08 -0.64 0.00 -2.02 0.00 0.00 63.50 61.02 2a55 n PRO 4 Cb 0.51 -1.61 -0.10 0.00 -0.02 0.00 0.00 33.50 32.28 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 3.09 0.24 -0.36 0.52 -0.02 -1.26 -4.93 135.00 132.28 2a55 n PRO 5 Ca 0.25 0.09 -0.14 0.00 -2.02 0.00 0.00 63.50 61.68 2a55 n PRO 5 Cb 0.03 -1.65 0.12 0.00 -0.02 0.00 0.00 33.50 31.99 2a55 n PRO 5 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2a55 n PRO 6 N 5.18 -2.47 -3.65 0.52 -0.04 -1.26 -5.02 135.00 128.26 2a55 n PRO 6 Ca 0.36 -0.78 -0.36 0.00 -0.04 0.00 0.00 63.50 62.68 2a55 n PRO 6 Cb -0.01 -0.81 -0.07 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.80 5.34 -0.31 0.52 -1.32 -1.26 -5.07 115.64 111.74 2a55 s THR 7 Ca 0.33 0.44 -0.04 0.00 -1.21 0.00 0.00 61.69 61.20 2a55 s THR 7 Cb -0.04 -3.56 0.04 0.00 -1.51 0.00 0.00 72.50 67.43 2a55 s THR 7 CO 0.26 0.47 0.04 -0.76 -2.21 0.00 0.00 174.62 172.42 2a55 s LEU 8 N -0.06 4.00 0.34 9.08 1.43 -1.26 -4.93 118.68 127.28 2a55 s LEU 8 Ca 0.15 -1.13 0.26 0.00 -1.03 0.00 0.00 54.13 52.38 2a55 s LEU 8 Cb -0.13 -1.79 0.91 0.00 0.03 0.00 0.00 46.19 45.21 2a55 s LEU 8 CO 0.04 -0.27 1.77 0.77 0.23 0.00 0.00 176.35 178.89 2a55 h SER 9 N 8.11 0.00 -0.91 2.29 4.64 -1.95 -2.97 113.55 122.76 2a55 h SER 9 Ca -0.24 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.49 2a55 h SER 9 Cb 1.08 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.87 2a55 h SER 9 CO 0.57 0.00 0.52 2.22 -0.87 0.00 0.00 176.83 179.27 2a55 n PHE 10 N -2.59 2.97 -3.83 4.77 -1.74 -1.26 -3.71 117.46 112.08 2a55 n PHE 10 Ca 0.03 -2.59 0.00 0.00 -0.56 0.00 0.00 57.45 54.33 2a55 n PHE 10 Cb 0.36 -1.13 0.00 0.00 1.52 0.00 0.00 39.48 40.23 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 -0.95 0.00 -3.61 1.98 0.00 -1.12 -4.00 120.51 112.81 2a55 n ALA 11 Ca 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.91 2a55 n ALA 11 Cb 0.92 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.00 -1.94 0.55 0.00 0.00 -1.26 -4.61 121.76 113.49 2a55 s ALA 12 Ca 0.00 1.74 -0.19 0.00 0.00 0.00 0.00 51.96 53.51 2a55 s ALA 12 Cb 0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 23.12 21.95 2a55 s ALA 12 CO 0.00 -0.27 0.64 -2.30 0.00 0.00 0.00 175.76 173.83 2a55 n PRO 13 N 1.60 0.65 0.00 0.00 -0.02 -1.26 -1.64 135.00 134.33 2a55 n PRO 13 Ca -0.12 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2a55 n PRO 13 Cb 0.57 -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 -0.12 0.00 -2.92 -0.52 1.56 -1.26 -4.78 117.12 109.08 2a55 n MET 14 Ca 0.12 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.54 2a55 n MET 14 Cb 0.46 -0.00 0.01 0.00 2.15 0.00 0.00 33.22 35.83 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 0.00 -1.08 -0.30 6.12 -1.08 -1.26 -4.90 116.67 114.18 2a55 s ASP 15 Ca 0.00 -0.84 -0.08 0.00 -0.52 0.00 0.00 52.55 51.10 2a55 s ASP 15 Cb 0.00 1.39 0.19 0.00 -1.46 0.00 0.00 42.92 43.04 2a55 s ASP 15 CO 0.00 -0.09 0.97 -0.51 0.52 0.00 0.00 175.17 176.06 2a55 s ILE 16 N 1.49 -0.38 -0.08 4.11 2.07 -1.26 -4.21 121.20 122.93 2a55 s ILE 16 Ca 0.21 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.14 2a55 s ILE 16 Cb 0.01 -0.38 -0.09 0.00 0.13 0.00 0.00 42.46 42.14 2a55 s ILE 16 CO -0.09 0.00 2.04 0.35 -1.91 0.00 0.00 174.94 175.34 2a55 n THR 17 N 5.15 0.58 0.02 4.00 -2.24 -1.26 -4.80 114.28 115.73 2a55 n THR 17 Ca 0.09 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2a55 n THR 17 Cb 0.57 -2.27 0.00 0.00 -2.10 0.00 0.00 70.33 66.53 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 8.71 4.28 0.01 3.22 7.99 -1.26 -3.78 117.00 136.18 2a55 n LEU 18 Ca 0.25 -1.98 -0.07 0.00 -0.01 0.00 0.00 56.01 54.20 2a55 n LEU 18 Cb 0.39 -0.86 -0.12 0.00 -0.11 0.00 0.00 43.42 42.71 2a55 n LEU 18 CO 0.69 0.79 -0.31 0.71 -1.51 0.00 0.00 177.39 177.76 2a55 h THR 19 N 0.71 1.03 -4.69 -5.08 1.35 -2.02 -3.47 112.91 100.74 2a55 h THR 19 Ca 0.00 -2.80 -0.13 0.00 -0.55 0.00 0.00 66.41 62.93 2a55 h THR 19 Cb 0.94 2.49 0.01 0.00 -1.73 0.00 0.00 68.15 69.86 2a55 h THR 19 CO 0.00 0.59 -0.02 -0.62 -0.25 0.00 0.00 175.52 175.21 2a55 n GLU 20 N -3.11 0.93 0.00 4.72 -0.58 -1.25 -5.06 120.64 116.29 2a55 n GLU 20 Ca -0.11 -0.86 0.00 0.00 -0.42 0.00 0.00 57.16 55.77 2a55 n GLU 20 Cb 0.99 -0.05 0.00 0.00 -0.57 0.00 0.00 31.44 31.81 2a55 n GLU 20 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2a55 n THR 21 N -1.30 0.00 -4.33 2.62 -1.04 -1.26 -5.09 114.28 103.87 2a55 n THR 21 Ca 0.04 -0.07 -0.22 0.00 -2.04 0.00 0.00 64.05 61.77 2a55 n THR 21 Cb 0.16 0.93 -0.11 0.00 -1.82 0.00 0.00 70.33 69.49 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 -0.16 1.28 -0.29 -2.82 0.52 -1.26 -3.65 118.95 112.57 2a55 s ARG 22 Ca 0.00 -1.42 0.01 0.00 -0.52 0.00 0.00 55.73 53.80 2a55 s ARG 22 Cb 0.00 -1.32 0.15 0.00 0.52 0.00 0.00 34.95 34.30 2a55 s ARG 22 CO 0.00 0.26 0.35 -0.06 0.02 0.00 0.00 175.30 175.88 2a55 s PHE 23 N -2.11 -0.74 1.03 -0.53 0.40 -1.26 -5.04 117.98 109.74 2a55 s PHE 23 Ca 0.16 0.11 -0.23 0.00 -0.60 0.00 0.00 56.93 56.37 2a55 s PHE 23 Cb -0.05 -0.30 -0.08 0.00 0.51 0.00 0.00 43.02 43.10 2a55 s PHE 23 CO 0.07 -0.94 -0.84 0.36 0.70 0.00 0.00 175.22 174.57 2a55 n LYS 24 N 5.33 -0.52 -0.58 0.44 2.85 -1.26 -3.77 118.16 120.65 2a55 n LYS 24 Ca -0.01 -0.14 -0.28 0.00 -1.05 0.00 0.00 58.31 56.82 2a55 n LYS 24 Cb 0.48 -1.28 0.24 0.00 -0.65 0.00 0.00 35.03 33.83 2a55 n LYS 24 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2a55 s THR 25 N -2.10 2.03 0.00 0.58 -4.23 -0.96 -2.72 115.64 108.23 2a55 s THR 25 Ca 0.44 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 2a55 s THR 25 Cb -0.02 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.74 2a55 s THR 25 CO 0.68 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.36 2a55 n GLY 26 N 0.68 0.83 0.78 3.99 0.00 -1.01 -4.78 105.19 105.69 2a55 n GLY 26 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2a55 n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2a55 n THR 27 N -2.00 0.17 -0.49 2.61 5.66 -1.10 -4.90 114.28 114.23 2a55 n THR 27 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 2a55 n THR 27 Cb 0.00 -0.43 -0.03 0.00 -1.55 0.00 0.00 70.33 68.32 2a55 n THR 27 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2a55 n THR 28 N 0.64 0.00 -2.89 1.09 -1.04 -1.26 -4.83 114.28 105.98 2a55 n THR 28 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 2a55 n THR 28 Cb 0.12 -0.12 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 2a55 n THR 28 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2a55 n LEU 29 N 1.03 0.00 0.00 -4.42 4.32 -0.14 -4.95 117.00 112.84 2a55 n LEU 29 Ca 0.08 -1.80 0.00 0.00 -0.02 0.00 0.00 56.01 54.27 2a55 n LEU 29 Cb -0.01 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.42 2a55 n LEU 29 CO 0.24 -0.72 0.00 0.29 -1.22 0.00 0.00 177.39 175.99 2a55 n LYS 30 N -2.07 0.00 -1.38 3.23 4.01 -1.26 -4.07 118.16 116.63 2a55 n LYS 30 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 2a55 n LYS 30 Cb 0.45 -0.12 0.00 0.00 -0.51 0.00 0.00 35.03 34.85 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2a55 n TYR 31 N -0.69 -3.77 0.00 2.13 4.01 -1.26 -3.92 117.16 113.66 2a55 n TYR 31 Ca 0.00 2.00 0.00 0.00 -0.16 0.00 0.00 57.90 59.74 2a55 n TYR 31 Cb 0.00 -3.17 0.00 0.00 -0.31 0.00 0.00 39.34 35.86 2a55 n TYR 31 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 2a55 n THR 32 N -0.74 0.00 0.00 -0.72 5.66 -0.65 -4.71 114.28 113.12 2a55 n THR 32 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2a55 n THR 32 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2a55 n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2a55 n LEU 34 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.81 117.00 115.71 2a55 n LEU 34 Ca 0.00 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2a55 n LEU 34 Cb 0.00 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2a55 n LEU 34 CO 0.00 -0.08 0.00 -2.65 -1.33 0.00 0.00 177.39 173.33 2a55 n PRO 35 N -0.08 0.00 0.00 3.23 -0.02 -1.26 -4.00 135.00 132.87 2a55 n PRO 35 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2a55 n PRO 35 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.56 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 0.00 -1.85 3.76 -1.23 0.00 -1.24 -4.33 105.19 100.29 2a55 n GLY 36 Ca 0.00 0.83 -0.02 0.00 0.00 0.00 0.00 46.02 46.82 2a55 n GLY 36 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2a55 s TYR 37 N 0.00 -0.08 0.00 1.61 1.13 -1.22 -2.82 117.35 115.97 2a55 s TYR 37 Ca 0.00 -0.21 0.00 0.00 -1.41 0.00 0.00 57.07 55.45 2a55 s TYR 37 Cb 0.00 0.63 0.00 0.00 -1.10 0.00 0.00 41.96 41.49 2a55 s TYR 37 CO 0.00 -0.75 0.00 0.28 -2.51 0.00 0.00 175.55 172.57 2a55 n VAL 38 N -0.52 0.00 0.00 -3.49 0.31 -0.57 -1.97 118.33 112.09 2a55 n VAL 38 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2a55 n VAL 38 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 2a55 n VAL 38 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2a55 n ARG 39 N -0.04 0.00 -3.01 5.55 5.12 -1.26 -4.07 116.66 118.94 2a55 n ARG 39 Ca 0.00 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.48 2a55 n ARG 39 Cb 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.26 2a55 n ARG 39 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2a55 s SER 40 N 0.00 6.33 -0.24 0.55 0.15 -1.26 -4.97 113.70 114.26 2a55 s SER 40 Ca 0.00 -1.56 -0.12 0.00 0.70 0.00 0.00 55.95 54.98 2a55 s SER 40 Cb 0.00 -2.35 0.09 0.00 -1.71 0.00 0.00 66.02 62.05 2a55 s SER 40 CO 0.00 -1.15 0.57 -1.38 1.20 0.00 0.00 173.24 172.47 2a55 s HIS 41 N 2.88 -0.96 0.00 3.44 -3.43 -1.23 -0.97 115.29 115.01 2a55 s HIS 41 Ca 0.20 1.87 0.00 0.00 -0.80 0.00 0.00 55.06 56.33 2a55 s HIS 41 Cb -0.16 0.53 0.00 0.00 -1.43 0.00 0.00 32.58 31.51 2a55 s HIS 41 CO 0.02 -0.50 0.00 0.45 -2.00 0.00 0.00 174.74 172.71 2a55 n SER 42 N 4.69 0.00 0.00 7.38 2.88 -1.26 -5.03 113.62 122.28 2a55 n SER 42 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2a55 n SER 42 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -5.10 114.28 109.34 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 0.00 -0.64 0.00 0.00 175.07 174.43 2a55 n GLN 44 N 0.00 0.00 -3.70 -2.82 10.64 -1.26 -4.66 117.38 115.58 2a55 n GLN 44 Ca 0.00 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.04 2a55 n GLN 44 Cb 0.00 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.29 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2a55 s THR 45 N 0.00 -0.00 -0.24 -0.39 -4.23 -1.25 -4.51 115.64 105.01 2a55 s THR 45 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 2a55 s THR 45 Cb 0.00 -0.72 0.04 0.00 1.34 0.00 0.00 72.50 73.16 2a55 s THR 45 CO 0.00 0.00 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.21 2a55 s LEU 46 N 0.28 3.08 0.03 4.79 1.02 -1.26 -4.78 118.68 121.84 2a55 s LEU 46 Ca -0.00 -1.06 0.07 0.00 0.02 0.00 0.00 54.13 53.17 2a55 s LEU 46 Cb -0.04 -1.58 -0.02 0.00 0.02 0.00 0.00 46.19 44.58 2a55 s LEU 46 CO 0.01 -0.13 -0.22 -0.89 0.02 0.00 0.00 176.35 175.14 2a55 s THR 47 N 1.22 1.76 -0.16 5.49 2.01 -1.25 -0.96 115.64 123.75 2a55 s THR 47 Ca -0.03 -1.15 -0.29 0.00 0.31 0.00 0.00 61.69 60.53 2a55 s THR 47 Cb -0.17 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 2a55 s THR 47 CO -0.07 0.31 1.23 0.00 -0.69 0.00 0.00 174.62 175.41 2a55 s ASN 49 N 1.83 5.03 -1.42 0.00 2.20 -1.21 -2.39 114.94 118.98 2a55 s ASN 49 Ca 0.54 -0.91 -0.10 0.00 -0.94 0.00 0.00 52.86 51.45 2a55 s ASN 49 Cb -0.21 0.36 0.07 0.00 -2.00 0.00 0.00 41.25 39.46 2a55 s ASN 49 CO 0.15 -1.35 2.30 -0.24 -2.94 0.00 0.00 177.10 175.03 2a55 n SER 50 N -2.21 5.99 0.00 3.54 2.88 -1.26 -3.39 113.62 119.16 2a55 n SER 50 Ca 0.14 -2.92 0.00 0.00 -1.33 0.00 0.00 58.87 54.76 2a55 n SER 50 Cb 0.62 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 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 4.13 0.00 -1.34 -3.46 -0.08 -1.26 -4.99 116.55 109.54 2a55 n ASP 51 Ca 0.56 -1.00 -0.17 0.00 -1.51 0.00 0.00 54.79 52.66 2a55 n ASP 51 Cb 0.32 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.71 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 1.67 3.24 0.27 0.00 -1.22 -4.94 105.19 104.22 2a55 n GLY 52 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.48 1.17 -0.36 1.61 -1.05 -1.26 -2.95 118.70 112.37 2a55 s GLU 53 Ca 0.00 -1.59 -0.19 0.00 -0.15 0.00 0.00 54.97 53.05 2a55 s GLU 53 Cb 0.00 -0.15 0.00 0.00 -0.44 0.00 0.00 34.13 33.54 2a55 s GLU 53 CO 0.00 -0.21 0.53 -1.58 0.95 0.00 0.00 175.26 174.95 2a55 s TRP 54 N -3.78 3.16 0.05 4.83 0.52 -1.26 -3.32 118.94 119.15 2a55 s TRP 54 Ca 0.29 0.14 -0.07 0.00 0.02 0.00 0.00 56.10 56.47 2a55 s TRP 54 Cb 0.07 -2.99 -0.05 0.00 -1.15 0.00 0.00 33.47 29.35 2a55 s TRP 54 CO 0.07 -0.59 0.33 0.08 0.02 0.00 0.00 176.95 176.86 2a55 s VAL 55 N 2.45 5.20 0.00 4.03 1.01 -1.20 -4.97 120.40 126.92 2a55 s VAL 55 Ca 0.19 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2a55 s VAL 55 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2a55 s VAL 55 CO 0.14 0.29 0.00 0.00 0.00 0.00 0.00 175.10 175.53 2a55 n TYR 56 N 0.89 0.00 -2.35 5.22 4.11 -1.26 -3.94 117.16 119.83 2a55 n TYR 56 Ca -0.09 0.00 -0.25 0.00 -0.00 0.00 0.00 57.90 57.56 2a55 n TYR 56 Cb 0.52 0.00 0.11 0.00 -0.00 0.00 0.00 39.34 39.97 2a55 n TYR 56 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2a55 s ASN 57 N 0.00 4.29 -1.23 9.48 2.20 -1.26 -4.98 114.94 123.44 2a55 s ASN 57 Ca 0.00 0.02 -0.13 0.00 -0.94 0.00 0.00 52.86 51.80 2a55 s ASN 57 Cb 0.00 -0.45 0.16 0.00 -2.00 0.00 0.00 41.25 38.96 2a55 s ASN 57 CO 0.00 -1.91 1.54 0.41 -2.94 0.00 0.00 177.10 174.20 2a55 n THR 58 N -3.01 4.23 0.24 0.54 -1.04 -1.26 -4.78 114.28 109.20 2a55 n THR 58 Ca 0.13 -4.60 0.15 0.00 -2.04 0.00 0.00 64.05 57.69 2a55 n THR 58 Cb 0.60 -2.44 0.81 0.00 -1.82 0.00 0.00 70.33 67.48 2a55 n THR 58 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 2a55 h PHE 59 N 6.95 0.00 -1.90 -1.42 -5.15 -1.83 -3.29 116.94 110.30 2a55 h PHE 59 Ca 0.35 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 58.13 2a55 h PHE 59 Cb 0.83 0.00 -0.22 0.00 0.22 0.00 0.00 35.95 36.78 2a55 h PHE 59 CO 1.16 0.00 0.15 0.00 -2.00 0.00 0.00 178.31 177.62 2a55 s ILE 61 N 1.03 -0.44 0.00 0.00 2.07 -1.13 -4.50 121.20 118.24 2a55 s ILE 61 Ca -0.05 -0.00 -0.36 0.00 -1.41 0.00 0.00 60.65 58.82 2a55 s ILE 61 Cb -0.05 -0.67 -0.15 0.00 0.13 0.00 0.00 42.46 41.72 2a55 s ILE 61 CO -0.11 -0.10 1.58 0.00 -1.91 0.00 0.00 174.94 174.40 2a55 n TYR 62 N 5.34 1.97 -2.74 3.50 9.36 -1.09 -1.51 117.16 131.98 2a55 n TYR 62 Ca -0.05 0.41 -0.03 0.00 3.32 0.00 0.00 57.90 61.54 2a55 n TYR 62 Cb 0.50 -2.47 0.02 0.00 -0.63 0.00 0.00 39.34 36.75 2a55 n TYR 62 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2a55 s LYS 63 N 1.85 0.75 0.00 2.98 2.20 -0.83 -4.76 119.74 121.93 2a55 s LYS 63 Ca 0.87 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 2a55 s LYS 63 Cb -0.86 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 35.43 2a55 s LYS 63 CO 0.49 -0.93 0.00 2.89 -0.36 0.00 0.00 175.35 177.44 2a55 n ARG 64 N 2.88 1.94 -4.27 4.03 1.85 -1.26 -3.19 116.66 118.63 2a55 n ARG 64 Ca 0.15 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.86 2a55 n ARG 64 Cb 0.59 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.90 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2a55 s ARG 66 N -3.92 4.69 0.07 0.00 6.06 -1.26 -4.78 118.95 119.81 2a55 s ARG 66 Ca 0.27 1.50 -0.31 0.00 -2.50 0.00 0.00 55.73 54.68 2a55 s ARG 66 Cb 0.06 -3.07 -0.10 0.00 0.06 0.00 0.00 34.95 31.90 2a55 s ARG 66 CO 0.06 0.35 1.90 1.58 -2.50 0.00 0.00 175.30 176.69 2a55 n HIS 67 N 1.06 2.55 0.20 5.12 -0.00 -1.26 -4.83 115.22 118.05 2a55 n HIS 67 Ca -0.00 -0.23 0.18 0.00 -0.00 0.00 0.00 57.72 57.67 2a55 n HIS 67 Cb 0.48 -2.76 0.81 0.00 -0.00 0.00 0.00 29.99 28.52 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 9.45 0.00 0.00 1.57 0.13 -1.97 -3.47 132.00 137.71 2a55 h PRO 68 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2a55 h PRO 68 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2a55 h PRO 68 CO 0.94 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 2a55 n GLY 69 N -1.37 -1.47 3.75 1.56 0.00 -1.26 -4.60 105.19 101.79 2a55 n GLY 69 Ca 0.03 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 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 0.00 4.81 -0.60 1.61 2.12 -1.26 -4.87 118.70 120.50 2a55 s GLU 70 Ca 0.00 1.46 -0.17 0.00 0.36 0.00 0.00 54.97 56.61 2a55 s GLU 70 Cb 0.00 -3.30 0.12 0.00 0.26 0.00 0.00 34.13 31.21 2a55 s GLU 70 CO 0.00 0.46 0.65 -1.17 -0.54 0.00 0.00 175.26 174.66 2a55 s LEU 71 N -0.93 5.78 0.02 2.70 0.20 -1.26 -4.98 118.68 120.20 2a55 s LEU 71 Ca 0.42 -1.69 -0.30 0.00 0.69 0.00 0.00 54.13 53.25 2a55 s LEU 71 Cb -0.25 -2.27 -0.08 0.00 -0.43 0.00 0.00 46.19 43.16 2a55 s LEU 71 CO 0.31 -0.98 1.85 -0.60 -0.29 0.00 0.00 176.35 176.64 2a55 s ARG 72 N 2.10 4.16 -1.06 1.98 3.52 -1.26 -0.56 118.95 127.82 2a55 s ARG 72 Ca 0.10 2.48 -0.02 0.00 -0.13 0.00 0.00 55.73 58.16 2a55 s ARG 72 Cb -0.24 -4.05 0.00 0.00 -1.56 0.00 0.00 34.95 29.10 2a55 s ARG 72 CO 0.03 -0.91 0.90 0.09 -0.81 0.00 0.00 175.30 174.60 2a55 n ASN 73 N 7.20 -2.93 -3.62 -2.12 3.02 -1.26 -4.69 115.26 110.86 2a55 n ASN 73 Ca 0.19 -0.51 -0.00 0.00 -0.03 0.00 0.00 54.58 54.22 2a55 n ASN 73 Cb 0.41 -4.45 0.01 0.00 -0.61 0.00 0.00 39.78 35.15 2a55 n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2a55 s GLY 74 N -3.95 -0.07 -0.02 7.41 0.00 0.28 -2.79 107.32 108.17 2a55 s GLY 74 Ca 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.84 2a55 s GLY 74 CO 0.63 3.43 -0.06 1.20 0.00 0.00 0.00 173.10 178.29 2a55 s GLN 75 N -2.19 0.71 -0.39 2.90 -1.52 0.21 -4.48 119.66 114.90 2a55 s GLN 75 Ca 0.24 -0.21 -0.09 0.00 -1.95 0.00 0.00 55.36 53.35 2a55 s GLN 75 Cb -0.01 -0.69 0.05 0.00 -0.22 0.00 0.00 33.01 32.15 2a55 s GLN 75 CO 0.01 0.07 0.22 0.08 -0.25 0.00 0.00 175.29 175.42 2a55 s VAL 76 N 0.25 4.28 -0.53 1.09 1.01 -1.26 -1.14 120.40 124.10 2a55 s VAL 76 Ca -0.03 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.51 2a55 s VAL 76 Cb -0.08 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2a55 s VAL 76 CO 0.00 -0.36 1.89 -0.70 0.00 0.00 0.00 175.10 175.93 2a55 s GLU 77 N 1.47 2.76 0.04 2.72 2.56 -0.28 -4.95 118.70 123.02 2a55 s GLU 77 Ca 0.02 0.88 0.08 0.00 0.00 0.00 0.00 54.97 55.95 2a55 s GLU 77 Cb -0.21 -4.35 -0.03 0.00 2.00 0.00 0.00 34.13 31.54 2a55 s GLU 77 CO 0.04 -2.56 -0.24 0.42 -0.56 0.00 0.00 175.26 172.37 2a55 s ILE 78 N 8.79 1.90 0.00 -3.70 -1.09 -1.26 -4.25 121.20 121.58 2a55 s ILE 78 Ca 0.73 -1.27 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 2a55 s ILE 78 Cb -0.15 -1.63 0.00 0.00 -1.58 0.00 0.00 42.46 39.10 2a55 s ILE 78 CO 0.24 0.31 0.00 2.29 -1.23 0.00 0.00 174.94 176.55 2a55 n LYS 79 N 1.88 0.00 0.00 2.79 0.00 -1.26 -4.93 118.16 116.63 2a55 n LYS 79 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 2a55 n LYS 79 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.56 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 -1.79 0.00 -1.02 0.58 -2.24 -1.26 -4.79 114.28 103.77 2a55 n THR 80 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2a55 n THR 80 Cb 0.00 -0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 67.87 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 -0.07 -5.84 -2.56 3.42 8.00 -1.26 -1.63 116.55 116.61 2a55 n ASP 81 Ca 0.00 0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.43 2a55 n ASP 81 Cb 0.17 -3.52 0.05 0.00 -0.02 0.00 0.00 41.12 37.79 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 -0.15 -3.88 -4.69 0.64 7.99 -1.26 -4.42 117.00 111.23 2a55 n LEU 82 Ca -0.01 -0.42 -0.40 0.00 -0.01 0.00 0.00 56.01 55.16 2a55 n LEU 82 Cb 0.50 -2.17 -0.05 0.00 -0.11 0.00 0.00 43.42 41.59 2a55 n LEU 82 CO 0.02 0.13 0.47 -0.44 -1.51 0.00 0.00 177.39 176.06 2a55 s SER 83 N -3.48 6.90 0.13 -1.43 0.01 -0.64 0.11 113.70 115.30 2a55 s SER 83 Ca 0.17 1.09 -0.23 0.00 1.31 0.00 0.00 55.95 58.30 2a55 s SER 83 Cb -0.02 -2.41 -0.13 0.00 0.21 0.00 0.00 66.02 63.66 2a55 s SER 83 CO 0.46 -0.26 0.46 0.33 0.41 0.00 0.00 173.24 174.64 2a55 n PHE 84 N 4.62 -0.25 -1.12 2.43 -0.00 -1.19 -2.43 117.46 119.52 2a55 n PHE 84 Ca 0.01 0.75 0.00 0.00 -0.00 0.00 0.00 57.45 58.21 2a55 n PHE 84 Cb 0.50 -1.51 0.00 0.00 -0.00 0.00 0.00 39.48 38.47 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 1.47 0.66 3.33 7.13 0.00 -0.31 -4.81 105.19 112.66 2a55 n GLY 85 Ca 0.14 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.74 2.54 -0.09 1.61 1.04 -1.02 -4.92 113.70 110.12 2a55 s SER 86 Ca 0.00 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 55.54 2a55 s SER 86 Cb 0.00 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 2a55 s SER 86 CO 0.00 -0.11 -0.19 -1.58 0.98 0.00 0.00 173.24 172.34 2a55 s GLN 87 N -3.14 2.89 -0.26 4.02 -0.44 -1.26 -2.19 119.66 119.29 2a55 s GLN 87 Ca 0.18 -0.79 0.01 0.00 -2.50 0.00 0.00 55.36 52.26 2a55 s GLN 87 Cb -0.03 -2.38 0.07 0.00 -1.64 0.00 0.00 33.01 29.02 2a55 s GLN 87 CO 0.06 0.35 -0.03 0.96 0.50 0.00 0.00 175.29 177.13 2a55 s ILE 88 N -0.04 1.64 0.91 -2.34 -4.36 -0.84 -4.90 121.20 111.27 2a55 s ILE 88 Ca -0.05 -1.43 -0.12 0.00 -0.26 0.00 0.00 60.65 58.79 2a55 s ILE 88 Cb -0.14 -1.95 0.14 0.00 1.25 0.00 0.00 42.46 41.75 2a55 s ILE 88 CO 0.04 -0.21 1.12 -1.61 0.24 0.00 0.00 174.94 174.53 2a55 s GLU 89 N 1.32 1.17 0.41 0.37 2.02 -1.25 -3.29 118.70 119.45 2a55 s GLU 89 Ca -0.03 0.43 0.02 0.00 0.02 0.00 0.00 54.97 55.41 2a55 s GLU 89 Cb -0.19 -1.83 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 2a55 s GLU 89 CO -0.08 -2.21 0.07 1.19 0.02 0.00 0.00 175.26 174.25 2a55 n PHE 90 N -3.80 0.59 -3.17 1.61 3.01 -1.12 -1.12 117.46 113.46 2a55 n PHE 90 Ca 0.06 -2.32 0.04 0.00 1.01 0.00 0.00 57.45 56.24 2a55 n PHE 90 Cb 0.58 -0.15 -0.01 0.00 -0.01 0.00 0.00 39.48 39.89 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2a55 s SER 91 N -3.40 -1.37 -0.16 4.37 0.01 -0.29 -4.89 113.70 107.97 2a55 s SER 91 Ca 0.10 0.90 -0.23 0.00 1.31 0.00 0.00 55.95 58.02 2a55 s SER 91 Cb 0.00 2.17 -0.02 0.00 0.21 0.00 0.00 66.02 68.38 2a55 s SER 91 CO 0.07 -0.26 0.73 0.00 0.41 0.00 0.00 173.24 174.19 2a55 n SER 93 N 4.87 -4.19 0.00 0.00 7.64 -1.12 -4.59 113.62 116.23 2a55 n SER 93 Ca 0.01 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2a55 n SER 93 Cb 0.50 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 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 1.43 0.00 0.19 1.43 4.07 -1.26 -0.33 120.64 126.17 2a55 n GLU 94 Ca -0.00 0.25 0.14 0.00 -0.06 0.00 0.00 57.16 57.48 2a55 n GLU 94 Cb 0.62 -0.41 0.54 0.00 -0.06 0.00 0.00 31.44 32.13 2a55 n GLU 94 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2a55 h GLY 95 N 0.00 0.00 -5.93 8.31 0.00 -1.95 -3.43 103.07 100.07 2a55 h GLY 95 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 2a55 h GLY 95 CO 0.00 0.00 -0.64 -1.36 0.00 0.00 0.00 176.54 174.54 2a55 s PHE 96 N -3.42 3.08 0.37 5.60 0.08 0.56 -0.02 117.98 124.22 2a55 s PHE 96 Ca 0.04 -0.22 0.05 0.00 0.12 0.00 0.00 56.93 56.92 2a55 s PHE 96 Cb 0.09 -1.99 -0.01 0.00 -0.57 0.00 0.00 43.02 40.55 2a55 s PHE 96 CO 0.48 0.00 0.53 -0.59 -0.10 0.00 0.00 175.22 175.54 2a55 s PHE 97 N 0.37 3.13 0.13 0.36 -0.71 -0.38 -3.20 117.98 117.69 2a55 s PHE 97 Ca -0.02 -0.10 -0.26 0.00 -1.04 0.00 0.00 56.93 55.50 2a55 s PHE 97 Cb -0.14 -2.09 -0.07 0.00 -1.21 0.00 0.00 43.02 39.51 2a55 s PHE 97 CO 0.02 -0.12 0.82 -1.17 -1.34 0.00 0.00 175.22 173.44 2a55 s LEU 98 N -4.28 4.55 -0.27 -1.99 1.98 -1.26 -3.17 118.68 114.23 2a55 s LEU 98 Ca 0.46 1.65 -0.11 0.00 -2.89 0.00 0.00 54.13 53.24 2a55 s LEU 98 Cb -0.10 -3.36 0.11 0.00 0.66 0.00 0.00 46.19 43.50 2a55 s LEU 98 CO 0.33 0.11 0.62 -0.63 -1.89 0.00 0.00 176.35 174.89 2a55 s ILE 99 N -0.68 -0.64 0.00 6.68 1.01 -1.01 -4.98 121.20 121.57 2a55 s ILE 99 Ca 0.39 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2a55 s ILE 99 Cb -0.23 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.31 2a55 s ILE 99 CO 0.27 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.83 2a55 n GLY 100 N 5.09 2.00 0.00 6.18 0.00 -1.26 0.68 105.19 117.88 2a55 n GLY 100 Ca -0.14 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2a55 n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a55 n SER 101 N 0.00 0.00 0.06 1.61 2.88 -1.26 -5.01 113.62 111.90 2a55 n SER 101 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2a55 n SER 101 Cb 0.00 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 63.69 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2a55 n THR 102 N 0.00 1.63 -4.35 2.46 -2.24 -1.26 -4.53 114.28 105.99 2a55 n THR 102 Ca 0.00 0.59 -0.26 0.00 -2.27 0.00 0.00 64.05 62.12 2a55 n THR 102 Cb 0.00 -1.59 -0.10 0.00 -2.10 0.00 0.00 70.33 66.54 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 2.95 -0.20 4.28 -4.23 -1.26 -2.79 115.64 111.18 2a55 s THR 103 Ca -0.01 -1.90 -0.04 0.00 -1.18 0.00 0.00 61.69 58.56 2a55 s THR 103 Cb 0.02 -2.49 0.10 0.00 1.34 0.00 0.00 72.50 71.47 2a55 s THR 103 CO 0.08 -0.21 0.29 -0.44 -0.54 0.00 0.00 174.62 173.80 2a55 s SER 104 N -3.06 0.70 0.01 3.99 0.01 -1.21 -4.92 113.70 109.23 2a55 s SER 104 Ca 0.26 0.18 -0.08 0.00 1.31 0.00 0.00 55.95 57.62 2a55 s SER 104 Cb -0.08 0.73 -0.05 0.00 0.21 0.00 0.00 66.02 66.83 2a55 s SER 104 CO 0.15 -0.29 0.30 -0.13 0.41 0.00 0.00 173.24 173.67 2a55 s ARG 105 N 2.43 3.64 -0.32 12.44 0.52 -1.26 -1.99 118.95 134.41 2a55 s ARG 105 Ca 0.07 0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 55.12 2a55 s ARG 105 Cb -0.15 -3.08 -0.02 0.00 0.52 0.00 0.00 34.95 32.23 2a55 s ARG 105 CO -0.12 0.64 0.45 0.00 0.02 0.00 0.00 175.30 176.29 2a55 n GLU 107 N 5.55 0.73 -4.06 0.00 0.00 -0.62 -1.16 120.64 121.08 2a55 n GLU 107 Ca -0.06 -3.82 -0.17 0.00 0.00 0.00 0.00 57.16 53.10 2a55 n GLU 107 Cb 0.49 1.05 -0.16 0.00 0.00 0.00 0.00 31.44 32.83 2a55 n GLU 107 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2a55 s VAL 108 N -2.90 0.34 0.00 6.31 1.01 -1.26 0.73 120.40 124.63 2a55 s VAL 108 Ca 0.01 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.99 2a55 s VAL 108 Cb 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 2a55 s VAL 108 CO 0.00 0.16 -0.16 -1.10 0.00 0.00 0.00 175.10 174.00 2a55 s GLN 109 N 0.69 1.22 2.09 2.72 -0.21 -1.26 -4.67 119.66 120.24 2a55 s GLN 109 Ca -0.08 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 54.66 2a55 s GLN 109 Cb -0.11 -1.21 0.00 0.00 1.00 0.00 0.00 33.01 32.69 2a55 s GLN 109 CO -0.01 0.32 0.00 -0.25 -2.12 0.00 0.00 175.29 173.24 2a55 n ASP 110 N 2.43 0.00 -0.68 5.90 9.92 -1.26 -2.25 116.55 130.62 2a55 n ASP 110 Ca -0.15 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.07 2a55 n ASP 110 Cb 0.54 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.99 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2a55 n ARG 111 N 0.00 0.00 -0.64 -1.24 1.85 -1.26 -4.96 116.66 110.41 2a55 n ARG 111 Ca 0.00 -0.46 0.02 0.00 -1.00 0.00 0.00 57.85 56.41 2a55 n ARG 111 Cb 0.00 0.33 0.02 0.00 -1.05 0.00 0.00 32.46 31.76 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 1.05 1.39 2.89 0.00 -0.95 -5.13 105.19 104.44 2a55 n GLY 112 Ca -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2a55 n GLY 112 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2a55 n VAL 113 N -0.06 -2.80 -4.64 1.61 3.14 -1.23 -4.87 118.33 109.48 2a55 n VAL 113 Ca 0.03 1.30 -0.29 0.00 -2.96 0.00 0.00 64.34 62.42 2a55 n VAL 113 Cb 0.77 -1.84 -0.14 0.00 -1.06 0.00 0.00 33.84 31.57 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2a55 s GLY 114 N -3.63 1.42 -0.32 7.55 0.00 0.22 -4.53 107.32 108.04 2a55 s GLY 114 Ca 0.00 -1.32 -0.12 0.00 0.00 0.00 0.00 44.72 43.28 2a55 s GLY 114 CO 0.00 -1.25 0.22 0.86 0.00 0.00 0.00 173.10 172.94 2a55 s TRP 115 N -0.93 3.23 0.04 1.90 -0.00 -1.26 -1.59 118.94 120.34 2a55 s TRP 115 Ca 0.12 -0.06 -0.14 0.00 -0.00 0.00 0.00 56.10 56.02 2a55 s TRP 115 Cb -0.10 -2.44 -0.06 0.00 -0.00 0.00 0.00 33.47 30.87 2a55 s TRP 115 CO 0.04 -0.28 1.22 0.66 -0.00 0.00 0.00 176.95 178.59 2a55 h SER 116 N 8.44 -0.67 -4.21 5.86 4.64 -1.92 -3.45 113.55 122.24 2a55 h SER 116 Ca -0.33 0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 60.94 2a55 h SER 116 Cb 1.17 0.25 -0.23 0.00 -0.31 0.00 0.00 62.40 63.28 2a55 h SER 116 CO 0.60 -0.21 -0.25 -1.00 -0.87 0.00 0.00 176.83 175.10 2a55 s HIS 117 N -4.09 -0.37 0.00 4.77 3.76 -1.26 -5.09 115.29 113.01 2a55 s HIS 117 Ca -0.06 0.84 0.00 0.00 -0.15 0.00 0.00 55.06 55.69 2a55 s HIS 117 Cb 0.03 0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.86 2a55 s HIS 117 CO 0.24 -0.27 0.00 -0.35 -0.85 0.00 0.00 174.74 173.51 2a55 n PRO 118 N 2.38 3.50 -1.48 8.40 -0.05 -1.26 -4.85 135.00 141.64 2a55 n PRO 118 Ca -0.16 0.00 -0.41 0.00 -0.05 0.00 0.00 63.50 62.88 2a55 n PRO 118 Cb 0.57 0.00 0.01 0.00 -0.05 0.00 0.00 33.50 34.03 2a55 n PRO 118 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 2a55 n LEU 119 N 0.00 0.56 0.00 1.53 7.99 -1.26 -4.99 117.00 120.83 2a55 n LEU 119 Ca 0.00 0.91 0.00 0.00 -0.01 0.00 0.00 56.01 56.91 2a55 n LEU 119 Cb 0.00 -1.16 0.00 0.00 -0.11 0.00 0.00 43.42 42.15 2a55 n LEU 119 CO 0.00 -2.65 0.00 -0.81 -1.51 0.00 0.00 177.39 172.42 2a55 n PRO 120 N 0.42 1.86 -3.64 3.23 -0.04 -1.26 -5.02 135.00 130.55 2a55 n PRO 120 Ca 0.11 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.31 2a55 n PRO 120 Cb 0.40 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.69 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2a55 s GLN 121 N 1.05 0.19 -0.44 0.54 2.00 0.21 -4.96 119.66 118.26 2a55 s GLN 121 Ca 0.00 -0.13 -0.14 0.00 -2.00 0.00 0.00 55.36 53.09 2a55 s GLN 121 Cb 0.00 -1.82 0.06 0.00 0.80 0.00 0.00 33.01 32.05 2a55 s GLN 121 CO 0.00 -0.64 0.34 0.00 -0.50 0.00 0.00 175.29 174.48 2a55 s GLU 123 N 1.61 1.14 0.33 0.00 2.56 -1.19 -4.86 118.70 118.30 2a55 s GLU 123 Ca 0.04 -1.08 -0.28 0.00 0.00 0.00 0.00 54.97 53.65 2a55 s GLU 123 Cb -0.22 -1.34 -0.13 0.00 2.00 0.00 0.00 34.13 34.44 2a55 s GLU 123 CO 0.07 0.32 1.25 1.51 -0.56 0.00 0.00 175.26 177.85 2a55 n ILE 124 N 1.30 1.97 0.47 -3.70 0.13 -1.25 -1.25 119.36 117.02 2a55 n ILE 124 Ca -0.19 -0.49 0.05 0.00 -1.10 0.00 0.00 62.75 61.02 2a55 n ILE 124 Cb 0.54 -1.49 -0.06 0.00 -0.84 0.00 0.00 39.64 37.78 2a55 n ILE 124 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2a55 n LEU 125 N 0.86 0.47 -4.36 9.51 -0.00 0.98 -4.82 117.00 119.63 2a55 n LEU 125 Ca 0.05 -0.46 -0.41 0.00 -0.00 0.00 0.00 56.01 55.20 2a55 n LEU 125 Cb 0.35 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.66 2a55 n LEU 125 CO 0.62 0.12 -0.15 -0.70 -0.00 0.00 0.00 177.39 177.28 2a55 s GLU 126 N -2.09 2.79 0.00 1.47 2.12 -1.26 -4.80 118.70 116.92 2a55 s GLU 126 Ca 0.03 -1.14 0.00 0.00 0.36 0.00 0.00 54.97 54.23 2a55 s GLU 126 Cb 0.08 -3.74 0.00 0.00 0.26 0.00 0.00 34.13 30.73 2a55 s GLU 126 CO 0.45 -0.74 0.00 1.58 -0.54 0.00 0.00 175.26 176.01 2a55 n HIS 127 N 4.99 0.00 -4.68 5.30 -0.00 -1.26 -5.09 115.22 114.48 2a55 n HIS 127 Ca -0.12 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.73 2a55 n HIS 127 Cb 0.45 0.04 -0.13 0.00 -0.12 0.00 0.00 29.99 30.24 2a55 n HIS 127 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2a55 s HIS 128 N -1.09 2.87 -0.02 1.57 3.76 -1.26 -5.09 115.29 116.03 2a55 s HIS 128 Ca 0.00 -0.28 -0.30 0.00 -0.15 0.00 0.00 55.06 54.33 2a55 s HIS 128 Cb 0.00 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.87 2a55 s HIS 128 CO 0.00 0.06 1.12 -1.01 -0.85 0.00 0.00 174.74 174.06 2a55 s HIS 129 N -0.20 3.42 0.03 1.40 0.09 -1.26 -4.98 115.29 113.79 2a55 s HIS 129 Ca 0.02 1.41 -0.30 0.00 -0.00 0.00 0.00 55.06 56.18 2a55 s HIS 129 Cb -0.13 -3.32 -0.07 0.00 -0.00 0.00 0.00 32.58 29.07 2a55 s HIS 129 CO 0.03 -0.83 1.53 -1.58 -0.00 0.00 0.00 174.74 173.89 2a55 s HIS 130 N 1.58 2.60 0.00 1.40 5.04 -1.26 -4.73 115.29 119.92 2a55 s HIS 130 Ca 0.55 0.55 0.00 0.00 -1.54 0.00 0.00 55.06 54.62 2a55 s HIS 130 Cb -0.24 -3.82 0.00 0.00 0.04 0.00 0.00 32.58 28.56 2a55 s HIS 130 CO 0.25 -3.19 0.00 1.58 -2.34 0.00 0.00 174.74 171.03 2a55 n HIS 131 N 5.58 0.00 0.63 3.88 -0.00 -1.26 -5.30 115.22 118.75 2a55 n HIS 131 Ca 0.15 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.38 2a55 n HIS 131 Cb 0.42 0.00 0.30 0.00 -0.12 0.00 0.00 29.99 30.59 2a55 n HIS 131 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52