#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 4.25 0.00 7.83 -0.87 -1.26 -4.09 114.94 120.79 2a55 s ASN 1 Ca 0.00 -0.77 0.28 0.00 -1.57 0.00 0.00 52.86 50.80 2a55 s ASN 1 Cb 0.00 -0.67 0.97 0.00 -0.02 0.00 0.00 41.25 41.52 2a55 s ASN 1 CO 0.00 0.01 1.69 0.00 -2.57 0.00 0.00 177.10 176.23 2a55 n GLY 3 N 1.25 0.72 3.58 0.00 0.00 -1.26 -4.17 105.19 105.31 2a55 n GLY 3 Ca 0.16 -1.71 -0.54 0.00 0.00 0.00 0.00 46.02 43.92 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 0.82 0.89 -1.59 1.61 -0.02 -1.18 -4.76 135.00 130.76 2a55 n PRO 4 Ca 0.00 0.32 -0.50 0.00 -2.02 0.00 0.00 63.50 61.30 2a55 n PRO 4 Cb 0.00 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 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 2.51 1.61 -0.36 0.52 -0.02 -1.26 -4.94 135.00 133.06 2a55 n PRO 5 Ca 0.19 0.53 -0.23 0.00 -2.02 0.00 0.00 63.50 61.98 2a55 n PRO 5 Cb 0.16 -2.58 0.22 0.00 -0.02 0.00 0.00 33.50 31.28 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 7.31 -3.11 -3.52 0.52 -0.04 -1.26 -4.97 135.00 129.93 2a55 n PRO 6 Ca 0.31 -1.08 -0.37 0.00 -0.04 0.00 0.00 63.50 62.32 2a55 n PRO 6 Cb 0.27 -1.67 -0.07 0.00 -0.04 0.00 0.00 33.50 31.98 2a55 n PRO 6 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2a55 s THR 7 N -2.07 5.29 -0.33 0.52 2.01 -1.26 -5.06 115.64 114.73 2a55 s THR 7 Ca 0.50 0.59 -0.06 0.00 0.31 0.00 0.00 61.69 63.03 2a55 s THR 7 Cb -0.09 -3.65 0.04 0.00 0.01 0.00 0.00 72.50 68.82 2a55 s THR 7 CO 0.42 0.39 0.09 -0.76 -0.69 0.00 0.00 174.62 174.07 2a55 s LEU 8 N 0.40 4.25 0.00 4.42 1.02 -1.26 -4.93 118.68 122.58 2a55 s LEU 8 Ca 0.18 -1.15 0.14 0.00 0.02 0.00 0.00 54.13 53.31 2a55 s LEU 8 Cb -0.13 -1.85 0.66 0.00 0.02 0.00 0.00 46.19 44.90 2a55 s LEU 8 CO 0.05 -0.31 1.40 -1.54 0.02 0.00 0.00 176.35 175.96 2a55 n SER 9 N 4.78 0.00 -2.26 2.29 3.41 -1.26 -2.47 113.62 118.11 2a55 n SER 9 Ca -0.13 0.24 -0.27 0.00 -0.26 0.00 0.00 58.87 58.45 2a55 n SER 9 Cb 0.44 -0.36 0.02 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.36 3.02 0.00 7.33 -1.74 -1.26 -4.99 117.46 118.46 2a55 n PHE 10 Ca 0.05 -2.59 0.00 0.00 -0.56 0.00 0.00 57.45 54.35 2a55 n PHE 10 Cb 0.13 -0.48 0.00 0.00 1.52 0.00 0.00 39.48 40.65 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 -0.66 0.00 -2.63 1.98 0.00 -1.03 -4.80 120.51 113.36 2a55 n ALA 11 Ca 0.46 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.66 2a55 n ALA 11 Cb 0.79 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.99 1.31 0.62 0.00 0.00 -1.22 -4.27 121.76 116.20 2a55 s ALA 12 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 2a55 s ALA 12 Cb 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 23.12 22.67 2a55 s ALA 12 CO 0.00 0.30 0.36 -2.30 0.00 0.00 0.00 175.76 174.12 2a55 n PRO 13 N 2.82 0.34 0.00 0.00 -0.02 -1.26 -0.10 135.00 136.77 2a55 n PRO 13 Ca -0.15 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2a55 n PRO 13 Cb 0.54 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 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 0.12 0.00 -0.52 1.56 -1.26 -4.67 117.12 112.47 2a55 n MET 14 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.53 2a55 n MET 14 Cb 0.48 -0.01 0.00 0.00 2.15 0.00 0.00 33.22 35.84 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 -0.15 0.08 0.00 6.12 2.03 -1.26 -4.78 116.55 118.59 2a55 n ASP 15 Ca 0.00 -1.02 0.10 0.00 0.52 0.00 0.00 54.79 54.39 2a55 n ASP 15 Cb 0.00 0.00 0.43 0.00 -0.72 0.00 0.00 41.12 40.83 2a55 n ASP 15 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2a55 n ILE 16 N -0.01 0.63 -2.93 5.18 -5.35 -1.26 -4.78 119.36 110.83 2a55 n ILE 16 Ca 0.00 0.15 -0.02 0.00 -0.27 0.00 0.00 62.75 62.61 2a55 n ILE 16 Cb 0.33 -0.81 -0.01 0.00 -1.74 0.00 0.00 39.64 37.40 2a55 n ILE 16 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2a55 n THR 17 N -1.52 -5.05 -1.40 7.28 -2.24 -1.26 -4.70 114.28 105.38 2a55 n THR 17 Ca 0.05 0.95 -0.39 0.00 -2.27 0.00 0.00 64.05 62.38 2a55 n THR 17 Cb 0.24 -3.91 -0.02 0.00 -2.10 0.00 0.00 70.33 64.54 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 2.16 6.60 0.00 3.22 7.99 -1.26 -3.97 117.00 131.73 2a55 n LEU 18 Ca -0.13 -3.82 0.00 0.00 -0.01 0.00 0.00 56.01 52.05 2a55 n LEU 18 Cb 0.24 -1.47 0.00 0.00 -0.11 0.00 0.00 43.42 42.08 2a55 n LEU 18 CO 0.14 1.02 -0.31 0.35 -1.51 0.00 0.00 177.39 177.08 2a55 n THR 19 N 4.78 0.00 -4.00 -5.08 -2.24 -1.26 -5.07 114.28 101.41 2a55 n THR 19 Ca 0.57 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 2a55 n THR 19 Cb 0.32 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.17 1.62 0.00 -0.78 -0.58 -1.26 -5.08 120.64 113.40 2a55 n GLU 20 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2a55 n GLU 20 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 0.00 0.00 -4.36 2.62 -1.04 -1.26 -5.08 114.28 105.16 2a55 n THR 21 Ca 0.00 -0.07 -0.26 0.00 -2.04 0.00 0.00 64.05 61.67 2a55 n THR 21 Cb 0.00 0.90 -0.12 0.00 -1.82 0.00 0.00 70.33 69.28 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 -0.19 1.32 -0.34 -2.82 0.52 -1.26 -3.10 118.95 113.08 2a55 s ARG 22 Ca 0.00 -1.32 0.01 0.00 -0.52 0.00 0.00 55.73 53.90 2a55 s ARG 22 Cb 0.00 -1.68 0.14 0.00 0.52 0.00 0.00 34.95 33.93 2a55 s ARG 22 CO 0.00 0.39 0.31 -0.06 0.02 0.00 0.00 175.30 175.95 2a55 s PHE 23 N -1.27 -0.10 0.99 -0.53 0.40 -1.26 -5.06 117.98 111.15 2a55 s PHE 23 Ca 0.13 -0.81 -0.22 0.00 -0.60 0.00 0.00 56.93 55.43 2a55 s PHE 23 Cb -0.09 -0.55 -0.17 0.00 0.51 0.00 0.00 43.02 42.71 2a55 s PHE 23 CO 0.06 -0.92 -1.16 0.36 0.70 0.00 0.00 175.22 174.26 2a55 n LYS 24 N 4.56 0.00 -0.53 0.44 2.85 -1.26 -4.30 118.16 119.91 2a55 n LYS 24 Ca 0.07 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.04 2a55 n LYS 24 Cb 0.44 -0.99 0.25 0.00 -0.65 0.00 0.00 35.03 34.07 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 -1.98 2.01 0.00 0.58 -4.23 -1.26 -2.41 115.64 108.36 2a55 s THR 25 Ca 0.38 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 2a55 s THR 25 Cb -0.04 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.77 2a55 s THR 25 CO 0.74 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.42 2a55 n GLY 26 N 0.82 1.71 3.68 3.99 0.00 -1.00 -4.85 105.19 109.53 2a55 n GLY 26 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.32 2.18 -3.69 2.61 5.66 -1.01 -4.86 114.28 113.85 2a55 n THR 27 Ca 0.00 -0.23 -0.12 0.00 -3.05 0.00 0.00 64.05 60.65 2a55 n THR 27 Cb 0.00 -1.19 -0.12 0.00 -1.55 0.00 0.00 70.33 67.47 2a55 n THR 27 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2a55 s THR 28 N -2.07 -0.28 0.00 1.09 2.01 -1.26 -3.71 115.64 111.42 2a55 s THR 28 Ca 0.73 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.92 2a55 s THR 28 Cb -0.30 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 71.71 2a55 s THR 28 CO 0.51 0.08 0.00 0.18 -0.69 0.00 0.00 174.62 174.69 2a55 n LEU 29 N 4.83 0.00 0.00 4.42 4.32 -1.17 -4.95 117.00 124.45 2a55 n LEU 29 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 2a55 n LEU 29 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 2a55 n LEU 29 CO 0.06 0.00 0.00 1.17 -1.22 0.00 0.00 177.39 177.40 2a55 n LYS 30 N 0.00 0.00 -0.82 3.23 4.81 -1.26 -4.73 118.16 119.39 2a55 n LYS 30 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2a55 n LYS 30 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2a55 n TYR 31 N -1.55 -2.23 -1.86 5.64 4.01 -1.26 -4.03 117.16 115.88 2a55 n TYR 31 Ca 0.00 1.18 0.00 0.00 -0.16 0.00 0.00 57.90 58.92 2a55 n TYR 31 Cb 0.00 -2.35 0.00 0.00 -0.31 0.00 0.00 39.34 36.68 2a55 n TYR 31 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2a55 n THR 32 N -0.67 0.00 -3.35 -0.72 -2.24 0.85 -4.79 114.28 103.36 2a55 n THR 32 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 2a55 n THR 32 Cb 0.00 -1.38 -0.08 0.00 -2.10 0.00 0.00 70.33 66.77 2a55 n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a55 n LEU 34 N 5.36 -2.64 -4.44 0.00 4.77 -1.26 -4.57 117.00 114.23 2a55 n LEU 34 Ca -0.03 0.78 -0.55 0.00 -0.03 0.00 0.00 56.01 56.19 2a55 n LEU 34 Cb 0.50 -0.91 -0.08 0.00 -2.33 0.00 0.00 43.42 40.60 2a55 n LEU 34 CO 0.05 -4.17 1.70 -0.81 -1.33 0.00 0.00 177.39 172.84 2a55 n PRO 35 N 1.25 0.78 0.00 3.23 -0.04 -1.26 -0.48 135.00 138.48 2a55 n PRO 35 Ca 0.11 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2a55 n PRO 35 Cb 0.42 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 2a55 n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a55 n GLY 36 N 6.42 0.95 3.54 0.55 0.00 -1.26 -5.03 105.19 110.36 2a55 n GLY 36 Ca 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.03 0.91 -2.86 1.61 4.01 0.37 -2.99 117.16 118.16 2a55 n TYR 37 Ca 0.00 -0.03 -0.41 0.00 -0.16 0.00 0.00 57.90 57.30 2a55 n TYR 37 Cb 0.00 -2.19 -0.04 0.00 -0.31 0.00 0.00 39.34 36.80 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 12.06 4.91 0.24 -0.72 1.01 -1.26 -4.50 120.40 132.14 2a55 s VAL 38 Ca 0.97 1.74 0.05 0.00 0.00 0.00 0.00 61.98 64.75 2a55 s VAL 38 Cb -0.25 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 2a55 s VAL 38 CO 0.18 0.12 0.33 0.00 0.00 0.00 0.00 175.10 175.73 2a55 s ARG 39 N 1.44 3.36 -0.28 2.72 1.70 -1.26 0.14 118.95 126.76 2a55 s ARG 39 Ca 0.43 -0.80 0.08 0.00 -0.47 0.00 0.00 55.73 54.97 2a55 s ARG 39 Cb -0.18 -2.84 0.46 0.00 -0.57 0.00 0.00 34.95 31.81 2a55 s ARG 39 CO 0.19 0.43 1.19 0.45 -1.08 0.00 0.00 175.30 176.48 2a55 n SER 40 N -1.32 4.61 0.00 -2.89 2.88 -1.13 -4.86 113.62 110.91 2a55 n SER 40 Ca -0.09 -3.70 0.00 0.00 -1.33 0.00 0.00 58.87 53.75 2a55 n SER 40 Cb 0.57 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 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 -0.73 0.00 0.00 0.66 -0.00 -1.26 -4.87 115.22 109.02 2a55 n HIS 41 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.13 2a55 n HIS 41 Cb 0.95 0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.98 2a55 n HIS 41 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2a55 n SER 42 N 1.65 0.00 -2.08 0.41 2.88 -1.26 -4.57 113.62 110.64 2a55 n SER 42 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 2a55 n SER 42 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 -2.11 2.46 -1.04 -1.26 -4.99 114.28 107.34 2a55 n THR 43 Ca 0.00 -0.64 -0.04 0.00 -2.04 0.00 0.00 64.05 61.33 2a55 n THR 43 Cb 0.00 0.60 -0.00 0.00 -1.82 0.00 0.00 70.33 69.11 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 -0.32 0.32 0.00 -2.82 10.64 -1.26 -4.46 117.38 119.47 2a55 n GLN 44 Ca -0.05 -0.76 0.00 0.00 -1.83 0.00 0.00 57.00 54.36 2a55 n GLN 44 Cb 0.36 0.44 0.00 0.00 -0.86 0.00 0.00 30.24 30.17 2a55 n GLN 44 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2a55 n THR 45 N -0.37 0.00 -3.59 -0.39 5.66 -1.26 -4.59 114.28 109.75 2a55 n THR 45 Ca -0.18 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.62 2a55 n THR 45 Cb 0.64 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.39 2a55 n THR 45 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2a55 s LEU 46 N 0.00 3.62 -0.02 1.09 1.43 -1.26 -4.73 118.68 118.82 2a55 s LEU 46 Ca 0.00 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 2a55 s LEU 46 Cb 0.00 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.91 2a55 s LEU 46 CO 0.00 -0.49 0.26 -0.89 0.23 0.00 0.00 176.35 175.46 2a55 s THR 47 N -2.33 0.06 -0.28 5.49 2.01 -1.21 -3.03 115.64 116.35 2a55 s THR 47 Ca 0.45 -0.50 -0.22 0.00 0.31 0.00 0.00 61.69 61.72 2a55 s THR 47 Cb -0.06 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 71.90 2a55 s THR 47 CO 0.28 -0.28 0.73 0.00 -0.69 0.00 0.00 174.62 174.67 2a55 s ASN 49 N 1.54 4.68 -1.36 0.00 4.22 -1.22 -2.38 114.94 120.42 2a55 s ASN 49 Ca 0.30 -0.65 -0.07 0.00 -2.14 0.00 0.00 52.86 50.29 2a55 s ASN 49 Cb -0.15 0.23 0.10 0.00 1.28 0.00 0.00 41.25 42.71 2a55 s ASN 49 CO 0.10 -1.64 2.32 -0.24 -2.04 0.00 0.00 177.10 175.60 2a55 n SER 50 N -2.56 7.18 0.00 3.54 2.88 -1.26 -3.43 113.62 119.97 2a55 n SER 50 Ca 0.16 -3.05 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 2a55 n SER 50 Cb 0.61 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 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 2.71 0.00 -1.36 -3.46 -0.08 -1.26 -4.99 116.55 108.12 2a55 n ASP 51 Ca 0.58 -1.00 -0.17 0.00 -1.51 0.00 0.00 54.79 52.70 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 1.57 3.26 0.27 0.00 -1.22 -4.94 105.19 104.13 2a55 n GLY 52 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.37 1.06 -0.44 1.61 -1.05 -1.26 -4.38 118.70 110.87 2a55 s GLU 53 Ca 0.00 -1.22 -0.24 0.00 -0.15 0.00 0.00 54.97 53.36 2a55 s GLU 53 Cb 0.00 -1.06 0.02 0.00 -0.44 0.00 0.00 34.13 32.65 2a55 s GLU 53 CO 0.00 0.22 0.86 -1.58 0.95 0.00 0.00 175.26 175.70 2a55 s TRP 54 N -1.83 2.98 0.05 4.83 0.52 -1.26 -3.38 118.94 120.84 2a55 s TRP 54 Ca 0.08 0.35 -0.06 0.00 0.02 0.00 0.00 56.10 56.49 2a55 s TRP 54 Cb -0.07 -3.77 -0.05 0.00 -1.15 0.00 0.00 33.47 28.44 2a55 s TRP 54 CO 0.04 -1.00 0.30 0.08 0.02 0.00 0.00 176.95 176.39 2a55 s VAL 55 N 3.48 5.26 0.00 4.03 1.01 -1.13 -4.95 120.40 128.11 2a55 s VAL 55 Ca 0.34 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2a55 s VAL 55 Cb -0.11 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2a55 s VAL 55 CO 0.23 0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.61 2a55 n TYR 56 N 0.82 0.00 -4.03 5.22 4.11 -1.26 -3.36 117.16 118.66 2a55 n TYR 56 Ca -0.09 0.00 -0.22 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 39.82 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 5.17 -0.64 9.48 0.01 -1.26 -5.07 114.94 122.63 2a55 s ASN 57 Ca 0.00 -0.48 -0.25 0.00 -0.71 0.00 0.00 52.86 51.42 2a55 s ASN 57 Cb 0.00 -1.07 0.04 0.00 0.41 0.00 0.00 41.25 40.64 2a55 s ASN 57 CO 0.00 -0.19 1.09 -0.89 -1.51 0.00 0.00 177.10 175.60 2a55 s THR 58 N -2.27 4.11 0.00 1.60 2.01 -1.26 -4.83 115.64 115.00 2a55 s THR 58 Ca 0.36 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.62 2a55 s THR 58 Cb -0.06 -4.73 0.00 0.00 0.01 0.00 0.00 72.50 67.72 2a55 s THR 58 CO 0.24 -1.47 0.00 2.22 -0.69 0.00 0.00 174.62 174.92 2a55 n PHE 59 N 8.28 0.00 -1.99 4.92 1.16 -1.26 -4.63 117.46 123.93 2a55 n PHE 59 Ca 0.02 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.21 2a55 n PHE 59 Cb 0.48 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.32 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 7.33 0.15 -1.80 0.00 -5.35 0.36 -4.71 119.36 115.34 2a55 n ILE 61 Ca 0.22 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.62 2a55 n ILE 61 Cb 0.51 -0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 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 -1.71 -4.26 -3.54 4.28 4.19 -0.26 -4.77 117.16 111.10 2a55 n TYR 62 Ca 0.06 2.51 0.00 0.00 3.31 0.00 0.00 57.90 63.78 2a55 n TYR 62 Cb 0.37 -3.45 -0.03 0.00 0.49 0.00 0.00 39.34 36.71 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 -1.22 0.58 0.16 2.98 -2.85 -1.16 -4.68 119.74 113.54 2a55 s LYS 63 Ca 0.00 1.36 0.06 0.00 -1.00 0.00 0.00 55.97 56.38 2a55 s LYS 63 Cb 0.00 0.81 -0.04 0.00 -2.06 0.00 0.00 37.83 36.53 2a55 s LYS 63 CO 0.00 -0.30 -0.12 -0.98 0.10 0.00 0.00 175.35 174.05 2a55 s ARG 64 N 2.89 1.11 -0.13 1.78 1.70 -1.26 -3.39 118.95 121.65 2a55 s ARG 64 Ca 0.00 -1.44 -0.12 0.00 -0.47 0.00 0.00 55.73 53.71 2a55 s ARG 64 Cb -0.13 -0.80 -0.05 0.00 -0.57 0.00 0.00 34.95 33.41 2a55 s ARG 64 CO -0.19 0.12 0.24 0.00 -1.08 0.00 0.00 175.30 174.39 2a55 n ARG 66 N 2.92 1.67 -1.63 0.00 3.00 -1.26 -4.76 116.66 116.60 2a55 n ARG 66 Ca -0.15 0.59 -0.52 0.00 -0.00 0.00 0.00 57.85 57.77 2a55 n ARG 66 Cb 0.53 -2.16 -0.06 0.00 0.00 0.00 0.00 32.46 30.76 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 1.49 2.05 -0.50 -0.14 -0.00 -1.26 -4.78 115.22 112.07 2a55 n HIS 67 Ca 0.12 0.27 0.41 0.00 -0.00 0.00 0.00 57.72 58.52 2a55 n HIS 67 Cb 0.29 -2.56 0.70 0.00 -0.00 0.00 0.00 29.99 28.42 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2a55 h PRO 68 N 9.33 0.03 0.00 1.57 0.11 -1.98 -3.47 132.00 137.59 2a55 h PRO 68 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2a55 h PRO 68 Cb 1.30 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2a55 h PRO 68 CO 0.97 0.02 0.00 0.41 -0.21 0.00 0.00 178.00 179.19 2a55 n GLY 69 N -1.59 -1.06 3.73 -0.55 0.00 -1.26 -4.61 105.19 99.86 2a55 n GLY 69 Ca 0.40 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 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 4.67 -0.70 1.61 -6.30 -1.26 -4.88 118.70 111.84 2a55 s GLU 70 Ca 0.00 1.52 -0.19 0.00 -2.50 0.00 0.00 54.97 53.81 2a55 s GLU 70 Cb 0.00 -3.35 0.12 0.00 0.00 0.00 0.00 34.13 30.90 2a55 s GLU 70 CO 0.00 0.17 0.82 -1.17 0.02 0.00 0.00 175.26 175.11 2a55 s LEU 71 N -0.08 5.43 -0.02 2.70 0.20 -1.26 -5.01 118.68 120.64 2a55 s LEU 71 Ca 0.48 -1.70 -0.30 0.00 0.69 0.00 0.00 54.13 53.30 2a55 s LEU 71 Cb -0.25 -2.32 -0.08 0.00 -0.43 0.00 0.00 46.19 43.11 2a55 s LEU 71 CO 0.31 -1.06 1.95 -0.60 -0.29 0.00 0.00 176.35 176.66 2a55 s ARG 72 N 2.46 4.01 -0.89 1.98 3.52 -1.26 -0.54 118.95 128.22 2a55 s ARG 72 Ca 0.18 2.45 -0.01 0.00 -0.13 0.00 0.00 55.73 58.22 2a55 s ARG 72 Cb -0.18 -4.16 0.00 0.00 -1.56 0.00 0.00 34.95 29.05 2a55 s ARG 72 CO 0.01 -1.10 0.75 0.09 -0.81 0.00 0.00 175.30 174.24 2a55 n ASN 73 N 8.05 -2.44 -3.66 -2.12 3.02 -1.26 -4.77 115.26 112.08 2a55 n ASN 73 Ca 0.21 -0.45 0.01 0.00 -0.03 0.00 0.00 54.58 54.32 2a55 n ASN 73 Cb 0.42 -3.87 0.01 0.00 -0.61 0.00 0.00 39.78 35.73 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 -3.90 -0.08 -0.02 7.41 0.00 0.30 -2.76 107.32 108.27 2a55 s GLY 74 Ca 0.05 -0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.77 2a55 s GLY 74 CO 0.53 4.07 -0.09 1.20 0.00 0.00 0.00 173.10 178.81 2a55 s GLN 75 N -2.12 0.91 -0.40 2.90 -1.52 0.18 -4.53 119.66 115.08 2a55 s GLN 75 Ca 0.25 -0.29 -0.09 0.00 -1.95 0.00 0.00 55.36 53.29 2a55 s GLN 75 Cb -0.01 -0.85 0.06 0.00 -0.22 0.00 0.00 33.01 31.99 2a55 s GLN 75 CO 0.01 0.11 0.22 0.08 -0.25 0.00 0.00 175.29 175.46 2a55 s VAL 76 N 0.19 4.21 -1.06 1.09 1.01 -1.26 -1.52 120.40 123.06 2a55 s VAL 76 Ca -0.03 -1.26 -0.24 0.00 0.00 0.00 0.00 61.98 60.46 2a55 s VAL 76 Cb -0.08 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.71 2a55 s VAL 76 CO 0.00 -0.40 1.97 -0.70 0.00 0.00 0.00 175.10 175.97 2a55 s GLU 77 N 1.44 2.42 -0.30 2.72 2.12 -0.62 -4.90 118.70 121.58 2a55 s GLU 77 Ca 0.02 -0.74 -0.08 0.00 0.36 0.00 0.00 54.97 54.53 2a55 s GLU 77 Cb -0.22 -5.14 -0.00 0.00 0.26 0.00 0.00 34.13 29.03 2a55 s GLU 77 CO 0.03 -3.85 0.12 0.42 -0.54 0.00 0.00 175.26 171.44 2a55 s ILE 78 N 11.12 4.34 0.00 -3.70 -1.09 -1.26 -4.42 121.20 126.19 2a55 s ILE 78 Ca 0.71 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 58.61 2a55 s ILE 78 Cb -0.04 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 2a55 s ILE 78 CO 0.08 0.08 0.00 2.29 -1.23 0.00 0.00 174.94 176.16 2a55 n LYS 79 N 4.94 0.00 0.00 2.79 0.00 -1.26 -4.83 118.16 119.79 2a55 n LYS 79 Ca -0.14 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.21 2a55 n LYS 79 Cb 0.49 -0.29 0.24 0.00 -0.00 0.00 0.00 35.03 35.47 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 -2.09 0.00 -0.99 0.58 -2.24 -1.26 -4.79 114.28 103.48 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 0.05 -0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 67.75 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 -0.76 -5.64 -3.01 3.42 9.92 -1.26 -1.58 116.55 117.63 2a55 n ASP 81 Ca 0.06 0.03 -0.14 0.00 -0.53 0.00 0.00 54.79 54.22 2a55 n ASP 81 Cb 0.03 -3.42 0.07 0.00 -0.64 0.00 0.00 41.12 37.16 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2a55 n LEU 82 N -0.15 -3.96 -1.26 0.64 7.99 -1.26 -4.75 117.00 114.24 2a55 n LEU 82 Ca -0.01 -0.53 -0.03 0.00 -0.01 0.00 0.00 56.01 55.43 2a55 n LEU 82 Cb 0.48 -2.70 0.01 0.00 -0.11 0.00 0.00 43.42 41.11 2a55 n LEU 82 CO 0.02 0.27 0.72 -1.54 -1.51 0.00 0.00 177.39 175.35 2a55 n SER 83 N -2.80 3.87 -1.86 -1.43 3.41 -0.62 -2.59 113.62 111.60 2a55 n SER 83 Ca -0.21 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 2a55 n SER 83 Cb 0.63 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 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 0.64 -4.75 -2.32 7.33 7.35 -1.22 -4.85 117.46 119.64 2a55 n PHE 84 Ca 0.06 2.49 0.00 0.00 -0.76 0.00 0.00 57.45 59.24 2a55 n PHE 84 Cb 0.58 -3.64 0.00 0.00 0.35 0.00 0.00 39.48 36.78 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 0.10 0.93 3.11 7.13 0.00 -0.69 -4.98 105.19 110.79 2a55 n GLY 85 Ca 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.94 0.57 -0.10 1.61 1.04 -1.26 -4.92 113.70 107.70 2a55 s SER 86 Ca 0.00 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.43 2a55 s SER 86 Cb 0.00 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 2a55 s SER 86 CO 0.00 -0.59 -0.15 -1.58 0.98 0.00 0.00 173.24 171.90 2a55 s GLN 87 N -3.92 3.07 -0.38 4.02 -0.44 -1.25 -1.87 119.66 118.89 2a55 s GLN 87 Ca 0.09 -0.71 0.03 0.00 -2.50 0.00 0.00 55.36 52.27 2a55 s GLN 87 Cb 0.08 -2.52 0.11 0.00 -1.64 0.00 0.00 33.01 29.04 2a55 s GLN 87 CO -0.08 0.34 0.13 0.96 0.50 0.00 0.00 175.29 177.14 2a55 s ILE 88 N 0.01 1.90 0.83 -2.34 -4.36 -0.97 -4.90 121.20 111.37 2a55 s ILE 88 Ca -0.05 -2.35 -0.11 0.00 -0.26 0.00 0.00 60.65 57.88 2a55 s ILE 88 Cb -0.14 -2.38 0.10 0.00 1.25 0.00 0.00 42.46 41.28 2a55 s ILE 88 CO 0.04 -0.70 1.13 -1.61 0.24 0.00 0.00 174.94 174.04 2a55 s GLU 89 N 0.76 1.67 0.48 0.37 2.02 -1.25 -3.83 118.70 118.92 2a55 s GLU 89 Ca 0.13 1.41 0.01 0.00 0.02 0.00 0.00 54.97 56.54 2a55 s GLU 89 Cb -0.21 -1.81 0.01 0.00 0.10 0.00 0.00 34.13 32.22 2a55 s GLU 89 CO -0.09 -2.12 0.08 1.19 0.02 0.00 0.00 175.26 174.34 2a55 n PHE 90 N -3.75 0.74 -3.18 1.61 3.01 -1.09 -1.58 117.46 113.22 2a55 n PHE 90 Ca 0.11 -2.31 0.02 0.00 1.01 0.00 0.00 57.45 56.28 2a55 n PHE 90 Cb 0.52 -0.34 -0.02 0.00 -0.01 0.00 0.00 39.48 39.64 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 -3.70 -1.16 -0.06 4.37 0.01 -0.58 -4.89 113.70 107.70 2a55 s SER 91 Ca 0.06 0.77 -0.27 0.00 1.31 0.00 0.00 55.95 57.83 2a55 s SER 91 Cb -0.00 2.01 -0.03 0.00 0.21 0.00 0.00 66.02 68.21 2a55 s SER 91 CO 0.04 -0.27 0.84 0.00 0.41 0.00 0.00 173.24 174.27 2a55 n SER 93 N 4.16 -2.72 0.00 0.00 7.64 -1.11 -4.64 113.62 116.95 2a55 n SER 93 Ca 0.03 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.58 2a55 n SER 93 Cb 0.51 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 -0.69 0.00 0.00 1.43 2.13 -1.26 -2.43 120.64 119.82 2a55 n GLU 94 Ca 0.05 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.37 2a55 n GLU 94 Cb 0.23 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 30.79 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 -0.89 0.36 3.70 8.31 0.00 -1.26 -4.71 105.19 110.70 2a55 n GLY 95 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.56 0.46 0.22 1.61 0.08 -1.02 -2.70 117.98 116.08 2a55 s PHE 96 Ca 0.00 -1.01 -0.02 0.00 0.12 0.00 0.00 56.93 56.02 2a55 s PHE 96 Cb 0.00 0.55 -0.03 0.00 -0.57 0.00 0.00 43.02 42.96 2a55 s PHE 96 CO 0.00 -1.46 0.21 -0.59 -0.10 0.00 0.00 175.22 173.28 2a55 s PHE 97 N -2.41 1.09 0.10 0.36 -0.71 -1.08 -4.52 117.98 110.81 2a55 s PHE 97 Ca 0.21 -1.31 -0.23 0.00 -1.04 0.00 0.00 56.93 54.56 2a55 s PHE 97 Cb -0.04 -0.45 -0.07 0.00 -1.21 0.00 0.00 43.02 41.26 2a55 s PHE 97 CO 0.15 -0.73 0.69 -1.17 -1.34 0.00 0.00 175.22 172.82 2a55 s LEU 98 N -3.16 4.53 -0.28 -1.99 1.98 -1.26 -3.71 118.68 114.79 2a55 s LEU 98 Ca 0.36 1.44 -0.07 0.00 -2.89 0.00 0.00 54.13 52.97 2a55 s LEU 98 Cb 0.05 -3.12 0.14 0.00 0.66 0.00 0.00 46.19 43.92 2a55 s LEU 98 CO 0.13 0.19 0.59 -0.63 -1.89 0.00 0.00 176.35 174.74 2a55 s ILE 99 N -0.85 -0.92 0.00 6.68 1.01 -1.04 -4.98 121.20 121.09 2a55 s ILE 99 Ca 0.34 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2a55 s ILE 99 Cb -0.21 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.33 2a55 s ILE 99 CO 0.22 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.78 2a55 n GLY 100 N 5.43 1.75 0.00 6.18 0.00 -1.26 0.95 105.19 118.24 2a55 n GLY 100 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.02 1.61 3.41 -1.26 -5.01 113.62 112.39 2a55 n SER 101 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 2a55 n SER 101 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 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 1.81 -4.36 6.66 -2.24 -1.26 -4.54 114.28 110.35 2a55 n THR 102 Ca 0.00 0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 62.02 2a55 n THR 102 Cb 0.00 -1.47 -0.10 0.00 -2.10 0.00 0.00 70.33 66.66 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 -3.05 2.83 -0.16 4.28 -4.23 -1.26 -2.69 115.64 111.36 2a55 s THR 103 Ca 0.00 -1.91 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 2a55 s THR 103 Cb 0.01 -2.41 0.07 0.00 1.34 0.00 0.00 72.50 71.52 2a55 s THR 103 CO 0.04 -0.17 0.19 -0.44 -0.54 0.00 0.00 174.62 173.70 2a55 s SER 104 N -2.93 1.28 -0.15 3.99 0.01 -1.25 -4.93 113.70 109.73 2a55 s SER 104 Ca 0.25 -0.08 -0.12 0.00 1.31 0.00 0.00 55.95 57.31 2a55 s SER 104 Cb -0.08 0.28 -0.05 0.00 0.21 0.00 0.00 66.02 66.39 2a55 s SER 104 CO 0.14 -0.30 0.23 -0.13 0.41 0.00 0.00 173.24 173.58 2a55 s ARG 105 N 2.30 4.05 -0.37 12.44 0.52 -1.26 -2.30 118.95 134.33 2a55 s ARG 105 Ca 0.05 -0.00 -0.25 0.00 -0.52 0.00 0.00 55.73 55.01 2a55 s ARG 105 Cb -0.15 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 31.98 2a55 s ARG 105 CO -0.10 0.40 0.87 0.00 0.02 0.00 0.00 175.30 176.49 2a55 s GLU 107 N 3.33 2.00 -0.04 0.00 2.12 -1.26 -1.70 118.70 123.15 2a55 s GLU 107 Ca 0.35 -2.17 -0.02 0.00 0.36 0.00 0.00 54.97 53.49 2a55 s GLU 107 Cb -0.12 -1.59 0.02 0.00 0.26 0.00 0.00 34.13 32.70 2a55 s GLU 107 CO 0.18 -0.12 0.09 0.08 -0.54 0.00 0.00 175.26 174.95 2a55 s VAL 108 N -2.77 -0.03 0.00 3.70 1.01 -1.26 -2.15 120.40 118.91 2a55 s VAL 108 Ca 0.29 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.41 2a55 s VAL 108 Cb 0.08 -0.15 0.06 0.00 0.00 0.00 0.00 36.38 36.37 2a55 s VAL 108 CO 0.15 0.04 0.96 0.00 0.00 0.00 0.00 175.10 176.25 2a55 n GLN 109 N 3.68 0.00 -1.21 2.72 10.64 -1.26 -4.89 117.38 127.05 2a55 n GLN 109 Ca -0.20 -1.02 0.00 0.00 -1.83 0.00 0.00 57.00 53.94 2a55 n GLN 109 Cb 0.55 -0.33 0.00 0.00 -0.86 0.00 0.00 30.24 29.60 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 0.08 0.00 -1.15 2.61 8.00 -1.26 -5.00 116.55 119.82 2a55 n ASP 110 Ca 0.00 -0.98 0.06 0.00 0.71 0.00 0.00 54.79 54.58 2a55 n ASP 110 Cb 0.74 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 42.08 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 0.00 2.84 -0.37 -1.24 -4.01 -1.26 -3.92 116.66 108.70 2a55 n ARG 111 Ca 0.00 -1.89 0.00 0.00 -1.04 0.00 0.00 57.85 54.92 2a55 n ARG 111 Cb 0.00 -1.69 0.00 0.00 -3.04 0.00 0.00 32.46 27.73 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2a55 n GLY 112 N 0.83 -0.24 1.22 2.89 0.00 -1.26 -4.99 105.19 103.63 2a55 n GLY 112 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.45 -3.47 1.61 0.31 -1.25 -4.75 118.33 108.31 2a55 n VAL 113 Ca 0.00 1.20 -0.27 0.00 -0.01 0.00 0.00 64.34 65.26 2a55 n VAL 113 Cb 0.63 -1.94 -0.10 0.00 -0.91 0.00 0.00 33.84 31.51 2a55 n VAL 113 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a55 n GLY 114 N -2.22 2.70 1.18 2.92 0.00 -0.91 -4.83 105.19 104.03 2a55 n GLY 114 Ca 0.00 -1.66 -0.18 0.00 0.00 0.00 0.00 46.02 44.18 2a55 n GLY 114 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2a55 n TRP 115 N 2.42 0.04 0.06 1.61 5.03 -1.26 -4.60 117.44 120.74 2a55 n TRP 115 Ca 0.27 0.35 -0.11 0.00 3.03 0.00 0.00 57.50 61.03 2a55 n TRP 115 Cb 0.46 -0.69 -0.13 0.00 -1.03 0.00 0.00 31.31 29.91 2a55 n TRP 115 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 177.69 178.69 2a55 h SER 116 N 0.71 0.19 -2.32 -0.99 0.87 -1.90 -3.48 113.55 106.63 2a55 h SER 116 Ca -0.14 -0.23 0.17 0.00 -1.23 0.00 0.00 61.79 60.36 2a55 h SER 116 Cb 0.49 -0.06 -0.31 0.00 -0.44 0.00 0.00 62.40 62.08 2a55 h SER 116 CO 0.21 1.19 0.68 -2.28 -0.53 0.00 0.00 176.83 176.09 2a55 s HIS 117 N -2.66 -0.22 0.00 2.24 5.65 -1.26 -5.08 115.29 113.96 2a55 s HIS 117 Ca -0.03 0.47 0.00 0.00 0.25 0.00 0.00 55.06 55.74 2a55 s HIS 117 Cb 0.08 0.27 0.00 0.00 -1.18 0.00 0.00 32.58 31.75 2a55 s HIS 117 CO 0.84 -0.11 0.00 -0.35 -0.65 0.00 0.00 174.74 174.48 2a55 n PRO 118 N 2.68 3.75 -1.40 2.88 -0.04 -1.26 -4.79 135.00 136.82 2a55 n PRO 118 Ca -0.15 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.84 2a55 n PRO 118 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.00 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 -1.24 0.00 1.53 7.99 -1.26 -4.96 117.00 119.06 2a55 n LEU 119 Ca 0.00 1.09 0.00 0.00 -0.01 0.00 0.00 56.01 57.09 2a55 n LEU 119 Cb 0.00 -0.97 0.00 0.00 -0.11 0.00 0.00 43.42 42.34 2a55 n LEU 119 CO 0.00 -3.04 0.00 -2.65 -1.51 0.00 0.00 177.39 170.19 2a55 n PRO 120 N 1.02 2.56 -3.75 3.23 -0.02 -1.26 -5.01 135.00 131.77 2a55 n PRO 120 Ca 0.16 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.40 2a55 n PRO 120 Cb 0.28 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.58 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 0.65 0.59 -0.36 -0.52 0.74 0.27 -4.96 119.66 116.07 2a55 s GLN 121 Ca 0.00 -0.11 -0.12 0.00 0.05 0.00 0.00 55.36 55.18 2a55 s GLN 121 Cb 0.00 -1.47 0.00 0.00 1.10 0.00 0.00 33.01 32.65 2a55 s GLN 121 CO 0.00 -0.46 0.23 0.00 -0.55 0.00 0.00 175.29 174.51 2a55 s GLU 123 N 1.66 1.00 0.62 0.00 2.12 -1.24 -4.96 118.70 117.89 2a55 s GLU 123 Ca 0.05 -0.56 -0.19 0.00 0.36 0.00 0.00 54.97 54.62 2a55 s GLU 123 Cb -0.18 -0.98 -0.03 0.00 0.26 0.00 0.00 34.13 33.20 2a55 s GLU 123 CO 0.09 0.26 1.21 1.51 -0.54 0.00 0.00 175.26 177.79 2a55 n ILE 124 N 2.46 4.40 0.10 -3.70 3.06 -1.25 -2.63 119.36 121.80 2a55 n ILE 124 Ca -0.15 -0.50 -0.04 0.00 -2.50 0.00 0.00 62.75 59.55 2a55 n ILE 124 Cb 0.55 -1.43 -0.02 0.00 0.54 0.00 0.00 39.64 39.28 2a55 n ILE 124 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 2a55 h LEU 125 N 0.69 -0.24-10.25 9.51 3.38 -1.84 -3.46 115.31 113.11 2a55 h LEU 125 Ca -0.50 0.01 -0.50 0.00 0.09 0.00 0.00 57.88 56.98 2a55 h LEU 125 Cb 1.34 0.06 0.06 0.00 0.09 0.00 0.00 40.66 42.21 2a55 h LEU 125 CO 0.53 -0.03 0.38 -0.70 0.09 0.00 0.00 178.44 178.71 2a55 s GLU 126 N -2.62 3.39 0.00 1.13 2.12 -1.26 -4.93 118.70 116.53 2a55 s GLU 126 Ca -0.04 1.03 0.21 0.00 0.36 0.00 0.00 54.97 56.52 2a55 s GLU 126 Cb 0.00 -2.05 1.23 0.00 0.26 0.00 0.00 34.13 33.57 2a55 s GLU 126 CO 0.12 -0.74 1.73 0.72 -0.54 0.00 0.00 175.26 176.56 2a55 n HIS 127 N -2.31 0.00 -1.82 5.30 8.25 -1.26 -4.78 115.22 118.59 2a55 n HIS 127 Ca 0.08 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.13 2a55 n HIS 127 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 2a55 n HIS 127 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2a55 s HIS 128 N -2.00 1.48 0.00 4.41 5.04 -1.26 -4.59 115.29 118.37 2a55 s HIS 128 Ca 0.31 0.83 0.00 0.00 -1.54 0.00 0.00 55.06 54.66 2a55 s HIS 128 Cb 0.14 -3.96 0.00 0.00 0.04 0.00 0.00 32.58 28.80 2a55 s HIS 128 CO 0.24 -3.02 0.00 1.58 -2.34 0.00 0.00 174.74 171.20 2a55 n HIS 129 N 12.24 0.00 -2.81 3.88 -0.00 -1.26 -5.07 115.22 122.20 2a55 n HIS 129 Ca 0.27 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.45 2a55 n HIS 129 Cb 0.49 0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 2a55 n HIS 129 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2a55 n HIS 130 N -1.77 -3.09 -2.98 1.57 8.25 -1.26 -5.13 115.22 110.81 2a55 n HIS 130 Ca 0.00 -0.02 -0.20 0.00 -0.26 0.00 0.00 57.72 57.25 2a55 n HIS 130 Cb 0.04 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.21 2a55 n HIS 130 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2a55 s HIS 131 N 0.78 1.69 -1.19 4.41 -3.43 -1.26 -5.22 115.29 111.07 2a55 s HIS 131 Ca 0.00 -0.61 0.09 0.00 -0.80 0.00 0.00 55.06 53.75 2a55 s HIS 131 Cb -0.00 -2.33 0.08 0.00 -1.43 0.00 0.00 32.58 28.90 2a55 s HIS 131 CO 0.00 -1.08 0.80 1.58 -2.00 0.00 0.00 174.74 174.04