#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 n ASN 1 N 0.00 -0.36 -0.20 6.12 4.05 -1.26 -4.66 115.26 118.95 2a55 n ASN 1 Ca 0.00 0.25 0.13 0.00 0.45 0.00 0.00 54.58 55.41 2a55 n ASN 1 Cb 0.00 -1.40 0.31 0.00 1.23 0.00 0.00 39.78 39.92 2a55 n ASN 1 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2a55 n GLY 3 N 1.39 2.05 3.58 0.00 0.00 -1.26 -3.91 105.19 107.03 2a55 n GLY 3 Ca 0.10 -1.80 -0.53 0.00 0.00 0.00 0.00 46.02 43.78 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 1.88 0.96 -1.34 1.61 -0.02 -1.18 -4.71 135.00 132.19 2a55 n PRO 4 Ca 0.00 0.35 -0.55 0.00 -2.02 0.00 0.00 63.50 61.28 2a55 n PRO 4 Cb 0.00 -1.97 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 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 2.41 0.38 -0.34 0.52 -0.02 -1.26 -4.92 135.00 131.76 2a55 n PRO 5 Ca 0.19 0.09 -0.16 0.00 -2.02 0.00 0.00 63.50 61.60 2a55 n PRO 5 Cb 0.17 -1.86 0.15 0.00 -0.02 0.00 0.00 33.50 31.93 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 7.86 -2.84 -3.84 0.52 -0.04 -1.26 -5.02 135.00 130.38 2a55 n PRO 6 Ca 0.51 -0.86 -0.35 0.00 -0.04 0.00 0.00 63.50 62.76 2a55 n PRO 6 Cb 0.07 -0.94 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 2a55 n PRO 6 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2a55 s THR 7 N -1.82 5.31 -0.27 0.52 -1.32 -1.26 -5.07 115.64 111.72 2a55 s THR 7 Ca 0.37 0.15 -0.01 0.00 -1.21 0.00 0.00 61.69 60.98 2a55 s THR 7 Cb -0.05 -3.38 0.04 0.00 -1.51 0.00 0.00 72.50 67.60 2a55 s THR 7 CO 0.29 0.50 -0.05 -0.76 -2.21 0.00 0.00 174.62 172.40 2a55 s LEU 8 N -0.07 3.46 0.30 9.08 1.02 -1.26 -4.98 118.68 126.22 2a55 s LEU 8 Ca 0.09 -1.07 -0.01 0.00 0.02 0.00 0.00 54.13 53.16 2a55 s LEU 8 Cb -0.11 -1.67 0.44 0.00 0.02 0.00 0.00 46.19 44.87 2a55 s LEU 8 CO 0.00 -0.18 1.91 -1.28 0.02 0.00 0.00 176.35 176.82 2a55 h SER 9 N 7.98 0.86 0.37 2.29 0.87 -2.01 -1.01 113.55 122.90 2a55 h SER 9 Ca -0.27 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2a55 h SER 9 Cb 1.08 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2a55 h SER 9 CO 0.55 0.70 0.00 0.49 -0.53 0.00 0.00 176.83 178.04 2a55 n PHE 10 N -4.36 0.00 -2.98 2.24 3.72 -1.26 -4.82 117.46 110.01 2a55 n PHE 10 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2a55 n PHE 10 Cb 0.11 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.22 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a55 n ALA 11 N -1.44 0.00 -3.64 4.37 0.00 -0.38 -4.53 120.51 114.90 2a55 n ALA 11 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 2a55 n ALA 11 Cb 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.63 -1.93 0.38 0.00 0.00 0.56 -4.65 121.76 114.48 2a55 s ALA 12 Ca 0.00 1.99 -0.24 0.00 0.00 0.00 0.00 51.96 53.71 2a55 s ALA 12 Cb 0.00 -1.38 -0.13 0.00 0.00 0.00 0.00 23.12 21.61 2a55 s ALA 12 CO 0.00 -0.29 0.69 -2.30 0.00 0.00 0.00 175.76 173.87 2a55 n PRO 13 N 2.62 0.76 0.00 0.00 -0.02 -1.26 -0.02 135.00 137.08 2a55 n PRO 13 Ca -0.14 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2a55 n PRO 13 Cb 0.56 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 0.59 0.79 -3.06 -0.52 1.56 -1.26 -4.60 117.12 110.62 2a55 n MET 14 Ca 0.11 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.56 2a55 n MET 14 Cb 0.37 -0.07 -0.00 0.00 2.15 0.00 0.00 33.22 35.67 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 -0.31 6.12 2.15 -1.26 -4.86 116.67 117.44 2a55 s ASP 15 Ca 0.00 -0.41 -0.11 0.00 0.43 0.00 0.00 52.55 52.45 2a55 s ASP 15 Cb 0.00 1.43 0.19 0.00 -0.30 0.00 0.00 42.92 44.23 2a55 s ASP 15 CO 0.00 -0.13 1.07 -0.51 -0.17 0.00 0.00 175.17 175.43 2a55 s ILE 16 N 2.08 -0.19 -0.22 4.11 2.07 -1.26 -3.64 121.20 124.15 2a55 s ILE 16 Ca 0.16 0.00 -0.33 0.00 -1.41 0.00 0.00 60.65 59.07 2a55 s ILE 16 Cb -0.02 -0.12 -0.10 0.00 0.13 0.00 0.00 42.46 42.35 2a55 s ILE 16 CO -0.13 0.00 2.08 0.35 -1.91 0.00 0.00 174.94 175.34 2a55 n THR 17 N 4.53 0.37 0.78 4.00 -2.24 -1.26 -4.77 114.28 115.70 2a55 n THR 17 Ca 0.08 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2a55 n THR 17 Cb 0.60 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 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 9.14 1.91 0.12 3.22 7.99 -1.26 -3.64 117.00 134.49 2a55 n LEU 18 Ca 0.32 -0.96 0.13 0.00 -0.01 0.00 0.00 56.01 55.49 2a55 n LEU 18 Cb 0.31 -0.39 0.42 0.00 -0.11 0.00 0.00 43.42 43.64 2a55 n LEU 18 CO 0.73 0.34 0.88 0.71 -1.51 0.00 0.00 177.39 178.53 2a55 h THR 19 N 0.16 0.00 -4.18 -5.08 1.35 -2.01 -3.44 112.91 99.71 2a55 h THR 19 Ca 0.00 -0.45 -0.56 0.00 -0.55 0.00 0.00 66.41 64.85 2a55 h THR 19 Cb 0.67 1.39 -0.26 0.00 -1.73 0.00 0.00 68.15 68.22 2a55 h THR 19 CO 0.00 0.00 -0.83 -1.61 -0.25 0.00 0.00 175.52 172.83 2a55 s GLU 20 N -3.17 1.33 0.00 4.72 2.02 -1.24 -5.02 118.70 117.34 2a55 s GLU 20 Ca 0.09 -0.87 0.23 0.00 0.02 0.00 0.00 54.97 54.44 2a55 s GLU 20 Cb 0.11 -1.40 0.09 0.00 0.10 0.00 0.00 34.13 33.03 2a55 s GLU 20 CO 0.55 0.36 1.13 2.41 0.02 0.00 0.00 175.26 179.73 2a55 n THR 21 N 1.97 0.00 -4.30 3.63 -1.04 -1.26 -4.93 114.28 108.35 2a55 n THR 21 Ca -0.17 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.05 61.57 2a55 n THR 21 Cb 0.54 0.78 -0.12 0.00 -1.82 0.00 0.00 70.33 69.71 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2a55 s ARG 22 N -2.88 1.19 -0.19 -2.82 0.52 -1.26 -3.11 118.95 110.41 2a55 s ARG 22 Ca 0.12 -1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 53.99 2a55 s ARG 22 Cb 0.17 -1.29 0.09 0.00 0.52 0.00 0.00 34.95 34.44 2a55 s ARG 22 CO 0.75 0.27 0.23 -0.06 0.02 0.00 0.00 175.30 176.51 2a55 s PHE 23 N -1.77 -0.32 1.04 -0.53 0.40 -1.26 -5.07 117.98 110.47 2a55 s PHE 23 Ca 0.12 0.37 -0.22 0.00 -0.60 0.00 0.00 56.93 56.60 2a55 s PHE 23 Cb -0.07 -0.29 -0.07 0.00 0.51 0.00 0.00 43.02 43.10 2a55 s PHE 23 CO 0.05 -0.56 -0.73 0.36 0.70 0.00 0.00 175.22 175.04 2a55 n LYS 24 N 5.33 -0.58 0.00 0.44 2.85 -1.26 -4.35 118.16 120.59 2a55 n LYS 24 Ca -0.05 -0.16 0.05 0.00 -1.05 0.00 0.00 58.31 57.10 2a55 n LYS 24 Cb 0.50 -1.32 0.29 0.00 -0.65 0.00 0.00 35.03 33.84 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2a55 n THR 25 N -3.69 0.53 0.85 0.58 -2.24 -1.26 -1.40 114.28 107.64 2a55 n THR 25 Ca -0.00 0.13 0.10 0.00 -2.27 0.00 0.00 64.05 62.01 2a55 n THR 25 Cb 0.66 -0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 67.82 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 -0.35 -0.94 3.68 3.38 0.00 -1.26 -4.01 105.19 105.69 2a55 n GLY 26 Ca 0.06 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 2a55 n GLY 26 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a55 s THR 27 N -3.00 2.14 -0.28 2.61 -1.32 -0.49 -4.90 115.64 110.39 2a55 s THR 27 Ca 0.06 0.05 -0.10 0.00 -1.21 0.00 0.00 61.69 60.49 2a55 s THR 27 Cb 0.15 -2.17 0.12 0.00 -1.51 0.00 0.00 72.50 69.10 2a55 s THR 27 CO 0.85 -0.06 0.62 -0.89 -2.21 0.00 0.00 174.62 172.93 2a55 s THR 28 N -2.58 -0.91 0.59 5.08 2.01 -1.23 -3.56 115.64 115.04 2a55 s THR 28 Ca 0.67 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.69 2a55 s THR 28 Cb -0.23 -0.95 0.04 0.00 0.01 0.00 0.00 72.50 71.36 2a55 s THR 28 CO 0.56 0.01 0.84 -0.76 -0.69 0.00 0.00 174.62 174.59 2a55 s LEU 29 N 2.80 3.15 0.00 4.42 1.43 -0.16 -4.81 118.68 125.52 2a55 s LEU 29 Ca -0.06 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2a55 s LEU 29 Cb -0.12 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.14 2a55 s LEU 29 CO -0.18 -1.26 0.00 1.17 0.23 0.00 0.00 176.35 176.31 2a55 n LYS 30 N -2.50 0.00 -1.46 1.70 0.00 -1.24 -3.15 118.16 111.51 2a55 n LYS 30 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 58.31 58.46 2a55 n LYS 30 Cb 0.60 -0.47 0.00 0.00 0.00 0.00 0.00 35.03 35.16 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2a55 n TYR 31 N -2.13 -3.95 -4.27 5.64 4.02 -1.26 -4.00 117.16 111.21 2a55 n TYR 31 Ca 0.00 2.09 -0.26 0.00 -0.01 0.00 0.00 57.90 59.71 2a55 n TYR 31 Cb 0.00 -3.27 -0.07 0.00 -0.02 0.00 0.00 39.34 35.97 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 -2.82 2.07 -0.17 -0.72 -1.32 0.97 -4.86 115.64 108.78 2a55 s THR 32 Ca 0.00 -1.77 0.00 0.00 -1.21 0.00 0.00 61.69 58.72 2a55 s THR 32 Cb 0.00 -2.83 0.01 0.00 -1.51 0.00 0.00 72.50 68.17 2a55 s THR 32 CO 0.00 0.00 -0.17 0.00 -2.21 0.00 0.00 174.62 172.24 2a55 n LEU 34 N 4.44 -3.15 -4.51 0.00 4.77 -1.26 -4.66 117.00 112.63 2a55 n LEU 34 Ca -0.20 0.36 -0.43 0.00 -0.03 0.00 0.00 56.01 55.71 2a55 n LEU 34 Cb 0.51 -0.96 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 2a55 n LEU 34 CO 0.27 -4.80 1.96 -0.81 -1.33 0.00 0.00 177.39 172.69 2a55 n PRO 35 N 0.81 1.02 0.00 3.23 -0.04 -1.26 -1.19 135.00 137.57 2a55 n PRO 35 Ca 0.04 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2a55 n PRO 35 Cb 0.53 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 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 6.24 2.84 3.55 0.55 0.00 -1.26 -5.02 105.19 112.08 2a55 n GLY 36 Ca 0.42 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 1.05 0.00 1.61 4.01 -0.33 -4.04 117.16 119.45 2a55 n TYR 37 Ca 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2a55 n TYR 37 Cb 0.00 -2.34 0.00 0.00 -0.31 0.00 0.00 39.34 36.69 2a55 n TYR 37 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 2a55 n VAL 38 N 8.15 0.00 -3.68 -0.72 0.24 -1.26 -4.71 118.33 116.35 2a55 n VAL 38 Ca 0.48 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.69 2a55 n VAL 38 Cb 0.40 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.67 2a55 n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a55 s ARG 39 N 0.00 0.45 -0.01 7.34 1.70 -1.26 -3.29 118.95 123.88 2a55 s ARG 39 Ca 0.00 0.91 0.09 0.00 -0.47 0.00 0.00 55.73 56.26 2a55 s ARG 39 Cb 0.00 0.06 -0.14 0.00 -0.57 0.00 0.00 34.95 34.30 2a55 s ARG 39 CO 0.00 -0.17 0.19 0.45 -1.08 0.00 0.00 175.30 174.69 2a55 n SER 40 N 4.40 2.99 0.00 -2.89 2.88 -1.26 -4.64 113.62 115.09 2a55 n SER 40 Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 2a55 n SER 40 Cb 0.55 1.39 0.00 0.00 -0.75 0.00 0.00 64.21 65.40 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 -1.82 0.00 -0.02 0.66 8.25 -1.26 -5.01 115.22 116.02 2a55 n HIS 41 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2a55 n HIS 41 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 2a55 n HIS 41 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2a55 n SER 42 N -1.42 0.00 -3.86 0.41 2.88 -1.26 -4.97 113.62 105.40 2a55 n SER 42 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2a55 n SER 42 Cb 0.15 -0.75 0.25 0.00 -0.75 0.00 0.00 64.21 63.11 2a55 n SER 42 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2a55 s THR 43 N -2.02 1.56 0.00 2.46 2.01 -1.26 -5.01 115.64 113.38 2a55 s THR 43 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2a55 s THR 43 Cb 0.00 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.20 2a55 s THR 43 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 2a55 n GLN 44 N -5.01 0.00 -3.73 4.92 0.00 -1.26 -4.70 117.38 107.59 2a55 n GLN 44 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 56.98 2a55 n GLN 44 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.73 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2a55 s THR 45 N 0.00 -0.00 -0.34 -0.39 -4.23 -1.26 -4.42 115.64 105.01 2a55 s THR 45 Ca 0.00 0.01 -0.04 0.00 -1.18 0.00 0.00 61.69 60.48 2a55 s THR 45 Cb 0.00 -0.56 0.05 0.00 1.34 0.00 0.00 72.50 73.33 2a55 s THR 45 CO 0.00 0.01 0.08 -0.76 -0.54 0.00 0.00 174.62 173.41 2a55 s LEU 46 N 0.39 4.30 0.07 4.79 1.43 -1.19 -4.80 118.68 123.67 2a55 s LEU 46 Ca -0.01 -1.31 0.06 0.00 -1.03 0.00 0.00 54.13 51.83 2a55 s LEU 46 Cb -0.04 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2a55 s LEU 46 CO -0.01 -0.34 -0.09 -0.89 0.23 0.00 0.00 176.35 175.25 2a55 s THR 47 N 1.32 3.47 -0.25 5.49 2.01 -1.26 -0.98 115.64 125.43 2a55 s THR 47 Ca -0.02 -1.09 -0.26 0.00 0.31 0.00 0.00 61.69 60.64 2a55 s THR 47 Cb -0.20 -2.58 -0.00 0.00 0.01 0.00 0.00 72.50 69.73 2a55 s THR 47 CO 0.00 0.22 0.88 0.00 -0.69 0.00 0.00 174.62 175.03 2a55 s ASN 49 N 1.34 5.15 -1.34 0.00 2.20 -1.24 -4.24 114.94 116.81 2a55 s ASN 49 Ca 0.37 -0.75 -0.07 0.00 -0.94 0.00 0.00 52.86 51.47 2a55 s ASN 49 Cb -0.15 0.12 0.12 0.00 -2.00 0.00 0.00 41.25 39.33 2a55 s ASN 49 CO 0.08 -1.28 2.26 -0.24 -2.94 0.00 0.00 177.10 174.98 2a55 n SER 50 N -2.22 7.00 0.00 3.54 2.88 -1.26 -3.59 113.62 119.97 2a55 n SER 50 Ca 0.14 -3.07 0.00 0.00 -1.33 0.00 0.00 58.87 54.61 2a55 n SER 50 Cb 0.61 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2a55 n SER 50 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2a55 n ASP 51 N 2.72 0.00 -0.91 -3.46 9.92 -1.26 -4.99 116.55 118.57 2a55 n ASP 51 Ca 0.56 -1.00 -0.12 0.00 -0.53 0.00 0.00 54.79 53.70 2a55 n ASP 51 Cb 0.29 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.72 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a55 n GLY 52 N 0.00 1.22 3.22 0.44 0.00 -1.24 -4.96 105.19 103.88 2a55 n GLY 52 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.89 1.02 -0.37 1.61 -1.05 -1.25 -4.32 118.70 111.45 2a55 s GLU 53 Ca 0.00 -1.46 -0.22 0.00 -0.15 0.00 0.00 54.97 53.14 2a55 s GLU 53 Cb 0.00 -0.29 0.01 0.00 -0.44 0.00 0.00 34.13 33.41 2a55 s GLU 53 CO 0.00 -0.07 0.70 -1.58 0.95 0.00 0.00 175.26 175.26 2a55 s TRP 54 N -3.61 3.13 0.06 4.83 0.52 -1.26 -3.62 118.94 118.99 2a55 s TRP 54 Ca 0.19 0.40 -0.06 0.00 0.02 0.00 0.00 56.10 56.65 2a55 s TRP 54 Cb 0.05 -3.27 -0.05 0.00 -1.15 0.00 0.00 33.47 29.06 2a55 s TRP 54 CO 0.01 -0.69 0.32 0.08 0.02 0.00 0.00 176.95 176.68 2a55 s VAL 55 N 2.88 5.23 0.00 4.03 1.01 -1.23 -5.02 120.40 127.30 2a55 s VAL 55 Ca 0.27 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2a55 s VAL 55 Cb -0.14 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2a55 s VAL 55 CO 0.16 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.51 2a55 n TYR 56 N 0.74 0.00 -2.30 5.22 4.11 -1.26 -4.03 117.16 119.64 2a55 n TYR 56 Ca -0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.56 2a55 n TYR 56 Cb 0.52 0.00 0.12 0.00 -0.00 0.00 0.00 39.34 39.98 2a55 n TYR 56 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 2a55 s ASN 57 N 0.00 4.11 -0.59 9.48 3.84 -1.26 -4.98 114.94 125.54 2a55 s ASN 57 Ca 0.00 0.03 -0.02 0.00 0.21 0.00 0.00 52.86 53.08 2a55 s ASN 57 Cb 0.00 -0.39 0.30 0.00 -0.55 0.00 0.00 41.25 40.61 2a55 s ASN 57 CO 0.00 -2.04 2.18 0.41 -2.79 0.00 0.00 177.10 174.85 2a55 n THR 58 N -3.12 3.37 -1.65 -5.21 -1.04 -1.26 -4.99 114.28 100.38 2a55 n THR 58 Ca 0.13 -2.98 -0.45 0.00 -2.04 0.00 0.00 64.05 58.71 2a55 n THR 58 Cb 0.60 -1.30 -0.02 0.00 -1.82 0.00 0.00 70.33 67.78 2a55 n THR 58 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2a55 n PHE 59 N -0.19 1.90 -2.37 -1.42 1.16 -1.26 -4.23 117.46 111.05 2a55 n PHE 59 Ca 0.51 0.54 -0.03 0.00 -1.87 0.00 0.00 57.45 56.60 2a55 n PHE 59 Cb 0.52 -2.39 -0.02 0.00 -1.61 0.00 0.00 39.48 35.98 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 1.61 0.00 -1.71 0.00 -5.35 -1.26 -4.79 119.36 107.86 2a55 n ILE 61 Ca -0.21 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 2a55 n ILE 61 Cb 0.32 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 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 -0.27 -4.03 -2.72 4.28 4.19 -1.26 -4.91 117.16 112.43 2a55 n TYR 62 Ca 0.03 2.35 -0.05 0.00 3.31 0.00 0.00 57.90 63.54 2a55 n TYR 62 Cb 0.13 -3.36 0.04 0.00 0.49 0.00 0.00 39.34 36.64 2a55 n TYR 62 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 2a55 n LYS 63 N 1.25 0.41 -2.15 2.98 2.85 -1.26 -4.89 118.16 117.36 2a55 n LYS 63 Ca 0.00 -1.41 -0.28 0.00 -1.05 0.00 0.00 58.31 55.57 2a55 n LYS 63 Cb 0.00 -0.85 0.17 0.00 -0.65 0.00 0.00 35.03 33.70 2a55 n LYS 63 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2a55 s ARG 64 N 0.72 0.81 -0.13 -1.58 1.70 -1.26 -4.46 118.95 114.74 2a55 s ARG 64 Ca 0.28 -0.71 -0.03 0.00 -0.47 0.00 0.00 55.73 54.80 2a55 s ARG 64 Cb 0.13 -1.99 -0.03 0.00 -0.57 0.00 0.00 34.95 32.49 2a55 s ARG 64 CO -0.12 -2.21 -0.02 0.00 -1.08 0.00 0.00 175.30 171.87 2a55 n ARG 66 N 3.10 1.33 -1.67 0.00 3.00 -1.26 -4.69 116.66 116.47 2a55 n ARG 66 Ca -0.18 0.47 -0.63 0.00 -0.00 0.00 0.00 57.85 57.51 2a55 n ARG 66 Cb 0.53 -1.89 -0.09 0.00 0.00 0.00 0.00 32.46 31.01 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 0.67 1.78 -0.28 -0.14 -0.00 -1.26 -4.76 115.22 111.23 2a55 n HIS 67 Ca 0.11 0.87 0.19 0.00 -0.00 0.00 0.00 57.72 58.89 2a55 n HIS 67 Cb 0.30 -2.32 0.35 0.00 -0.00 0.00 0.00 29.99 28.32 2a55 n HIS 67 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2a55 n PRO 68 N 5.02 -0.06 0.00 1.57 -0.02 -1.26 -4.89 135.00 135.36 2a55 n PRO 68 Ca 0.33 1.20 0.00 0.00 -2.02 0.00 0.00 63.50 63.01 2a55 n PRO 68 Cb 0.02 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2a55 n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a55 n GLY 69 N -1.33 0.12 2.53 -1.23 0.00 -1.26 -4.64 105.19 99.38 2a55 n GLY 69 Ca 0.25 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 2a55 n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2a55 n GLU 70 N 1.15 0.00 -3.56 1.61 2.13 -1.26 -4.76 120.64 115.95 2a55 n GLU 70 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 2a55 n GLU 70 Cb 0.00 -0.83 -0.09 0.00 0.27 0.00 0.00 31.44 30.79 2a55 n GLU 70 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2a55 s LEU 71 N 1.64 5.45 0.12 4.31 2.96 -1.26 -4.93 118.68 126.98 2a55 s LEU 71 Ca 0.52 -1.69 -0.31 0.00 -0.22 0.00 0.00 54.13 52.43 2a55 s LEU 71 Cb -0.75 -2.01 -0.10 0.00 0.50 0.00 0.00 46.19 43.82 2a55 s LEU 71 CO 0.42 -0.62 1.84 -0.60 -1.32 0.00 0.00 176.35 176.06 2a55 s ARG 72 N 1.41 4.13 0.00 1.98 3.52 -1.26 0.39 118.95 129.13 2a55 s ARG 72 Ca 0.04 2.61 0.00 0.00 -0.13 0.00 0.00 55.73 58.25 2a55 s ARG 72 Cb -0.25 -3.60 0.00 0.00 -1.56 0.00 0.00 34.95 29.54 2a55 s ARG 72 CO 0.01 -0.85 0.00 0.09 -0.81 0.00 0.00 175.30 173.74 2a55 n ASN 73 N 5.70 0.00 -2.54 -2.12 3.02 -1.26 -4.60 115.26 113.46 2a55 n ASN 73 Ca 0.18 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.62 2a55 n ASN 73 Cb 0.38 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 2a55 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a55 n GLY 74 N -2.00 3.81 2.96 7.41 0.00 0.16 -0.62 105.19 116.92 2a55 n GLY 74 Ca 0.00 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.62 0.41 -0.38 1.61 -0.21 -1.01 -4.49 119.66 112.97 2a55 s GLN 75 Ca 0.06 -0.23 -0.10 0.00 0.02 0.00 0.00 55.36 55.12 2a55 s GLN 75 Cb 0.00 -0.38 0.04 0.00 1.00 0.00 0.00 33.01 33.68 2a55 s GLN 75 CO 0.04 0.10 0.19 0.08 -2.12 0.00 0.00 175.29 173.59 2a55 s VAL 76 N -0.23 4.31 -0.97 1.09 1.01 -1.26 -3.19 120.40 121.16 2a55 s VAL 76 Ca 0.01 -1.04 -0.24 0.00 0.00 0.00 0.00 61.98 60.71 2a55 s VAL 76 Cb -0.03 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2a55 s VAL 76 CO -0.00 -0.28 1.85 -0.70 0.00 0.00 0.00 175.10 175.97 2a55 s GLU 77 N 1.49 2.77 -0.28 2.72 2.12 -0.86 -4.93 118.70 121.72 2a55 s GLU 77 Ca 0.01 -0.58 -0.10 0.00 0.36 0.00 0.00 54.97 54.66 2a55 s GLU 77 Cb -0.20 -5.15 -0.04 0.00 0.26 0.00 0.00 34.13 29.00 2a55 s GLU 77 CO 0.05 -3.21 0.17 0.42 -0.54 0.00 0.00 175.26 172.15 2a55 s ILE 78 N 9.13 5.04 0.00 -3.70 -1.09 -1.26 -4.42 121.20 124.90 2a55 s ILE 78 Ca 0.65 -0.00 0.05 0.00 -2.23 0.00 0.00 60.65 59.11 2a55 s ILE 78 Cb -0.05 -3.44 0.08 0.00 -1.58 0.00 0.00 42.46 37.47 2a55 s ILE 78 CO -0.01 0.22 0.88 2.29 -1.23 0.00 0.00 174.94 177.09 2a55 n LYS 79 N 5.03 0.00 -0.07 2.79 0.00 -1.26 -4.86 118.16 119.79 2a55 n LYS 79 Ca -0.14 -0.87 0.00 0.00 -0.00 0.00 0.00 58.31 57.30 2a55 n LYS 79 Cb 0.51 -0.11 0.00 0.00 -0.00 0.00 0.00 35.03 35.43 2a55 n LYS 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 80 N 0.09 0.00 -0.84 0.58 -2.24 -1.26 -4.97 114.28 105.64 2a55 n THR 80 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2a55 n THR 80 Cb 0.72 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 2a55 n THR 80 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2a55 n ASP 81 N 0.00 -4.52 -2.92 3.42 9.92 -1.26 -1.68 116.55 119.51 2a55 n ASP 81 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 2a55 n ASP 81 Cb 0.52 -3.11 0.07 0.00 -0.64 0.00 0.00 41.12 37.95 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 0.00 -4.16 -1.53 0.64 4.77 -1.26 -4.81 117.00 110.65 2a55 n LEU 82 Ca 0.00 -0.52 -0.08 0.00 -0.03 0.00 0.00 56.01 55.38 2a55 n LEU 82 Cb 0.38 -2.63 0.03 0.00 -2.33 0.00 0.00 43.42 38.87 2a55 n LEU 82 CO 0.00 0.21 0.92 -1.54 -1.33 0.00 0.00 177.39 175.65 2a55 n SER 83 N -2.77 4.63 -1.74 -1.43 3.41 -0.68 -2.98 113.62 112.07 2a55 n SER 83 Ca -0.16 -2.60 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 2a55 n SER 83 Cb 0.62 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 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 0.49 -4.47 -0.65 7.33 7.35 -1.26 -4.80 117.46 121.45 2a55 n PHE 84 Ca 0.16 2.37 0.00 0.00 -0.76 0.00 0.00 57.45 59.22 2a55 n PHE 84 Cb 0.67 -3.50 0.00 0.00 0.35 0.00 0.00 39.48 37.00 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 -0.56 0.62 3.47 7.13 0.00 -1.14 -4.99 105.19 109.71 2a55 n GLY 85 Ca 0.00 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.49 3.54 -0.07 1.61 1.04 -1.26 -4.90 113.70 111.17 2a55 s SER 86 Ca 0.00 -1.04 0.05 0.00 0.48 0.00 0.00 55.95 55.44 2a55 s SER 86 Cb 0.00 -0.29 -0.01 0.00 0.10 0.00 0.00 66.02 65.82 2a55 s SER 86 CO 0.00 0.02 -0.23 -1.58 0.98 0.00 0.00 173.24 172.42 2a55 s GLN 87 N -3.52 2.51 -0.11 4.02 -0.44 -1.25 -1.80 119.66 119.07 2a55 s GLN 87 Ca 0.30 -0.84 0.03 0.00 -2.50 0.00 0.00 55.36 52.35 2a55 s GLN 87 Cb -0.04 -2.07 0.01 0.00 -1.64 0.00 0.00 33.01 29.26 2a55 s GLN 87 CO 0.15 0.30 -0.21 0.96 0.50 0.00 0.00 175.29 176.99 2a55 s ILE 88 N 0.01 1.91 0.47 -2.34 -4.36 0.04 -4.89 121.20 112.05 2a55 s ILE 88 Ca -0.07 -0.92 -0.01 0.00 -0.26 0.00 0.00 60.65 59.39 2a55 s ILE 88 Cb -0.14 -1.68 -0.00 0.00 1.25 0.00 0.00 42.46 41.88 2a55 s ILE 88 CO 0.05 0.53 0.71 -0.70 0.24 0.00 0.00 174.94 175.76 2a55 s GLU 89 N 0.59 3.05 0.46 0.37 2.12 -1.26 -1.92 118.70 122.12 2a55 s GLU 89 Ca -0.13 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 54.81 2a55 s GLU 89 Cb -0.17 -2.51 -0.00 0.00 0.26 0.00 0.00 34.13 31.71 2a55 s GLU 89 CO 0.04 -0.34 0.02 1.19 -0.54 0.00 0.00 175.26 175.63 2a55 n PHE 90 N -2.17 0.96 -3.35 5.30 3.72 -1.04 -2.04 117.46 118.85 2a55 n PHE 90 Ca 0.02 -2.35 0.02 0.00 -0.05 0.00 0.00 57.45 55.08 2a55 n PHE 90 Cb 0.58 -0.27 -0.02 0.00 -0.94 0.00 0.00 39.48 38.82 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2a55 s SER 91 N -3.57 -1.28 -0.31 4.37 1.04 -1.19 -4.90 113.70 107.86 2a55 s SER 91 Ca 0.03 1.16 -0.23 0.00 0.48 0.00 0.00 55.95 57.39 2a55 s SER 91 Cb 0.00 2.22 -0.00 0.00 0.10 0.00 0.00 66.02 68.34 2a55 s SER 91 CO 0.02 -0.24 0.75 0.00 0.98 0.00 0.00 173.24 174.75 2a55 n SER 93 N 6.14 -3.16 -4.30 0.00 3.41 0.21 -4.66 113.62 111.26 2a55 n SER 93 Ca 0.03 0.07 -0.37 0.00 -0.26 0.00 0.00 58.87 58.34 2a55 n SER 93 Cb 0.48 -0.87 0.05 0.00 -0.26 0.00 0.00 64.21 63.62 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 -0.00 0.12 0.00 4.33 2.13 -1.26 -2.08 120.64 123.87 2a55 n GLU 94 Ca 0.01 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2a55 n GLU 94 Cb 0.62 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.91 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 2.28 1.47 3.67 8.31 0.00 -1.26 -4.93 105.19 114.73 2a55 n GLY 95 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 2.77 0.36 1.61 0.08 -0.89 -1.03 117.98 120.88 2a55 s PHE 96 Ca 0.00 -0.19 0.09 0.00 0.12 0.00 0.00 56.93 56.95 2a55 s PHE 96 Cb 0.00 -1.25 -0.07 0.00 -0.57 0.00 0.00 43.02 41.13 2a55 s PHE 96 CO 0.00 0.59 -0.08 -0.59 -0.10 0.00 0.00 175.22 175.04 2a55 s PHE 97 N -2.20 2.43 0.15 0.36 -0.71 -1.09 -4.47 117.98 112.45 2a55 s PHE 97 Ca 0.31 -0.53 -0.27 0.00 -1.04 0.00 0.00 56.93 55.41 2a55 s PHE 97 Cb -0.07 -1.45 -0.07 0.00 -1.21 0.00 0.00 43.02 40.22 2a55 s PHE 97 CO 0.20 0.56 0.83 -1.17 -1.34 0.00 0.00 175.22 174.30 2a55 s LEU 98 N -3.63 4.57 -0.29 -1.99 1.98 -1.26 -4.00 118.68 114.06 2a55 s LEU 98 Ca 0.33 1.69 -0.05 0.00 -2.89 0.00 0.00 54.13 53.21 2a55 s LEU 98 Cb 0.04 -3.38 0.16 0.00 0.66 0.00 0.00 46.19 43.66 2a55 s LEU 98 CO 0.17 0.13 0.60 -0.63 -1.89 0.00 0.00 176.35 174.73 2a55 s ILE 99 N -0.80 -0.96 0.00 6.68 1.01 -1.17 -4.98 121.20 120.98 2a55 s ILE 99 Ca 0.39 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.04 2a55 s ILE 99 Cb -0.23 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.27 2a55 s ILE 99 CO 0.27 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.82 2a55 n GLY 100 N 5.43 0.38 2.30 6.18 0.00 -1.26 0.10 105.19 118.34 2a55 n GLY 100 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.16 0.00 1.61 2.88 -1.26 -4.40 113.62 111.28 2a55 n SER 101 Ca 0.00 0.99 0.04 0.00 -1.33 0.00 0.00 58.87 58.57 2a55 n SER 101 Cb 0.00 -4.13 0.20 0.00 -0.75 0.00 0.00 64.21 59.53 2a55 n SER 101 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2a55 n THR 102 N 1.19 1.13 -4.25 2.46 5.66 -1.26 -4.62 114.28 114.59 2a55 n THR 102 Ca -0.29 0.28 -0.25 0.00 -3.05 0.00 0.00 64.05 60.74 2a55 n THR 102 Cb 0.45 -1.14 -0.08 0.00 -1.55 0.00 0.00 70.33 68.02 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2a55 s THR 103 N -2.80 3.55 -0.22 1.09 -4.23 -1.26 -2.50 115.64 109.28 2a55 s THR 103 Ca 0.06 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 58.88 2a55 s THR 103 Cb 0.06 -2.83 0.11 0.00 1.34 0.00 0.00 72.50 71.18 2a55 s THR 103 CO 0.15 -0.22 0.34 -0.44 -0.54 0.00 0.00 174.62 173.90 2a55 s SER 104 N -3.23 0.43 0.19 3.99 0.01 -0.81 -4.81 113.70 109.47 2a55 s SER 104 Ca 0.29 0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.85 2a55 s SER 104 Cb -0.08 0.94 -0.03 0.00 0.21 0.00 0.00 66.02 67.06 2a55 s SER 104 CO 0.19 -0.29 0.31 -0.13 0.41 0.00 0.00 173.24 173.73 2a55 s ARG 105 N 2.49 3.41 -0.32 12.44 0.52 -1.26 -0.78 118.95 135.45 2a55 s ARG 105 Ca 0.08 -0.69 -0.12 0.00 -0.52 0.00 0.00 55.73 54.49 2a55 s ARG 105 Cb -0.15 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.40 2a55 s ARG 105 CO -0.14 0.48 0.21 0.00 0.02 0.00 0.00 175.30 175.86 2a55 s GLU 107 N 1.69 2.12 -0.03 0.00 2.12 -0.90 -2.89 118.70 120.81 2a55 s GLU 107 Ca 0.06 -2.14 0.01 0.00 0.36 0.00 0.00 54.97 53.25 2a55 s GLU 107 Cb -0.17 -1.72 0.02 0.00 0.26 0.00 0.00 34.13 32.52 2a55 s GLU 107 CO 0.09 -0.22 -0.02 0.08 -0.54 0.00 0.00 175.26 174.66 2a55 s VAL 108 N -2.75 0.28 -0.32 3.70 1.01 -1.26 0.17 120.40 121.24 2a55 s VAL 108 Ca 0.27 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.27 2a55 s VAL 108 Cb 0.05 -0.34 0.09 0.00 0.00 0.00 0.00 36.38 36.18 2a55 s VAL 108 CO 0.14 0.15 0.01 -1.10 0.00 0.00 0.00 175.10 174.30 2a55 s GLN 109 N 0.78 1.66 3.75 2.72 -0.21 -1.18 -4.78 119.66 122.40 2a55 s GLN 109 Ca -0.08 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 53.60 2a55 s GLN 109 Cb -0.12 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 30.82 2a55 s GLN 109 CO -0.01 -0.84 0.00 -0.25 -2.12 0.00 0.00 175.29 172.08 2a55 n ASP 110 N 4.33 -0.44 -1.21 5.90 8.00 -1.26 -2.20 116.55 129.66 2a55 n ASP 110 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2a55 n ASP 110 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2a55 n ASP 110 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2a55 n ARG 111 N 0.00 0.88 -3.18 -1.24 1.74 -1.26 -4.33 116.66 109.27 2a55 n ARG 111 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 2a55 n ARG 111 Cb 0.00 -1.06 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2a55 s GLY 112 N 1.38 -0.59 0.37 -0.13 0.00 -0.93 -5.14 107.32 102.28 2a55 s GLY 112 Ca 0.00 -0.60 -0.23 0.00 0.00 0.00 0.00 44.72 43.89 2a55 s GLY 112 CO 0.00 3.19 0.28 1.55 0.00 0.00 0.00 173.10 178.12 2a55 n VAL 113 N 3.88 1.15 -4.44 1.40 3.14 -1.26 -3.12 118.33 119.07 2a55 n VAL 113 Ca 0.14 -0.50 -0.28 0.00 -2.96 0.00 0.00 64.34 60.75 2a55 n VAL 113 Cb 0.52 -0.14 -0.13 0.00 -1.06 0.00 0.00 33.84 33.03 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 -0.98 1.45 -0.28 7.55 0.00 0.13 -4.69 107.32 110.50 2a55 s GLY 114 Ca 0.61 -1.37 -0.20 0.00 0.00 0.00 0.00 44.72 43.76 2a55 s GLY 114 CO 0.61 -1.34 0.61 0.86 0.00 0.00 0.00 173.10 173.84 2a55 s TRP 115 N -1.04 3.25 0.03 1.90 -0.00 -1.26 -2.11 118.94 119.71 2a55 s TRP 115 Ca 0.12 0.69 -0.15 0.00 -0.00 0.00 0.00 56.10 56.76 2a55 s TRP 115 Cb -0.10 -2.89 -0.08 0.00 -0.00 0.00 0.00 33.47 30.41 2a55 s TRP 115 CO 0.05 -0.38 1.23 0.77 -0.00 0.00 0.00 176.95 178.62 2a55 h SER 116 N 8.03 -0.53 -3.71 5.86 0.02 -1.89 -3.45 113.55 117.88 2a55 h SER 116 Ca -0.27 0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.49 2a55 h SER 116 Cb 1.12 0.16 -0.28 0.00 0.14 0.00 0.00 62.40 63.54 2a55 h SER 116 CO 0.78 -0.31 -0.66 -1.00 -1.14 0.00 0.00 176.83 174.50 2a55 s HIS 117 N -4.20 -0.06 0.00 3.45 3.76 -1.26 -5.03 115.29 111.95 2a55 s HIS 117 Ca -0.08 0.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 2a55 s HIS 117 Cb 0.01 -0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.69 2a55 s HIS 117 CO 0.25 -0.04 0.00 -0.35 -0.85 0.00 0.00 174.74 173.75 2a55 n PRO 118 N 3.23 3.40 -1.68 8.40 -0.04 -1.26 -4.73 135.00 142.31 2a55 n PRO 118 Ca -0.14 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.87 2a55 n PRO 118 Cb 0.58 0.00 -0.04 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 3.75 0.00 1.53 7.99 -1.26 -4.99 117.00 124.01 2a55 n LEU 119 Ca 0.00 0.97 0.00 0.00 -0.01 0.00 0.00 56.01 56.97 2a55 n LEU 119 Cb 0.00 -1.46 0.00 0.00 -0.11 0.00 0.00 43.42 41.85 2a55 n LEU 119 CO 0.00 0.04 0.00 -2.65 -1.51 0.00 0.00 177.39 173.27 2a55 n PRO 120 N 6.20 2.00 -3.81 3.23 -0.02 -1.26 -5.04 135.00 136.30 2a55 n PRO 120 Ca 0.20 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.47 2a55 n PRO 120 Cb 0.34 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.65 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 0.39 -0.38 -0.52 0.74 0.29 -4.92 119.66 115.26 2a55 s GLN 121 Ca 0.00 0.15 -0.10 0.00 0.05 0.00 0.00 55.36 55.46 2a55 s GLN 121 Cb 0.00 -0.74 0.05 0.00 1.10 0.00 0.00 33.01 33.41 2a55 s GLN 121 CO 0.00 -0.26 0.20 0.00 -0.55 0.00 0.00 175.29 174.69 2a55 s GLU 123 N 1.49 0.71 0.51 0.00 -1.05 -1.26 -4.98 118.70 114.13 2a55 s GLU 123 Ca 0.01 -0.71 -0.22 0.00 -0.15 0.00 0.00 54.97 53.90 2a55 s GLU 123 Cb -0.20 -0.64 -0.06 0.00 -0.44 0.00 0.00 34.13 32.79 2a55 s GLU 123 CO 0.05 0.15 1.28 -1.50 0.95 0.00 0.00 175.26 176.18 2a55 s ILE 124 N -0.99 2.50 0.01 1.83 1.10 -1.26 -2.69 121.20 121.70 2a55 s ILE 124 Ca -0.03 0.37 -0.30 0.00 -0.51 0.00 0.00 60.65 60.18 2a55 s ILE 124 Cb -0.08 -3.19 -0.05 0.00 0.15 0.00 0.00 42.46 39.29 2a55 s ILE 124 CO 0.01 -0.01 1.31 -0.76 -2.11 0.00 0.00 174.94 173.38 2a55 s LEU 125 N -3.34 4.32 0.20 8.50 1.43 -0.20 -4.91 118.68 124.68 2a55 s LEU 125 Ca 0.69 2.05 -0.33 0.00 -1.03 0.00 0.00 54.13 55.51 2a55 s LEU 125 Cb -0.35 -3.57 -0.14 0.00 0.03 0.00 0.00 46.19 42.16 2a55 s LEU 125 CO 0.42 -0.63 1.48 1.21 0.23 0.00 0.00 176.35 179.06 2a55 n GLU 126 N 4.87 2.04 -1.40 1.70 4.07 -1.26 -4.86 120.64 125.79 2a55 n GLU 126 Ca 0.12 0.73 -0.06 0.00 -0.06 0.00 0.00 57.16 57.89 2a55 n GLU 126 Cb 0.45 -2.44 -0.02 0.00 -0.06 0.00 0.00 31.44 29.37 2a55 n GLU 126 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2a55 n HIS 127 N 2.61 -0.50 -3.30 4.31 -0.00 -1.26 -5.15 115.22 111.93 2a55 n HIS 127 Ca 0.14 -0.79 0.10 0.00 0.46 0.00 0.00 57.72 57.63 2a55 n HIS 127 Cb 0.30 0.76 -0.02 0.00 -0.12 0.00 0.00 29.99 30.90 2a55 n HIS 127 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2a55 n HIS 128 N -0.38 -2.81 -0.01 1.57 8.25 -1.26 -4.85 115.22 115.73 2a55 n HIS 128 Ca -0.25 0.88 -0.04 0.00 -0.26 0.00 0.00 57.72 58.04 2a55 n HIS 128 Cb 0.74 -1.47 -0.01 0.00 1.12 0.00 0.00 29.99 30.36 2a55 n HIS 128 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2a55 n HIS 129 N -3.10 0.00 -1.40 4.41 8.25 -1.26 -5.00 115.22 117.12 2a55 n HIS 129 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 2a55 n HIS 129 Cb 0.32 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 2a55 n HIS 129 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2a55 n HIS 130 N -3.31 -0.08 0.00 4.41 -0.00 -1.26 -4.65 115.22 110.34 2a55 n HIS 130 Ca -0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.11 2a55 n HIS 130 Cb 0.45 -2.92 0.00 0.00 -0.12 0.00 0.00 29.99 27.40 2a55 n HIS 130 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2a55 n HIS 131 N -2.14 -0.07 0.26 1.57 -0.00 -1.26 -5.34 115.22 108.24 2a55 n HIS 131 Ca -0.15 0.01 0.03 0.00 -0.00 0.00 0.00 57.72 57.62 2a55 n HIS 131 Cb 0.58 0.27 0.03 0.00 -0.00 0.00 0.00 29.99 30.86 2a55 n HIS 131 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92