#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 6.60 0.00 6.12 0.02 -1.26 -3.64 114.94 122.78 2a55 s ASN 1 Ca 0.00 0.98 0.23 0.00 -1.02 0.00 0.00 52.86 53.05 2a55 s ASN 1 Cb 0.00 -2.25 0.18 0.00 0.02 0.00 0.00 41.25 39.20 2a55 s ASN 1 CO 0.00 -0.17 1.20 0.00 0.02 0.00 0.00 177.10 178.15 2a55 n GLY 3 N 1.42 -1.03 3.37 0.00 0.00 -1.26 -4.61 105.19 103.08 2a55 n GLY 3 Ca 0.09 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.06 0.27 -2.16 1.61 -0.02 -1.02 -4.71 135.00 127.90 2a55 n PRO 4 Ca 0.00 0.10 -0.43 0.00 -2.02 0.00 0.00 63.50 61.15 2a55 n PRO 4 Cb 0.00 -1.29 -0.02 0.00 -0.02 0.00 0.00 33.50 32.17 2a55 n PRO 4 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2a55 s PRO 5 N -1.39 3.44 0.72 0.52 0.02 -1.26 -5.00 135.00 132.05 2a55 s PRO 5 Ca 0.62 1.20 -0.11 0.00 0.02 0.00 0.00 61.00 62.72 2a55 s PRO 5 Cb -0.56 -4.12 0.18 0.00 0.02 0.00 0.00 34.50 30.02 2a55 s PRO 5 CO 0.60 -1.73 0.40 -0.35 -0.33 0.00 0.00 177.00 175.59 2a55 n PRO 6 N 8.28 -2.66 -3.79 5.54 -0.04 -1.26 -4.99 135.00 136.08 2a55 n PRO 6 Ca 0.20 -0.67 -0.35 0.00 -0.04 0.00 0.00 63.50 62.64 2a55 n PRO 6 Cb 0.47 -0.96 -0.08 0.00 -0.04 0.00 0.00 33.50 32.89 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 -1.52 5.35 0.00 0.52 2.01 -1.26 -5.08 115.64 115.66 2a55 s THR 7 Ca 0.31 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.47 2a55 s THR 7 Cb -0.05 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2a55 s THR 7 CO 0.26 0.48 0.00 0.18 -0.69 0.00 0.00 174.62 174.85 2a55 n LEU 8 N 3.21 0.00 0.07 4.42 4.32 -1.26 -5.10 117.00 122.65 2a55 n LEU 8 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 2a55 n LEU 8 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 2a55 n LEU 8 CO 0.36 -0.07 -0.07 -1.54 -1.22 0.00 0.00 177.39 174.84 2a55 n SER 9 N -1.22 0.47 0.14 -1.43 3.41 -1.26 -4.75 113.62 108.98 2a55 n SER 9 Ca 0.00 0.22 0.09 0.00 -0.26 0.00 0.00 58.87 58.91 2a55 n SER 9 Cb 0.00 -0.03 0.48 0.00 -0.26 0.00 0.00 64.21 64.40 2a55 n SER 9 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2a55 n PHE 10 N -3.33 0.60 -3.70 7.33 3.72 -1.26 -4.66 117.46 116.16 2a55 n PHE 10 Ca 0.00 0.31 -0.11 0.00 -0.05 0.00 0.00 57.45 57.60 2a55 n PHE 10 Cb 0.07 -0.96 -0.06 0.00 -0.94 0.00 0.00 39.48 37.59 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a55 s ALA 11 N -3.44 -0.79 0.27 4.37 0.00 -1.26 -4.32 121.76 116.60 2a55 s ALA 11 Ca -0.02 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 51.90 2a55 s ALA 11 Cb 0.05 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 2a55 s ALA 11 CO 0.16 -0.54 0.08 0.00 0.00 0.00 0.00 175.76 175.46 2a55 s ALA 12 N -3.33 1.89 0.50 0.00 0.00 0.07 -4.36 121.76 116.53 2a55 s ALA 12 Ca 0.00 -1.91 -0.22 0.00 0.00 0.00 0.00 51.96 49.83 2a55 s ALA 12 Cb 0.01 0.92 -0.06 0.00 0.00 0.00 0.00 23.12 24.00 2a55 s ALA 12 CO -0.08 -0.41 1.24 -1.25 0.00 0.00 0.00 175.76 175.26 2a55 s PRO 13 N -3.99 3.46 0.00 0.00 0.04 -1.26 -0.70 135.00 132.54 2a55 s PRO 13 Ca 0.37 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2a55 s PRO 13 Cb 0.08 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2a55 s PRO 13 CO 0.14 -0.85 0.00 -0.12 0.04 0.00 0.00 177.00 176.21 2a55 n MET 14 N -0.79 1.38 -3.05 4.56 1.56 -1.26 -4.64 117.12 114.87 2a55 n MET 14 Ca 0.09 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.45 2a55 n MET 14 Cb 0.47 -0.15 -0.02 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 -0.25 -0.74 -0.31 6.12 -1.08 -1.26 -4.95 116.67 114.21 2a55 s ASP 15 Ca 0.00 -1.61 -0.06 0.00 -0.52 0.00 0.00 52.55 50.37 2a55 s ASP 15 Cb 0.00 1.44 0.19 0.00 -1.46 0.00 0.00 42.92 43.09 2a55 s ASP 15 CO 0.00 -0.13 0.92 -0.51 0.52 0.00 0.00 175.17 175.97 2a55 s ILE 16 N 1.13 -0.47 -0.23 4.11 1.10 -1.26 -3.72 121.20 121.87 2a55 s ILE 16 Ca 0.24 0.00 -0.35 0.00 -0.51 0.00 0.00 60.65 60.04 2a55 s ILE 16 Cb -0.03 -0.37 -0.11 0.00 0.15 0.00 0.00 42.46 42.10 2a55 s ILE 16 CO -0.07 0.00 2.02 0.35 -2.11 0.00 0.00 174.94 175.13 2a55 n THR 17 N 4.94 0.37 0.57 4.00 -2.24 -1.26 -4.77 114.28 115.89 2a55 n THR 17 Ca 0.08 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2a55 n THR 17 Cb 0.58 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 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 8.32 2.78 0.09 3.22 7.99 -1.26 -3.50 117.00 134.64 2a55 n LEU 18 Ca 0.31 -1.35 0.11 0.00 -0.01 0.00 0.00 56.01 55.07 2a55 n LEU 18 Cb 0.27 -0.50 -0.02 0.00 -0.11 0.00 0.00 43.42 43.06 2a55 n LEU 18 CO 0.74 0.48 -0.05 0.35 -1.51 0.00 0.00 177.39 177.41 2a55 n THR 19 N 0.79 0.62 -3.92 -5.08 -2.24 -1.26 -4.85 114.28 98.34 2a55 n THR 19 Ca 0.00 -0.55 -0.35 0.00 -2.27 0.00 0.00 64.05 60.88 2a55 n THR 19 Cb 0.40 -0.34 -0.09 0.00 -2.10 0.00 0.00 70.33 68.21 2a55 n THR 19 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2a55 s GLU 20 N -3.35 3.91 0.20 -0.78 2.02 -1.23 -4.98 118.70 114.49 2a55 s GLU 20 Ca -0.01 -0.28 0.17 0.00 0.02 0.00 0.00 54.97 54.87 2a55 s GLU 20 Cb 0.10 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 31.08 2a55 s GLU 20 CO 0.80 0.38 1.19 1.79 0.02 0.00 0.00 175.26 179.44 2a55 h THR 21 N 4.63 0.59 -2.23 3.63 1.35 -1.94 -3.47 112.91 115.48 2a55 h THR 21 Ca -0.42 -1.94 -0.57 0.00 -0.55 0.00 0.00 66.41 62.92 2a55 h THR 21 Cb 1.17 2.17 -0.14 0.00 -1.73 0.00 0.00 68.15 69.62 2a55 h THR 21 CO 0.70 0.34 -0.70 -0.13 -0.25 0.00 0.00 175.52 175.48 2a55 s ARG 22 N -3.00 1.69 -0.20 4.72 0.52 -1.26 -2.45 118.95 118.97 2a55 s ARG 22 Ca 0.01 -1.84 -0.04 0.00 -0.52 0.00 0.00 55.73 53.34 2a55 s ARG 22 Cb 0.08 -1.54 0.10 0.00 0.52 0.00 0.00 34.95 34.11 2a55 s ARG 22 CO 0.77 0.16 0.28 -0.06 0.02 0.00 0.00 175.30 176.46 2a55 s PHE 23 N -2.72 -0.47 1.07 -0.53 0.40 -1.26 -5.01 117.98 109.46 2a55 s PHE 23 Ca 0.31 0.58 -0.18 0.00 -0.60 0.00 0.00 56.93 57.04 2a55 s PHE 23 Cb 0.01 -0.17 0.06 0.00 0.51 0.00 0.00 43.02 43.43 2a55 s PHE 23 CO 0.14 -0.58 -0.03 1.63 0.70 0.00 0.00 175.22 177.08 2a55 n LYS 24 N 5.34 -1.15 0.00 0.44 5.02 -1.26 -3.80 118.16 122.75 2a55 n LYS 24 Ca -0.05 -0.31 0.06 0.00 -2.02 0.00 0.00 58.31 55.98 2a55 n LYS 24 Cb 0.50 -1.67 0.30 0.00 -0.02 0.00 0.00 35.03 34.14 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2a55 n THR 25 N -4.12 0.82 0.59 -0.18 -2.24 -1.24 -1.76 114.28 106.15 2a55 n THR 25 Ca 0.02 0.20 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 2a55 n THR 25 Cb 0.61 -1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.23 -1.03 3.58 3.38 0.00 -1.26 -4.09 105.19 105.54 2a55 n GLY 26 Ca 0.05 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.21 2.09 -0.30 2.61 -1.32 -0.72 -4.96 115.64 109.83 2a55 s THR 27 Ca 0.02 0.03 -0.12 0.00 -1.21 0.00 0.00 61.69 60.41 2a55 s THR 27 Cb 0.15 -2.09 0.13 0.00 -1.51 0.00 0.00 72.50 69.17 2a55 s THR 27 CO 0.87 -0.04 0.73 -0.89 -2.21 0.00 0.00 174.62 173.08 2a55 s THR 28 N -2.56 -0.71 0.38 5.08 2.01 -1.26 -4.11 115.64 114.47 2a55 s THR 28 Ca 0.67 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.65 2a55 s THR 28 Cb -0.24 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.35 2a55 s THR 28 CO 0.62 0.00 0.52 0.18 -0.69 0.00 0.00 174.62 175.25 2a55 n LEU 29 N 5.11 0.00 0.00 4.42 4.32 -0.83 -4.93 117.00 125.09 2a55 n LEU 29 Ca -0.13 -0.92 0.00 0.00 -0.02 0.00 0.00 56.01 54.94 2a55 n LEU 29 Cb 0.52 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 2a55 n LEU 29 CO -0.03 -0.80 0.00 1.17 -1.22 0.00 0.00 177.39 176.51 2a55 n LYS 30 N -2.02 0.00 -0.67 3.23 0.00 -1.24 -4.16 118.16 113.30 2a55 n LYS 30 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.39 2a55 n LYS 30 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 35.22 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 -1.68 -1.60 -4.02 5.64 4.01 -1.25 -3.91 117.16 114.34 2a55 n TYR 31 Ca 0.00 0.85 -0.22 0.00 -0.16 0.00 0.00 57.90 58.37 2a55 n TYR 31 Cb 0.00 -2.27 -0.05 0.00 -0.31 0.00 0.00 39.34 36.70 2a55 n TYR 31 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2a55 s THR 32 N -1.17 3.21 -0.15 -0.72 -1.32 0.12 -4.82 115.64 110.79 2a55 s THR 32 Ca 0.00 -1.60 -0.00 0.00 -1.21 0.00 0.00 61.69 58.88 2a55 s THR 32 Cb 0.00 -3.04 -0.01 0.00 -1.51 0.00 0.00 72.50 67.94 2a55 s THR 32 CO 0.00 -0.19 -0.14 0.00 -2.21 0.00 0.00 174.62 172.08 2a55 n LEU 34 N 3.98 -1.92 -4.52 0.00 4.77 -1.26 -4.71 117.00 113.33 2a55 n LEU 34 Ca -0.19 0.55 -0.46 0.00 -0.03 0.00 0.00 56.01 55.89 2a55 n LEU 34 Cb 0.52 -1.01 -0.05 0.00 -2.33 0.00 0.00 43.42 40.55 2a55 n LEU 34 CO 0.29 -4.20 1.86 -0.81 -1.33 0.00 0.00 177.39 173.20 2a55 n PRO 35 N 0.64 1.44 0.00 3.23 -0.04 -1.26 -1.42 135.00 137.58 2a55 n PRO 35 Ca 0.07 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2a55 n PRO 35 Cb 0.50 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 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 6.16 2.45 3.55 0.55 0.00 -1.26 -5.03 105.19 111.60 2a55 n GLY 36 Ca 0.37 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 1.10 -1.16 1.61 4.01 -0.51 -3.55 117.16 118.67 2a55 n TYR 37 Ca 0.00 0.03 -0.29 0.00 -0.16 0.00 0.00 57.90 57.48 2a55 n TYR 37 Cb 0.00 -2.42 0.19 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 12.73 1.91 -0.10 -0.72 1.01 0.33 -4.32 120.40 131.24 2a55 s VAL 38 Ca 0.99 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 2a55 s VAL 38 Cb -0.24 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 2a55 s VAL 38 CO 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 175.10 175.26 2a55 s ARG 39 N -5.08 3.10 0.00 2.72 1.70 -1.26 0.31 118.95 120.44 2a55 s ARG 39 Ca 0.67 -0.47 0.00 0.00 -0.47 0.00 0.00 55.73 55.46 2a55 s ARG 39 Cb -0.16 -2.78 0.00 0.00 -0.57 0.00 0.00 34.95 31.44 2a55 s ARG 39 CO 0.57 0.58 0.00 0.45 -1.08 0.00 0.00 175.30 175.82 2a55 n SER 40 N 2.51 0.00 0.00 -2.89 2.88 -1.26 -4.91 113.62 109.94 2a55 n SER 40 Ca -0.18 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 2a55 n SER 40 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2a55 n SER 40 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2a55 n HIS 41 N 0.00 0.00 0.00 0.66 8.25 -1.26 -5.08 115.22 117.79 2a55 n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2a55 n HIS 41 Cb 0.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 0.00 0.00 0.00 0.41 2.88 -1.26 -4.90 113.62 110.75 2a55 n SER 42 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2a55 n SER 42 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2a55 n THR 43 N 0.00 0.00 0.00 2.46 -1.04 -1.26 -4.91 114.28 109.52 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 -3.64 -2.82 10.64 -1.26 -2.70 117.38 117.59 2a55 n GLN 44 Ca 0.00 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.12 2a55 n GLN 44 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 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 -0.17 -0.39 -4.23 -1.25 -4.76 115.64 104.84 2a55 s THR 45 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 2a55 s THR 45 Cb 0.00 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.82 2a55 s THR 45 CO 0.00 0.00 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.27 2a55 s LEU 46 N -0.16 3.11 0.08 4.79 1.02 -1.26 -4.64 118.68 121.62 2a55 s LEU 46 Ca 0.06 -0.21 0.07 0.00 0.02 0.00 0.00 54.13 54.07 2a55 s LEU 46 Cb -0.04 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.39 2a55 s LEU 46 CO -0.11 0.12 -0.19 -0.89 0.02 0.00 0.00 176.35 175.30 2a55 s THR 47 N 0.63 1.50 -0.25 5.49 2.01 -1.05 -1.97 115.64 122.00 2a55 s THR 47 Ca -0.03 -1.35 -0.21 0.00 0.31 0.00 0.00 61.69 60.41 2a55 s THR 47 Cb -0.15 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 2a55 s THR 47 CO 0.02 -0.03 0.66 0.00 -0.69 0.00 0.00 174.62 174.58 2a55 s ASN 49 N 1.43 5.13 -1.35 0.00 6.03 -1.22 -4.16 114.94 120.80 2a55 s ASN 49 Ca 0.28 -0.77 -0.13 0.00 -1.03 0.00 0.00 52.86 51.20 2a55 s ASN 49 Cb -0.15 -0.27 -0.04 0.00 -3.03 0.00 0.00 41.25 37.76 2a55 s ASN 49 CO 0.08 -0.88 2.38 -0.24 -2.03 0.00 0.00 177.10 176.41 2a55 n SER 50 N -1.78 5.14 0.00 3.54 2.88 -1.26 -3.03 113.62 119.11 2a55 n SER 50 Ca 0.06 -2.69 0.00 0.00 -1.33 0.00 0.00 58.87 54.91 2a55 n SER 50 Cb 0.62 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 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 5.42 0.00 -1.33 -3.46 -0.08 -1.26 -5.00 116.55 110.84 2a55 n ASP 51 Ca 0.58 -0.90 -0.17 0.00 -1.51 0.00 0.00 54.79 52.79 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 1.71 3.18 0.27 0.00 -1.17 -4.97 105.19 104.21 2a55 n GLY 52 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 2a55 n GLY 52 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2a55 s GLU 53 N -3.46 0.86 -0.36 1.61 -1.05 -1.26 -4.53 118.70 110.51 2a55 s GLU 53 Ca 0.00 -1.17 -0.26 0.00 -0.15 0.00 0.00 54.97 53.39 2a55 s GLU 53 Cb 0.00 -0.54 0.01 0.00 -0.44 0.00 0.00 34.13 33.17 2a55 s GLU 53 CO 0.00 0.08 0.94 -1.58 0.95 0.00 0.00 175.26 175.65 2a55 s TRP 54 N -2.49 3.10 0.15 4.83 0.52 -1.26 -3.40 118.94 120.38 2a55 s TRP 54 Ca 0.06 0.84 -0.00 0.00 0.02 0.00 0.00 56.10 57.02 2a55 s TRP 54 Cb -0.03 -3.63 -0.04 0.00 -1.15 0.00 0.00 33.47 28.63 2a55 s TRP 54 CO -0.00 -0.80 0.33 0.14 0.02 0.00 0.00 176.95 176.64 2a55 s VAL 55 N 3.47 5.26 0.00 4.03 -7.23 -0.70 -4.92 120.40 120.32 2a55 s VAL 55 Ca 0.39 -0.39 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2a55 s VAL 55 Cb -0.12 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.12 2a55 s VAL 55 CO 0.18 -0.07 0.00 0.00 -0.31 0.00 0.00 175.10 174.90 2a55 n TYR 56 N -0.36 0.00 -2.97 2.82 0.18 -1.26 -2.53 117.16 113.04 2a55 n TYR 56 Ca -0.05 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.55 2a55 n TYR 56 Cb 0.53 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.53 2a55 n TYR 56 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 2a55 s ASN 57 N 0.00 5.37 -1.16 9.48 0.02 -1.26 -4.98 114.94 122.40 2a55 s ASN 57 Ca 0.00 -0.55 -0.20 0.00 -1.02 0.00 0.00 52.86 51.09 2a55 s ASN 57 Cb 0.00 -0.29 -0.05 0.00 0.02 0.00 0.00 41.25 40.93 2a55 s ASN 57 CO 0.00 -1.05 1.91 0.41 0.02 0.00 0.00 177.10 178.39 2a55 n THR 58 N -2.07 2.61 -1.62 1.60 -1.04 -1.26 -4.89 114.28 107.60 2a55 n THR 58 Ca 0.11 -2.60 -0.47 0.00 -2.04 0.00 0.00 64.05 59.06 2a55 n THR 58 Cb 0.60 -2.29 -0.03 0.00 -1.82 0.00 0.00 70.33 66.78 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 10.57 1.65 -4.89 -1.42 1.16 -1.26 -4.37 117.46 118.90 2a55 n PHE 59 Ca 0.48 0.58 0.00 0.00 -1.87 0.00 0.00 57.45 56.64 2a55 n PHE 59 Cb 0.44 -2.35 0.00 0.00 -1.61 0.00 0.00 39.48 35.96 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 s ILE 61 N 0.00 -0.05 0.11 0.00 2.07 0.92 -4.36 121.20 119.89 2a55 s ILE 61 Ca 0.00 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 58.93 2a55 s ILE 61 Cb 0.00 -0.05 -0.10 0.00 0.13 0.00 0.00 42.46 42.44 2a55 s ILE 61 CO 0.00 0.00 1.88 0.00 -1.91 0.00 0.00 174.94 174.91 2a55 n TYR 62 N 4.94 2.62 -3.39 3.50 4.19 -1.26 -0.51 117.16 127.25 2a55 n TYR 62 Ca 0.10 -0.22 0.01 0.00 3.31 0.00 0.00 57.90 61.11 2a55 n TYR 62 Cb 0.59 -2.76 -0.03 0.00 0.49 0.00 0.00 39.34 37.64 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 3.14 0.56 0.43 2.98 -2.85 -1.23 -4.80 119.74 117.97 2a55 s LYS 63 Ca 0.83 1.20 0.03 0.00 -1.00 0.00 0.00 55.97 57.04 2a55 s LYS 63 Cb -0.46 0.67 -0.02 0.00 -2.06 0.00 0.00 37.83 35.96 2a55 s LYS 63 CO 0.38 -0.43 0.11 -0.98 0.10 0.00 0.00 175.35 174.53 2a55 s ARG 64 N 2.87 1.99 -0.13 1.78 1.70 -1.26 -3.84 118.95 122.05 2a55 s ARG 64 Ca 0.08 -2.23 0.00 0.00 -0.47 0.00 0.00 55.73 53.12 2a55 s ARG 64 Cb -0.14 -0.78 -0.01 0.00 -0.57 0.00 0.00 34.95 33.45 2a55 s ARG 64 CO -0.20 -0.46 -0.14 0.00 -1.08 0.00 0.00 175.30 173.42 2a55 n ARG 66 N 3.61 1.31 -1.67 0.00 3.00 -1.26 -4.75 116.66 116.90 2a55 n ARG 66 Ca -0.18 0.46 -0.56 0.00 -0.00 0.00 0.00 57.85 57.57 2a55 n ARG 66 Cb 0.53 -1.85 -0.07 0.00 0.00 0.00 0.00 32.46 31.06 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 0.05 1.82 -0.36 -0.14 -0.00 -1.26 -4.79 115.22 110.53 2a55 n HIS 67 Ca 0.10 0.61 0.29 0.00 -0.00 0.00 0.00 57.72 58.71 2a55 n HIS 67 Cb 0.33 -2.40 0.55 0.00 -0.00 0.00 0.00 29.99 28.48 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 6.12 0.20 0.00 1.57 0.11 -1.96 -3.47 132.00 134.58 2a55 h PRO 68 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2a55 h PRO 68 Cb 1.33 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2a55 h PRO 68 CO 0.89 0.13 0.00 0.41 -0.21 0.00 0.00 178.00 179.23 2a55 n GLY 69 N -1.38 -1.65 3.72 -0.55 0.00 -1.26 -4.49 105.19 99.58 2a55 n GLY 69 Ca 0.34 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.82 4.61 -0.57 1.61 2.12 -1.26 -4.87 118.70 119.51 2a55 s GLU 70 Ca 0.00 1.40 -0.14 0.00 0.36 0.00 0.00 54.97 56.59 2a55 s GLU 70 Cb 0.00 -3.42 0.14 0.00 0.26 0.00 0.00 34.13 31.11 2a55 s GLU 70 CO 0.00 0.07 0.51 -1.17 -0.54 0.00 0.00 175.26 174.13 2a55 s LEU 71 N 0.57 6.15 0.15 2.70 2.96 -1.26 -4.90 118.68 125.05 2a55 s LEU 71 Ca 0.49 -1.99 -0.31 0.00 -0.22 0.00 0.00 54.13 52.10 2a55 s LEU 71 Cb -0.22 -2.16 -0.10 0.00 0.50 0.00 0.00 46.19 44.21 2a55 s LEU 71 CO 0.28 -0.77 1.61 -0.60 -1.32 0.00 0.00 176.35 175.55 2a55 s ARG 72 N 1.28 4.20 0.00 1.98 3.52 -1.26 -0.17 118.95 128.50 2a55 s ARG 72 Ca 0.06 2.39 0.00 0.00 -0.13 0.00 0.00 55.73 58.05 2a55 s ARG 72 Cb -0.26 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 2a55 s ARG 72 CO 0.00 -0.66 0.00 0.09 -0.81 0.00 0.00 175.30 173.93 2a55 n ASN 73 N 4.37 -1.10 -2.71 -2.12 5.03 -1.26 -4.51 115.26 112.96 2a55 n ASN 73 Ca 0.15 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.47 2a55 n ASN 73 Cb 0.39 -0.81 -0.03 0.00 -1.02 0.00 0.00 39.78 38.31 2a55 n ASN 73 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a55 n GLY 74 N -2.00 3.76 3.01 7.41 0.00 0.76 -0.28 105.19 117.85 2a55 n GLY 74 Ca 0.00 -2.07 -0.19 0.00 0.00 0.00 0.00 46.02 43.75 2a55 n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a55 s GLN 75 N -2.73 0.82 -0.38 1.61 0.74 0.23 -4.68 119.66 115.27 2a55 s GLN 75 Ca 0.07 -0.31 -0.09 0.00 0.05 0.00 0.00 55.36 55.09 2a55 s GLN 75 Cb 0.00 -0.79 0.05 0.00 1.10 0.00 0.00 33.01 33.38 2a55 s GLN 75 CO 0.05 0.15 0.20 0.08 -0.55 0.00 0.00 175.29 175.22 2a55 s VAL 76 N -0.01 4.21 -0.72 1.34 1.01 -1.26 -1.12 120.40 123.85 2a55 s VAL 76 Ca 0.00 -1.16 -0.27 0.00 0.00 0.00 0.00 61.98 60.56 2a55 s VAL 76 Cb -0.06 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.88 2a55 s VAL 76 CO -0.00 -0.33 1.51 -0.70 0.00 0.00 0.00 175.10 175.58 2a55 s GLU 77 N 1.46 3.00 0.08 2.72 2.56 -0.77 -4.97 118.70 122.77 2a55 s GLU 77 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 54.97 55.07 2a55 s GLU 77 Cb -0.21 -4.34 -0.03 0.00 2.00 0.00 0.00 34.13 31.55 2a55 s GLU 77 CO 0.04 -2.39 -0.22 0.42 -0.56 0.00 0.00 175.26 172.55 2a55 s ILE 78 N 6.98 1.79 0.00 -3.70 1.09 -1.26 -4.23 121.20 121.86 2a55 s ILE 78 Ca 0.48 -1.44 0.00 0.00 -1.10 0.00 0.00 60.65 58.59 2a55 s ILE 78 Cb -0.09 -1.59 0.00 0.00 -1.06 0.00 0.00 42.46 39.72 2a55 s ILE 78 CO 0.15 0.08 0.00 2.29 -0.10 0.00 0.00 174.94 177.36 2a55 n LYS 79 N 1.38 0.00 0.00 2.79 0.00 -1.26 -4.93 118.16 116.14 2a55 n LYS 79 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 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 -1.29 0.00 -0.94 0.58 -2.24 -1.26 -4.78 114.28 104.35 2a55 n THR 80 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a55 n THR 80 Cb 0.00 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.31 -5.52 -2.89 3.42 9.92 -1.26 -1.94 116.55 117.97 2a55 n ASP 81 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 2a55 n ASP 81 Cb 0.06 -3.34 0.06 0.00 -0.64 0.00 0.00 41.12 37.26 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 -4.41 -1.68 0.64 4.32 -1.26 -4.89 117.00 109.72 2a55 n LEU 82 Ca 0.00 -0.53 -0.13 0.00 -0.02 0.00 0.00 56.01 55.33 2a55 n LEU 82 Cb 0.46 -2.62 0.06 0.00 -1.62 0.00 0.00 43.42 39.70 2a55 n LEU 82 CO 0.00 0.16 1.00 -1.54 -1.22 0.00 0.00 177.39 175.79 2a55 n SER 83 N -2.80 4.65 -1.82 -1.43 3.41 -0.82 -3.45 113.62 111.37 2a55 n SER 83 Ca -0.12 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 2a55 n SER 83 Cb 0.61 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 0.06 -4.87 -1.84 7.33 7.35 -1.25 -4.80 117.46 119.43 2a55 n PHE 84 Ca 0.27 2.57 0.00 0.00 -0.76 0.00 0.00 57.45 59.53 2a55 n PHE 84 Cb 0.83 -3.76 0.00 0.00 0.35 0.00 0.00 39.48 36.90 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 -0.35 0.72 3.17 7.13 0.00 -1.16 -4.99 105.19 109.70 2a55 n GLY 85 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 2a55 n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a55 s SER 86 N -2.86 1.43 -0.14 1.61 0.01 -1.26 -4.93 113.70 107.57 2a55 s SER 86 Ca 0.00 -0.79 -0.03 0.00 1.31 0.00 0.00 55.95 56.44 2a55 s SER 86 Cb 0.00 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 2a55 s SER 86 CO 0.00 -0.25 -0.02 -1.58 0.41 0.00 0.00 173.24 171.80 2a55 s GLN 87 N -2.68 3.48 -0.31 12.44 -0.44 -1.26 -2.99 119.66 127.89 2a55 s GLN 87 Ca 0.04 -0.48 0.01 0.00 -2.50 0.00 0.00 55.36 52.44 2a55 s GLN 87 Cb -0.03 -2.89 0.09 0.00 -1.64 0.00 0.00 33.01 28.54 2a55 s GLN 87 CO 0.00 0.38 0.06 0.96 0.50 0.00 0.00 175.29 177.19 2a55 s ILE 88 N -0.01 1.50 0.23 -2.34 -4.36 -0.81 -4.92 121.20 110.48 2a55 s ILE 88 Ca 0.02 -1.72 -0.30 0.00 -0.26 0.00 0.00 60.65 58.39 2a55 s ILE 88 Cb -0.13 -2.07 -0.09 0.00 1.25 0.00 0.00 42.46 41.43 2a55 s ILE 88 CO 0.02 -0.56 1.11 -1.61 0.24 0.00 0.00 174.94 174.14 2a55 s GLU 89 N 1.32 4.61 -0.09 0.37 2.02 -1.25 -3.45 118.70 122.23 2a55 s GLU 89 Ca 0.08 1.77 -0.04 0.00 0.02 0.00 0.00 54.97 56.80 2a55 s GLU 89 Cb -0.18 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 2a55 s GLU 89 CO -0.16 0.14 0.10 -0.06 0.02 0.00 0.00 175.26 175.30 2a55 s PHE 90 N -0.70 3.43 -0.14 1.61 0.40 -1.04 -1.85 117.98 119.70 2a55 s PHE 90 Ca 0.47 0.38 0.00 0.00 -0.60 0.00 0.00 56.93 57.18 2a55 s PHE 90 Cb -0.31 -1.86 0.02 0.00 0.51 0.00 0.00 43.02 41.38 2a55 s PHE 90 CO 0.38 0.63 -0.12 -1.12 0.70 0.00 0.00 175.22 175.70 2a55 s SER 91 N -1.16 2.51 -0.20 1.36 0.01 -0.28 -4.84 113.70 111.10 2a55 s SER 91 Ca 0.17 -0.43 -0.25 0.00 1.31 0.00 0.00 55.95 56.76 2a55 s SER 91 Cb -0.12 -1.06 -0.01 0.00 0.21 0.00 0.00 66.02 65.04 2a55 s SER 91 CO 0.06 -0.08 0.81 0.00 0.41 0.00 0.00 173.24 174.44 2a55 n SER 93 N 5.48 -4.72 0.00 0.00 7.64 0.61 -4.51 113.62 118.13 2a55 n SER 93 Ca 0.04 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2a55 n SER 93 Cb 0.48 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 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 2.43 0.00 0.27 1.43 2.13 -1.26 -0.58 120.64 125.06 2a55 n GLU 94 Ca -0.02 0.33 0.14 0.00 0.66 0.00 0.00 57.16 58.27 2a55 n GLU 94 Cb 0.64 -0.54 0.72 0.00 0.27 0.00 0.00 31.44 32.54 2a55 n GLU 94 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2a55 h GLY 95 N 0.00 0.00 -6.01 8.31 0.00 -1.96 -3.42 103.07 99.98 2a55 h GLY 95 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 2a55 h GLY 95 CO 0.00 0.00 -0.68 -1.36 0.00 0.00 0.00 176.54 174.50 2a55 s PHE 96 N -3.96 3.00 0.50 5.60 0.08 0.26 0.35 117.98 123.81 2a55 s PHE 96 Ca -0.02 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.69 2a55 s PHE 96 Cb 0.12 -1.98 0.03 0.00 -0.57 0.00 0.00 43.02 40.62 2a55 s PHE 96 CO 0.56 -0.12 0.69 -0.59 -0.10 0.00 0.00 175.22 175.66 2a55 s PHE 97 N 0.54 2.60 0.09 0.36 -0.71 -0.48 -3.01 117.98 117.36 2a55 s PHE 97 Ca -0.03 -0.30 -0.14 0.00 -1.04 0.00 0.00 56.93 55.42 2a55 s PHE 97 Cb -0.14 -2.53 -0.06 0.00 -1.21 0.00 0.00 43.02 39.08 2a55 s PHE 97 CO 0.03 -0.74 0.49 -1.17 -1.34 0.00 0.00 175.22 172.49 2a55 s LEU 98 N -4.57 4.41 -0.31 -1.99 0.20 -1.26 -3.02 118.68 112.13 2a55 s LEU 98 Ca 0.57 1.03 0.05 0.00 0.69 0.00 0.00 54.13 56.47 2a55 s LEU 98 Cb -0.09 -2.98 0.18 0.00 -0.43 0.00 0.00 46.19 42.86 2a55 s LEU 98 CO 0.36 0.20 0.53 -0.63 -0.29 0.00 0.00 176.35 176.52 2a55 s ILE 99 N -1.30 -0.85 0.00 6.68 1.01 -1.07 -4.98 121.20 120.70 2a55 s ILE 99 Ca 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2a55 s ILE 99 Cb -0.16 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.47 2a55 s ILE 99 CO 0.18 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2a55 n GLY 100 N 5.20 -1.19 0.00 6.18 0.00 -1.26 -2.02 105.19 112.10 2a55 n GLY 100 Ca 0.05 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 0.03 1.61 2.88 -1.26 -5.02 113.62 111.86 2a55 n SER 101 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2a55 n SER 101 Cb 0.00 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.62 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 1.62 -4.40 2.46 -2.24 -1.26 -4.61 114.28 105.85 2a55 n THR 102 Ca 0.00 0.47 -0.26 0.00 -2.27 0.00 0.00 64.05 61.99 2a55 n THR 102 Cb 0.00 -1.42 -0.10 0.00 -2.10 0.00 0.00 70.33 66.71 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 -3.09 2.66 -0.17 4.28 -4.23 -1.26 -2.50 115.64 111.33 2a55 s THR 103 Ca 0.01 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.43 2a55 s THR 103 Cb 0.03 -2.33 0.08 0.00 1.34 0.00 0.00 72.50 71.62 2a55 s THR 103 CO 0.10 -0.21 0.26 -0.55 -0.54 0.00 0.00 174.62 173.67 2a55 s SER 104 N -3.02 0.73 0.09 3.99 0.15 -1.22 -4.79 113.70 109.63 2a55 s SER 104 Ca 0.25 0.24 0.02 0.00 0.70 0.00 0.00 55.95 57.16 2a55 s SER 104 Cb -0.07 0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 2a55 s SER 104 CO 0.13 -0.28 0.13 -0.13 1.20 0.00 0.00 173.24 174.29 2a55 s ARG 105 N 2.40 3.07 -0.33 5.44 0.52 -1.26 -1.93 118.95 126.86 2a55 s ARG 105 Ca 0.05 -0.63 -0.12 0.00 -0.52 0.00 0.00 55.73 54.50 2a55 s ARG 105 Cb -0.14 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 2a55 s ARG 105 CO -0.11 0.57 0.23 0.00 0.02 0.00 0.00 175.30 176.01 2a55 n GLU 107 N 5.09 1.10 -4.28 0.00 4.07 0.23 -2.99 120.64 123.86 2a55 n GLU 107 Ca -0.13 -2.63 -0.23 0.00 -0.06 0.00 0.00 57.16 54.11 2a55 n GLU 107 Cb 0.50 0.66 -0.17 0.00 -0.06 0.00 0.00 31.44 32.38 2a55 n GLU 107 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2a55 s VAL 108 N -2.27 0.82 -0.06 6.31 1.01 -1.26 0.89 120.40 125.84 2a55 s VAL 108 Ca 0.02 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.78 2a55 s VAL 108 Cb -0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 2a55 s VAL 108 CO 0.02 0.30 -0.21 -1.10 0.00 0.00 0.00 175.10 174.10 2a55 s GLN 109 N 0.97 2.27 0.44 2.72 -0.21 -1.26 -4.58 119.66 120.00 2a55 s GLN 109 Ca -0.10 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 54.54 2a55 s GLN 109 Cb -0.15 -1.89 0.00 0.00 1.00 0.00 0.00 33.01 31.98 2a55 s GLN 109 CO 0.00 0.27 0.00 -0.25 -2.12 0.00 0.00 175.29 173.19 2a55 n ASP 110 N 3.19 0.00 0.00 5.90 9.92 -1.26 -2.25 116.55 132.05 2a55 n ASP 110 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 2a55 n ASP 110 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 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 -0.53 -1.24 1.85 -1.26 -4.95 116.66 110.53 2a55 n ARG 111 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.89 2a55 n ARG 111 Cb 0.00 0.00 0.20 0.00 -1.05 0.00 0.00 32.46 31.61 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 4.81 1.37 2.89 0.00 -0.95 -5.06 105.19 108.25 2a55 n GLY 112 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.08 -2.56 -4.70 1.61 3.14 -1.22 -4.83 118.33 108.69 2a55 n VAL 113 Ca 0.24 1.19 -0.29 0.00 -2.96 0.00 0.00 64.34 62.52 2a55 n VAL 113 Cb 0.83 -1.72 -0.14 0.00 -1.06 0.00 0.00 33.84 31.75 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 -3.79 1.40 0.68 7.55 0.00 0.26 -4.38 107.32 109.04 2a55 s GLY 114 Ca 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 44.72 43.31 2a55 s GLY 114 CO 0.00 -1.21 0.87 0.79 0.00 0.00 0.00 173.10 173.54 2a55 n TRP 115 N 1.52 -3.93 0.00 1.90 5.03 -1.26 -0.60 117.44 120.10 2a55 n TRP 115 Ca -0.17 -0.77 0.00 0.00 3.03 0.00 0.00 57.50 59.59 2a55 n TRP 115 Cb 0.52 -0.70 0.00 0.00 -1.03 0.00 0.00 31.31 30.10 2a55 n TRP 115 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 2a55 n SER 116 N -3.69 3.25 -3.64 -0.99 7.64 -1.13 -4.64 113.62 110.42 2a55 n SER 116 Ca 0.11 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.92 2a55 n SER 116 Cb 0.39 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.52 2a55 n SER 116 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2a55 s HIS 117 N -1.85 -0.59 0.00 1.43 5.65 -1.26 -4.96 115.29 113.70 2a55 s HIS 117 Ca 0.00 1.33 0.00 0.00 0.25 0.00 0.00 55.06 56.64 2a55 s HIS 117 Cb 0.00 0.38 0.00 0.00 -1.18 0.00 0.00 32.58 31.78 2a55 s HIS 117 CO 0.00 -0.29 0.00 -0.35 -0.65 0.00 0.00 174.74 173.45 2a55 n PRO 118 N 2.89 3.58 -1.74 2.88 -0.04 -1.26 -4.77 135.00 136.55 2a55 n PRO 118 Ca -0.15 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 2a55 n PRO 118 Cb 0.57 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 2a55 n PRO 118 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2a55 s LEU 119 N 0.00 4.41 0.00 1.53 2.01 -1.26 -4.95 118.68 120.42 2a55 s LEU 119 Ca 0.00 2.64 0.00 0.00 0.01 0.00 0.00 54.13 56.78 2a55 s LEU 119 Cb 0.00 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.66 2a55 s LEU 119 CO 0.00 -1.01 0.00 -0.81 1.01 0.00 0.00 176.35 175.54 2a55 n PRO 120 N 6.77 -0.68 -3.65 1.29 -0.04 -1.26 -5.01 135.00 132.42 2a55 n PRO 120 Ca 0.19 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.26 2a55 n PRO 120 Cb 0.40 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.75 2a55 n PRO 120 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2a55 s GLN 121 N -2.58 3.33 -0.46 0.54 -0.21 -0.86 -4.92 119.66 114.50 2a55 s GLN 121 Ca 0.00 -0.73 -0.16 0.00 0.02 0.00 0.00 55.36 54.49 2a55 s GLN 121 Cb 0.00 -3.57 0.05 0.00 1.00 0.00 0.00 33.01 30.49 2a55 s GLN 121 CO 0.00 -0.42 0.41 0.00 -2.12 0.00 0.00 175.29 173.15 2a55 s GLU 123 N 1.83 1.67 0.69 0.00 2.56 -1.17 -4.89 118.70 119.39 2a55 s GLU 123 Ca 0.07 -1.02 -0.17 0.00 0.00 0.00 0.00 54.97 53.85 2a55 s GLU 123 Cb -0.22 -1.80 -0.02 0.00 2.00 0.00 0.00 34.13 34.10 2a55 s GLU 123 CO 0.09 0.47 0.89 1.51 -0.56 0.00 0.00 175.26 177.65 2a55 n ILE 124 N 1.90 2.92 -0.43 -3.70 0.13 -1.26 -1.38 119.36 117.53 2a55 n ILE 124 Ca -0.17 -0.41 0.00 0.00 -1.10 0.00 0.00 62.75 61.07 2a55 n ILE 124 Cb 0.52 -1.05 0.00 0.00 -0.84 0.00 0.00 39.64 38.28 2a55 n ILE 124 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 2a55 n LEU 125 N -1.19 0.00 -4.31 9.51 4.77 0.16 -4.76 117.00 121.17 2a55 n LEU 125 Ca 0.13 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.65 2a55 n LEU 125 Cb 0.49 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2a55 n LEU 125 CO 0.49 -0.79 0.32 -0.70 -1.33 0.00 0.00 177.39 175.38 2a55 s GLU 126 N -2.36 3.35 0.00 3.23 2.12 -1.26 -4.49 118.70 119.30 2a55 s GLU 126 Ca 0.00 -2.24 0.00 0.00 0.36 0.00 0.00 54.97 53.09 2a55 s GLU 126 Cb 0.00 -4.35 0.00 0.00 0.26 0.00 0.00 34.13 30.04 2a55 s GLU 126 CO 0.00 -1.29 0.00 -2.39 -0.54 0.00 0.00 175.26 171.04 2a55 n HIS 127 N 4.33 0.00 -2.83 5.30 1.44 -1.26 -5.14 115.22 117.05 2a55 n HIS 127 Ca 0.05 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.44 2a55 n HIS 127 Cb 0.44 0.05 -0.06 0.00 0.12 0.00 0.00 29.99 30.54 2a55 n HIS 127 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2a55 s HIS 128 N 0.00 3.37 0.02 -1.40 -3.43 -1.26 -5.08 115.29 107.50 2a55 s HIS 128 Ca 0.00 1.42 0.00 0.00 -0.80 0.00 0.00 55.06 55.68 2a55 s HIS 128 Cb 0.00 -2.71 -0.00 0.00 -1.43 0.00 0.00 32.58 28.44 2a55 s HIS 128 CO 0.00 -0.10 0.00 0.72 -2.00 0.00 0.00 174.74 173.36 2a55 n HIS 129 N -0.80 0.01 -3.76 0.38 -0.00 -1.26 -5.14 115.22 104.65 2a55 n HIS 129 Ca 0.05 -0.11 -0.35 0.00 -0.00 0.00 0.00 57.72 57.32 2a55 n HIS 129 Cb 0.54 -0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.45 2a55 n HIS 129 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2a55 s HIS 130 N -1.50 3.41 0.00 4.41 3.76 -1.26 -4.93 115.29 119.18 2a55 s HIS 130 Ca 0.01 0.33 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 2a55 s HIS 130 Cb 0.00 -2.14 0.00 0.00 1.11 0.00 0.00 32.58 31.55 2a55 s HIS 130 CO 0.00 0.31 0.01 0.72 -0.85 0.00 0.00 174.74 174.93 2a55 n HIS 131 N 3.42 0.00 1.35 1.40 8.25 -1.26 -5.35 115.22 123.03 2a55 n HIS 131 Ca -0.16 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.41 2a55 n HIS 131 Cb 0.52 0.00 0.64 0.00 1.12 0.00 0.00 29.99 32.28 2a55 n HIS 131 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56