#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 -0.21 0.39 7.83 0.02 -1.26 -3.30 114.94 118.41 2a55 s ASN 1 Ca 0.00 0.29 0.08 0.00 -1.02 0.00 0.00 52.86 52.21 2a55 s ASN 1 Cb 0.00 0.44 -0.00 0.00 0.02 0.00 0.00 41.25 41.70 2a55 s ASN 1 CO 0.00 -0.25 0.49 0.00 0.02 0.00 0.00 177.10 177.35 2a55 s GLY 3 N -4.24 2.98 0.04 0.00 0.00 -1.22 -4.33 107.32 100.54 2a55 s GLY 3 Ca 0.50 0.78 -0.30 0.00 0.00 0.00 0.00 44.72 45.70 2a55 s GLY 3 CO 0.31 1.33 0.77 -1.05 0.00 0.00 0.00 173.10 174.46 2a55 n PRO 4 N 0.89 0.00 -1.62 2.90 -0.02 -1.25 -4.77 135.00 131.13 2a55 n PRO 4 Ca 0.00 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 61.01 2a55 n PRO 4 Cb 0.47 -1.13 -0.04 0.00 -0.02 0.00 0.00 33.50 32.78 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 1.13 1.57 0.00 0.52 -0.02 -1.26 -4.99 135.00 131.95 2a55 n PRO 5 Ca 0.16 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2a55 n PRO 5 Cb 0.10 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2a55 n PRO 5 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2a55 n PRO 6 N 1.97 -0.21 -2.66 0.52 -0.02 -1.26 -4.97 135.00 128.36 2a55 n PRO 6 Ca 0.14 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 2a55 n PRO 6 Cb 0.27 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.77 2a55 n PRO 6 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2a55 n THR 7 N -2.08 6.06 -1.67 3.45 5.66 -1.26 -5.02 114.28 119.43 2a55 n THR 7 Ca 0.00 -5.98 -0.63 0.00 -3.05 0.00 0.00 64.05 54.39 2a55 n THR 7 Cb 0.00 -1.57 -0.09 0.00 -1.55 0.00 0.00 70.33 67.12 2a55 n THR 7 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2a55 n LEU 8 N -0.01 1.59 -0.12 1.09 4.32 -1.26 -4.78 117.00 117.82 2a55 n LEU 8 Ca 0.46 1.06 -0.01 0.00 -0.02 0.00 0.00 56.01 57.50 2a55 n LEU 8 Cb 0.26 -0.98 0.25 0.00 -1.62 0.00 0.00 43.42 41.33 2a55 n LEU 8 CO 0.53 -0.69 1.06 0.28 -1.22 0.00 0.00 177.39 177.35 2a55 h SER 9 N 6.54 0.72 0.00 -1.43 0.02 -2.02 -1.90 113.55 115.47 2a55 h SER 9 Ca -0.40 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2a55 h SER 9 Cb 1.36 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2a55 h SER 9 CO 0.99 0.64 0.00 2.22 -1.14 0.00 0.00 176.83 179.54 2a55 n PHE 10 N -4.34 0.00 -3.62 3.45 1.16 -1.26 -4.82 117.46 108.03 2a55 n PHE 10 Ca 0.05 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.52 2a55 n PHE 10 Cb 0.16 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.00 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 s ALA 11 N -2.00 -1.21 -0.01 1.98 0.00 -0.72 -4.54 121.76 115.27 2a55 s ALA 11 Ca 0.34 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.39 2a55 s ALA 11 Cb 0.16 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 24.11 2a55 s ALA 11 CO 0.26 -0.80 -0.11 0.00 0.00 0.00 0.00 175.76 175.12 2a55 s ALA 12 N -3.82 0.91 0.49 0.00 0.00 -1.24 -4.33 121.76 113.77 2a55 s ALA 12 Ca 0.06 -0.47 -0.19 0.00 0.00 0.00 0.00 51.96 51.35 2a55 s ALA 12 Cb -0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 23.12 22.75 2a55 s ALA 12 CO -0.07 0.22 0.23 -2.30 0.00 0.00 0.00 175.76 173.85 2a55 n PRO 13 N 2.82 0.26 0.00 0.00 -0.02 -1.26 -0.27 135.00 136.53 2a55 n PRO 13 Ca -0.14 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2a55 n PRO 13 Cb 0.56 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 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 0.84 2.60 0.00 -0.52 1.56 -1.26 -4.62 117.12 115.72 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 0.45 -0.74 0.00 0.00 2.15 0.00 0.00 33.22 35.07 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 -0.87 0.00 -2.96 6.12 2.03 -1.26 -4.99 116.55 114.62 2a55 n ASP 15 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2a55 n ASP 15 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2a55 n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a55 n ILE 16 N 0.00 -1.31 -1.62 5.18 0.13 -1.26 -4.67 119.36 115.81 2a55 n ILE 16 Ca 0.00 0.18 -0.47 0.00 -1.10 0.00 0.00 62.75 61.37 2a55 n ILE 16 Cb 0.00 -2.55 -0.04 0.00 -0.84 0.00 0.00 39.64 36.21 2a55 n ILE 16 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2a55 n THR 17 N 1.99 0.48 -0.10 9.51 -2.24 -1.26 -4.79 114.28 117.86 2a55 n THR 17 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2a55 n THR 17 Cb 0.18 -2.08 0.00 0.00 -2.10 0.00 0.00 70.33 66.34 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 8.67 4.11 -0.51 3.22 7.99 -1.26 -3.95 117.00 135.27 2a55 n LEU 18 Ca 0.28 -1.88 0.11 0.00 -0.01 0.00 0.00 56.01 54.50 2a55 n LEU 18 Cb 0.34 -0.84 0.41 0.00 -0.11 0.00 0.00 43.42 43.22 2a55 n LEU 18 CO 0.71 0.76 0.79 0.35 -1.51 0.00 0.00 177.39 178.50 2a55 n THR 19 N 1.31 0.17 -3.97 -5.08 -2.24 -1.26 -4.88 114.28 98.33 2a55 n THR 19 Ca 0.00 -0.31 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 2a55 n THR 19 Cb 0.43 0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.83 0.77 -0.00 -0.78 0.41 -1.25 -5.05 118.70 110.96 2a55 s GLU 20 Ca 0.33 -1.10 0.09 0.00 -0.41 0.00 0.00 54.97 53.88 2a55 s GLU 20 Cb 0.18 0.29 -0.11 0.00 -1.78 0.00 0.00 34.13 32.70 2a55 s GLU 20 CO 0.27 -0.21 0.34 2.41 -0.49 0.00 0.00 175.26 177.58 2a55 n THR 21 N -0.00 0.00 -4.41 3.63 -1.04 -1.26 -5.01 114.28 106.18 2a55 n THR 21 Ca -0.14 -0.27 -0.23 0.00 -2.04 0.00 0.00 64.05 61.37 2a55 n THR 21 Cb 0.62 0.84 -0.11 0.00 -1.82 0.00 0.00 70.33 69.86 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 -2.04 1.51 -0.22 -2.82 0.52 -1.26 -3.76 118.95 110.89 2a55 s ARG 22 Ca 0.02 -1.62 -0.04 0.00 -0.52 0.00 0.00 55.73 53.57 2a55 s ARG 22 Cb 0.07 -1.59 0.11 0.00 0.52 0.00 0.00 34.95 34.06 2a55 s ARG 22 CO 0.38 0.31 0.34 -0.06 0.02 0.00 0.00 175.30 176.28 2a55 s PHE 23 N -2.33 -0.67 1.04 -0.53 0.40 -1.26 -5.02 117.98 109.61 2a55 s PHE 23 Ca 0.24 0.78 -0.17 0.00 -0.60 0.00 0.00 56.93 57.18 2a55 s PHE 23 Cb -0.05 -0.04 0.04 0.00 0.51 0.00 0.00 43.02 43.48 2a55 s PHE 23 CO 0.11 -0.64 -0.04 0.36 0.70 0.00 0.00 175.22 175.71 2a55 n LYS 24 N 5.36 -0.89 0.00 0.44 -0.00 -1.26 -3.27 118.16 118.54 2a55 n LYS 24 Ca -0.05 -0.24 0.05 0.00 -0.00 0.00 0.00 58.31 58.08 2a55 n LYS 24 Cb 0.50 -1.65 0.30 0.00 -0.00 0.00 0.00 35.03 34.18 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 25 N -3.92 0.00 0.72 0.58 -2.24 -1.21 -1.48 114.28 106.73 2a55 n THR 25 Ca 0.02 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.88 2a55 n THR 25 Cb 0.60 -0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 67.91 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 -0.58 3.64 3.38 0.00 -1.26 -4.16 105.19 105.86 2a55 n GLY 26 Ca 0.08 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.61 2.05 -0.29 2.61 -1.32 -0.55 -4.94 115.64 110.60 2a55 s THR 27 Ca 0.05 0.02 -0.15 0.00 -1.21 0.00 0.00 61.69 60.40 2a55 s THR 27 Cb 0.12 -2.43 0.12 0.00 -1.51 0.00 0.00 72.50 68.81 2a55 s THR 27 CO 0.68 -0.02 0.80 -0.89 -2.21 0.00 0.00 174.62 172.97 2a55 s THR 28 N -2.87 -0.27 0.00 5.08 2.01 -1.26 -3.79 115.64 114.54 2a55 s THR 28 Ca 0.66 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.66 2a55 s THR 28 Cb -0.20 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.31 2a55 s THR 28 CO 0.59 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.70 2a55 n LEU 29 N 4.47 0.00 0.00 4.42 7.99 -0.18 -4.92 117.00 128.78 2a55 n LEU 29 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.83 2a55 n LEU 29 Cb 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 2a55 n LEU 29 CO -0.02 -0.04 0.00 1.17 -1.51 0.00 0.00 177.39 177.00 2a55 n LYS 30 N -0.07 0.00 -1.38 3.23 3.00 -1.26 -4.39 118.16 117.29 2a55 n LYS 30 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2a55 n LYS 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 -1.92 -3.81 -1.70 5.64 4.01 -1.26 -4.59 117.16 113.53 2a55 n TYR 31 Ca 0.00 2.04 0.00 0.00 -0.16 0.00 0.00 57.90 59.78 2a55 n TYR 31 Cb 0.00 -3.20 0.00 0.00 -0.31 0.00 0.00 39.34 35.83 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 -1.38 0.00 -3.38 -0.72 -2.24 0.62 -4.83 114.28 102.35 2a55 n THR 32 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2a55 n THR 32 Cb 0.13 -0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 67.89 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 5.42 -1.17 -4.59 0.00 4.77 -1.26 -4.68 117.00 115.49 2a55 n LEU 34 Ca -0.05 0.99 -0.56 0.00 -0.03 0.00 0.00 56.01 56.35 2a55 n LEU 34 Cb 0.50 -1.00 -0.08 0.00 -2.33 0.00 0.00 43.42 40.51 2a55 n LEU 34 CO 0.01 -3.18 1.50 -0.81 -1.33 0.00 0.00 177.39 173.58 2a55 n PRO 35 N 0.98 0.96 -0.03 3.23 -0.04 -1.26 -0.94 135.00 137.90 2a55 n PRO 35 Ca 0.14 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2a55 n PRO 35 Cb 0.33 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 5.23 0.97 0.13 0.55 0.00 -1.26 -4.92 105.19 105.89 2a55 n GLY 36 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2a55 n GLY 36 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2a55 n TYR 37 N -2.00 0.00 -1.23 1.61 4.19 -0.12 -4.68 117.16 114.93 2a55 n TYR 37 Ca 0.00 0.00 0.15 0.00 3.31 0.00 0.00 57.90 61.36 2a55 n TYR 37 Cb 0.00 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 39.76 2a55 n TYR 37 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 2a55 n VAL 38 N -1.38 -0.26 -3.59 2.97 0.31 -1.26 0.34 118.33 115.46 2a55 n VAL 38 Ca 0.00 0.54 0.02 0.00 -0.01 0.00 0.00 64.34 64.89 2a55 n VAL 38 Cb 0.55 -0.96 -0.00 0.00 -0.91 0.00 0.00 33.84 32.52 2a55 n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2a55 s ARG 39 N -3.40 0.20 -0.10 5.55 1.70 -1.26 -2.25 118.95 119.39 2a55 s ARG 39 Ca 0.00 -0.11 0.14 0.00 -0.47 0.00 0.00 55.73 55.29 2a55 s ARG 39 Cb 0.00 0.07 0.21 0.00 -0.57 0.00 0.00 34.95 34.66 2a55 s ARG 39 CO 0.00 -0.09 1.10 0.45 -1.08 0.00 0.00 175.30 175.68 2a55 n SER 40 N -0.45 1.81 0.00 -2.89 2.88 -1.26 -4.90 113.62 108.81 2a55 n SER 40 Ca -0.08 -2.79 0.00 0.00 -1.33 0.00 0.00 58.87 54.67 2a55 n SER 40 Cb 0.63 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 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 -1.08 0.00 0.00 0.66 -0.00 -1.26 -4.90 115.22 108.64 2a55 n HIS 41 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 2a55 n HIS 41 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.63 2a55 n HIS 41 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2a55 n SER 42 N 10.33 0.00 -0.20 0.41 7.64 -1.26 -4.40 113.62 126.14 2a55 n SER 42 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2a55 n SER 42 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2a55 n THR 43 N 0.00 0.00 0.00 0.44 -1.04 -1.26 -5.04 114.28 107.38 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 -3.62 -2.82 10.64 -1.26 -3.83 117.38 116.50 2a55 n GLN 44 Ca 0.00 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.02 2a55 n GLN 44 Cb 0.00 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.31 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 0.01 -0.34 -0.39 -4.23 -1.26 -4.82 115.64 104.60 2a55 s THR 45 Ca 0.00 -0.06 -0.07 0.00 -1.18 0.00 0.00 61.69 60.38 2a55 s THR 45 Cb 0.00 -0.89 0.04 0.00 1.34 0.00 0.00 72.50 72.99 2a55 s THR 45 CO 0.00 -0.03 0.12 -0.76 -0.54 0.00 0.00 174.62 173.40 2a55 s LEU 46 N -0.49 4.38 0.11 4.79 1.02 -1.26 -4.67 118.68 122.55 2a55 s LEU 46 Ca -0.06 -1.15 0.08 0.00 0.02 0.00 0.00 54.13 53.02 2a55 s LEU 46 Cb -0.03 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.26 2a55 s LEU 46 CO 0.05 -0.34 -0.15 -0.89 0.02 0.00 0.00 176.35 175.04 2a55 s THR 47 N 1.41 3.02 -0.29 5.49 2.01 -1.24 -1.01 115.64 125.03 2a55 s THR 47 Ca -0.01 -1.40 -0.28 0.00 0.31 0.00 0.00 61.69 60.31 2a55 s THR 47 Cb -0.20 -2.39 0.01 0.00 0.01 0.00 0.00 72.50 69.94 2a55 s THR 47 CO 0.03 0.12 0.99 0.00 -0.69 0.00 0.00 174.62 175.08 2a55 s ASN 49 N 1.52 5.07 -1.28 0.00 2.20 -1.20 -4.15 114.94 117.08 2a55 s ASN 49 Ca 0.42 -0.87 -0.06 0.00 -0.94 0.00 0.00 52.86 51.41 2a55 s ASN 49 Cb -0.13 0.36 0.15 0.00 -2.00 0.00 0.00 41.25 39.63 2a55 s ASN 49 CO 0.12 -1.38 2.22 -0.24 -2.94 0.00 0.00 177.10 174.87 2a55 n SER 50 N -2.27 7.40 0.00 3.54 2.88 -1.26 -3.81 113.62 120.09 2a55 n SER 50 Ca 0.16 -3.19 0.00 0.00 -1.33 0.00 0.00 58.87 54.51 2a55 n SER 50 Cb 0.62 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 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 1.95 0.00 -0.24 -3.46 -0.08 -1.26 -5.00 116.55 108.47 2a55 n ASP 51 Ca 0.56 -1.00 -0.03 0.00 -1.51 0.00 0.00 54.79 52.81 2a55 n ASP 51 Cb 0.27 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.72 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 0.58 3.30 0.27 0.00 -1.25 -4.98 105.19 103.12 2a55 n GLY 52 Ca 0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.51 1.71 -0.35 1.61 -1.05 -1.26 -3.45 118.70 114.40 2a55 s GLU 53 Ca 0.00 -1.94 -0.15 0.00 -0.15 0.00 0.00 54.97 52.73 2a55 s GLU 53 Cb 0.00 0.33 -0.01 0.00 -0.44 0.00 0.00 34.13 34.01 2a55 s GLU 53 CO 0.00 -0.64 0.34 -1.58 0.95 0.00 0.00 175.26 174.33 2a55 s TRP 54 N -3.48 3.21 0.11 4.83 0.52 -1.26 -3.27 118.94 119.61 2a55 s TRP 54 Ca 0.39 -0.09 -0.03 0.00 0.02 0.00 0.00 56.10 56.40 2a55 s TRP 54 Cb 0.03 -2.63 -0.05 0.00 -1.15 0.00 0.00 33.47 29.66 2a55 s TRP 54 CO 0.25 -0.43 0.32 0.08 0.02 0.00 0.00 176.95 177.19 2a55 s VAL 55 N 1.95 5.25 0.00 4.03 1.01 -1.20 -4.97 120.40 126.47 2a55 s VAL 55 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2a55 s VAL 55 Cb -0.17 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2a55 s VAL 55 CO 0.11 0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.28 2a55 n TYR 56 N 0.13 0.00 -2.65 5.22 0.18 -1.26 -3.71 117.16 115.06 2a55 n TYR 56 Ca -0.03 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.53 2a55 n TYR 56 Cb 0.52 0.00 0.05 0.00 -0.38 0.00 0.00 39.34 39.52 2a55 n TYR 56 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 2a55 s ASN 57 N 0.00 5.16 -0.93 9.48 3.84 -1.26 -5.02 114.94 126.22 2a55 s ASN 57 Ca 0.00 -0.09 -0.21 0.00 0.21 0.00 0.00 52.86 52.77 2a55 s ASN 57 Cb 0.00 -0.72 0.10 0.00 -0.55 0.00 0.00 41.25 40.07 2a55 s ASN 57 CO 0.00 -1.23 1.22 -0.89 -2.79 0.00 0.00 177.10 173.41 2a55 s THR 58 N -2.80 4.41 0.54 -5.21 2.01 -1.26 -4.75 115.64 108.58 2a55 s THR 58 Ca 0.58 -1.16 0.28 0.00 0.31 0.00 0.00 61.69 61.70 2a55 s THR 58 Cb -0.10 -4.86 0.33 0.00 0.01 0.00 0.00 72.50 67.88 2a55 s THR 58 CO 0.39 -1.65 2.20 2.19 -0.69 0.00 0.00 174.62 177.06 2a55 h PHE 59 N 9.23 0.00 -3.45 4.92 -5.15 -1.77 -3.41 116.94 117.31 2a55 h PHE 59 Ca 0.12 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.73 2a55 h PHE 59 Cb 1.02 0.00 -0.23 0.00 0.22 0.00 0.00 35.95 36.96 2a55 h PHE 59 CO 1.18 0.04 -0.52 0.00 -2.00 0.00 0.00 178.31 177.02 2a55 n ILE 61 N 2.16 0.54 -1.44 0.00 -5.35 -0.95 -4.93 119.36 109.39 2a55 n ILE 61 Ca -0.18 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 2a55 n ILE 61 Cb 0.57 -1.63 0.00 0.00 -1.74 0.00 0.00 39.64 36.84 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 -3.44 -1.79 -3.15 4.28 4.19 1.03 -4.96 117.16 113.33 2a55 n TYR 62 Ca -0.19 1.07 0.05 0.00 3.31 0.00 0.00 57.90 62.13 2a55 n TYR 62 Cb 0.63 -2.67 -0.01 0.00 0.49 0.00 0.00 39.34 37.78 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 -1.58 0.41 0.03 2.98 -2.85 -1.26 -4.99 119.74 112.47 2a55 s LYS 63 Ca 0.00 0.53 0.00 0.00 -1.00 0.00 0.00 55.97 55.50 2a55 s LYS 63 Cb 0.00 0.27 0.01 0.00 -2.06 0.00 0.00 37.83 36.05 2a55 s LYS 63 CO 0.00 -0.63 0.05 2.89 0.10 0.00 0.00 175.35 177.76 2a55 n ARG 64 N 5.36 0.68 -4.45 1.78 0.00 -1.26 -2.14 116.66 116.63 2a55 n ARG 64 Ca 0.02 -0.14 -0.23 0.00 -0.00 0.00 0.00 57.85 57.51 2a55 n ARG 64 Cb 0.54 -0.03 -0.10 0.00 -0.00 0.00 0.00 32.46 32.87 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a55 s ARG 66 N -3.57 4.47 -0.01 0.00 6.06 -1.26 -4.87 118.95 119.78 2a55 s ARG 66 Ca 0.28 2.03 -0.36 0.00 -2.50 0.00 0.00 55.73 55.19 2a55 s ARG 66 Cb -0.02 -3.13 -0.14 0.00 0.06 0.00 0.00 34.95 31.71 2a55 s ARG 66 CO 0.13 -0.04 1.65 0.72 -2.50 0.00 0.00 175.30 175.26 2a55 n HIS 67 N 1.21 2.10 -0.34 5.12 8.25 -1.26 -4.82 115.22 125.49 2a55 n HIS 67 Ca 0.00 0.30 0.31 0.00 -0.26 0.00 0.00 57.72 58.07 2a55 n HIS 67 Cb 0.43 -2.52 0.65 0.00 1.12 0.00 0.00 29.99 29.67 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2a55 h PRO 68 N 6.89 0.15 0.00 -0.41 0.13 -1.97 -3.47 132.00 133.32 2a55 h PRO 68 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2a55 h PRO 68 Cb 1.29 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2a55 h PRO 68 CO 0.90 0.10 0.00 0.41 -0.23 0.00 0.00 178.00 179.18 2a55 n GLY 69 N -1.64 -1.68 3.73 1.56 0.00 -1.26 -4.43 105.19 101.48 2a55 n GLY 69 Ca 0.27 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.21 4.70 -0.62 1.61 2.56 -1.26 -4.85 118.70 120.62 2a55 s GLU 70 Ca 0.00 1.47 -0.19 0.00 0.00 0.00 0.00 54.97 56.25 2a55 s GLU 70 Cb 0.00 -3.37 0.11 0.00 2.00 0.00 0.00 34.13 32.87 2a55 s GLU 70 CO 0.00 0.22 0.74 -1.17 -0.56 0.00 0.00 175.26 174.49 2a55 s LEU 71 N -0.09 5.41 0.03 2.70 0.20 -1.26 -5.02 118.68 120.66 2a55 s LEU 71 Ca 0.47 -1.51 -0.30 0.00 0.69 0.00 0.00 54.13 53.48 2a55 s LEU 71 Cb -0.24 -2.31 -0.08 0.00 -0.43 0.00 0.00 46.19 43.14 2a55 s LEU 71 CO 0.30 -1.10 1.79 -0.60 -0.29 0.00 0.00 176.35 176.46 2a55 s ARG 72 N 2.61 4.16 -1.13 1.98 3.52 -1.26 -0.76 118.95 128.07 2a55 s ARG 72 Ca 0.13 2.43 -0.04 0.00 -0.13 0.00 0.00 55.73 58.12 2a55 s ARG 72 Cb -0.22 -3.91 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 2a55 s ARG 72 CO 0.05 -0.86 0.97 0.09 -0.81 0.00 0.00 175.30 174.74 2a55 n ASN 73 N 6.74 -4.05 -3.60 -2.12 3.02 -1.26 -4.71 115.26 109.29 2a55 n ASN 73 Ca 0.18 -0.51 -0.00 0.00 -0.03 0.00 0.00 54.58 54.22 2a55 n ASN 73 Cb 0.41 -4.54 0.02 0.00 -0.61 0.00 0.00 39.78 35.05 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 -3.72 -0.01 -0.02 7.41 0.00 0.06 -2.75 107.32 108.29 2a55 s GLY 74 Ca 0.27 -0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.85 2a55 s GLY 74 CO 0.64 4.12 -0.05 1.62 0.00 0.00 0.00 173.10 179.44 2a55 s GLN 75 N -2.08 0.58 -0.35 2.90 2.00 0.26 -4.47 119.66 118.50 2a55 s GLN 75 Ca 0.26 -0.13 -0.08 0.00 -2.00 0.00 0.00 55.36 53.40 2a55 s GLN 75 Cb -0.02 -0.60 0.03 0.00 0.80 0.00 0.00 33.01 33.23 2a55 s GLN 75 CO 0.02 0.02 0.15 0.54 -0.50 0.00 0.00 175.29 175.52 2a55 s VAL 76 N 0.40 4.13 -0.45 1.34 0.11 -1.26 -0.23 120.40 124.43 2a55 s VAL 76 Ca -0.05 -1.01 -0.27 0.00 -2.93 0.00 0.00 61.98 57.72 2a55 s VAL 76 Cb -0.08 -3.32 -0.04 0.00 -1.53 0.00 0.00 36.38 31.41 2a55 s VAL 76 CO -0.00 -0.20 2.04 -0.70 -3.33 0.00 0.00 175.10 172.91 2a55 s GLU 77 N 1.47 2.74 -0.03 1.54 2.56 0.50 -4.95 118.70 122.53 2a55 s GLU 77 Ca -0.00 1.24 0.04 0.00 0.00 0.00 0.00 54.97 56.24 2a55 s GLU 77 Cb -0.19 -4.39 -0.00 0.00 2.00 0.00 0.00 34.13 31.55 2a55 s GLU 77 CO 0.04 -2.57 -0.14 0.42 -0.56 0.00 0.00 175.26 172.46 2a55 s ILE 78 N 9.25 1.14 0.00 -3.70 -1.09 -1.26 -4.13 121.20 121.41 2a55 s ILE 78 Ca 0.83 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 2a55 s ILE 78 Cb -0.19 -0.99 0.00 0.00 -1.58 0.00 0.00 42.46 39.70 2a55 s ILE 78 CO 0.28 0.34 0.00 2.29 -1.23 0.00 0.00 174.94 176.61 2a55 n LYS 79 N 3.18 0.00 0.00 2.79 0.00 -1.26 -4.92 118.16 117.95 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 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.57 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 -1.49 0.00 -0.88 0.58 -2.24 -1.26 -4.80 114.28 104.19 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 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 -0.21 -4.19 -2.60 3.42 8.00 -1.26 -2.51 116.55 117.20 2a55 n ASP 81 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2a55 n ASP 81 Cb 0.14 -2.96 0.05 0.00 -0.02 0.00 0.00 41.12 38.33 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2a55 n LEU 82 N 0.00 -4.11 -4.70 0.64 4.32 -1.26 -4.58 117.00 107.31 2a55 n LEU 82 Ca 0.00 -0.44 -0.40 0.00 -0.02 0.00 0.00 56.01 55.15 2a55 n LEU 82 Cb 0.33 -2.22 -0.04 0.00 -1.62 0.00 0.00 43.42 39.87 2a55 n LEU 82 CO 0.00 0.10 0.47 -0.44 -1.22 0.00 0.00 177.39 176.30 2a55 s SER 83 N -3.38 6.98 0.06 -1.43 0.01 -1.04 -1.48 113.70 113.41 2a55 s SER 83 Ca 0.23 1.19 -0.21 0.00 1.31 0.00 0.00 55.95 58.47 2a55 s SER 83 Cb -0.03 -2.43 -0.11 0.00 0.21 0.00 0.00 66.02 63.66 2a55 s SER 83 CO 0.47 -0.21 0.50 0.33 0.41 0.00 0.00 173.24 174.74 2a55 n PHE 84 N 4.27 0.07 -1.18 2.43 7.35 -0.91 -2.12 117.46 127.38 2a55 n PHE 84 Ca 0.01 0.63 0.00 0.00 -0.76 0.00 0.00 57.45 57.32 2a55 n PHE 84 Cb 0.50 -1.25 0.00 0.00 0.35 0.00 0.00 39.48 39.09 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 1.06 0.77 3.28 7.13 0.00 -0.61 -4.85 105.19 111.97 2a55 n GLY 85 Ca 0.12 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.70 2.29 -0.08 1.61 1.04 -0.90 -4.93 113.70 110.04 2a55 s SER 86 Ca 0.00 -0.84 0.03 0.00 0.48 0.00 0.00 55.95 55.62 2a55 s SER 86 Cb 0.00 -0.11 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 2a55 s SER 86 CO 0.00 -0.10 -0.16 -1.58 0.98 0.00 0.00 173.24 172.38 2a55 s GLN 87 N -2.74 2.79 -0.23 4.02 -0.44 -1.26 -1.90 119.66 119.91 2a55 s GLN 87 Ca 0.12 -0.73 0.01 0.00 -2.50 0.00 0.00 55.36 52.26 2a55 s GLN 87 Cb -0.05 -2.42 0.06 0.00 -1.64 0.00 0.00 33.01 28.96 2a55 s GLN 87 CO 0.04 0.45 -0.06 0.96 0.50 0.00 0.00 175.29 177.19 2a55 s ILE 88 N -0.29 1.52 0.97 -2.34 -4.36 -0.20 -4.90 121.20 111.60 2a55 s ILE 88 Ca 0.02 -1.16 -0.17 0.00 -0.26 0.00 0.00 60.65 59.08 2a55 s ILE 88 Cb -0.13 -1.76 0.23 0.00 1.25 0.00 0.00 42.46 42.05 2a55 s ILE 88 CO 0.03 -0.06 1.25 -0.62 0.24 0.00 0.00 174.94 175.78 2a55 n GLU 89 N 4.68 -1.49 -3.66 0.37 1.02 -1.25 -2.63 120.64 117.68 2a55 n GLU 89 Ca -0.12 -1.94 -0.14 0.00 -0.02 0.00 0.00 57.16 54.93 2a55 n GLU 89 Cb 0.44 -1.35 -0.06 0.00 -0.02 0.00 0.00 31.44 30.46 2a55 n GLU 89 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2a55 n PHE 90 N -3.90 -0.65 -3.36 -0.32 3.72 -1.11 -0.37 117.46 111.46 2a55 n PHE 90 Ca 0.16 -2.09 0.02 0.00 -0.05 0.00 0.00 57.45 55.49 2a55 n PHE 90 Cb 0.56 0.24 -0.02 0.00 -0.94 0.00 0.00 39.48 39.31 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2a55 s SER 91 N -2.74 -1.24 -0.22 4.37 0.01 0.68 -4.89 113.70 109.67 2a55 s SER 91 Ca 0.29 1.14 -0.19 0.00 1.31 0.00 0.00 55.95 58.50 2a55 s SER 91 Cb 0.01 2.18 -0.03 0.00 0.21 0.00 0.00 66.02 68.40 2a55 s SER 91 CO 0.21 -0.23 0.57 0.00 0.41 0.00 0.00 173.24 174.20 2a55 n SER 93 N 5.12 -4.59 0.00 0.00 7.64 -1.11 -4.62 113.62 116.05 2a55 n SER 93 Ca -0.03 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2a55 n SER 93 Cb 0.50 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2a55 n GLU 94 N 1.88 0.00 0.28 1.43 2.13 -1.26 -0.90 120.64 124.20 2a55 n GLU 94 Ca -0.01 0.28 0.18 0.00 0.66 0.00 0.00 57.16 58.26 2a55 n GLU 94 Cb 0.62 -0.45 0.74 0.00 0.27 0.00 0.00 31.44 32.62 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 -4.99 8.31 0.00 -1.97 -3.43 103.07 100.99 2a55 h GLY 95 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 2a55 h GLY 95 CO 0.00 0.00 -0.72 -1.36 0.00 0.00 0.00 176.54 174.46 2a55 s PHE 96 N -3.71 2.85 0.34 5.60 0.08 -0.08 -0.51 117.98 122.56 2a55 s PHE 96 Ca 0.01 -0.04 0.07 0.00 0.12 0.00 0.00 56.93 57.08 2a55 s PHE 96 Cb 0.09 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 2a55 s PHE 96 CO 0.52 0.29 0.40 -0.59 -0.10 0.00 0.00 175.22 175.75 2a55 s PHE 97 N -0.81 3.00 0.13 0.36 -0.71 -0.76 -3.59 117.98 115.59 2a55 s PHE 97 Ca 0.13 -0.27 -0.27 0.00 -1.04 0.00 0.00 56.93 55.48 2a55 s PHE 97 Cb -0.11 -1.94 -0.07 0.00 -1.21 0.00 0.00 43.02 39.69 2a55 s PHE 97 CO 0.02 0.05 0.82 -1.17 -1.34 0.00 0.00 175.22 173.60 2a55 s LEU 98 N -4.11 4.55 -0.37 -1.99 1.98 -1.26 -3.61 118.68 113.86 2a55 s LEU 98 Ca 0.44 1.65 0.06 0.00 -2.89 0.00 0.00 54.13 53.39 2a55 s LEU 98 Cb -0.08 -3.36 0.18 0.00 0.66 0.00 0.00 46.19 43.59 2a55 s LEU 98 CO 0.29 0.10 0.56 -0.63 -1.89 0.00 0.00 176.35 174.78 2a55 s ILE 99 N -0.66 -0.84 0.00 6.68 1.01 -1.05 -4.95 121.20 121.39 2a55 s ILE 99 Ca 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2a55 s ILE 99 Cb -0.23 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 41.84 2a55 s ILE 99 CO 0.27 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 2a55 n GLY 100 N 4.66 0.00 2.15 6.18 0.00 -1.26 -0.00 105.19 116.92 2a55 n GLY 100 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.41 0.00 1.61 2.88 -1.26 -4.47 113.62 107.97 2a55 n SER 101 Ca 0.00 1.22 0.04 0.00 -1.33 0.00 0.00 58.87 58.80 2a55 n SER 101 Cb 0.00 -4.19 0.22 0.00 -0.75 0.00 0.00 64.21 59.50 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 1.33 0.72 -4.42 2.46 -2.24 -1.26 -4.63 114.28 106.25 2a55 n THR 102 Ca -0.15 0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.55 2a55 n THR 102 Cb 0.24 -1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 67.32 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a55 s THR 103 N -2.50 2.58 -0.19 4.28 -4.23 -1.26 -2.76 115.64 111.57 2a55 s THR 103 Ca 0.09 -2.12 -0.04 0.00 -1.18 0.00 0.00 61.69 58.43 2a55 s THR 103 Cb 0.06 -2.30 0.09 0.00 1.34 0.00 0.00 72.50 71.69 2a55 s THR 103 CO 0.13 -0.24 0.30 -0.44 -0.54 0.00 0.00 174.62 173.83 2a55 s SER 104 N -3.09 0.52 0.07 3.99 0.01 -1.08 -4.92 113.70 109.20 2a55 s SER 104 Ca 0.26 0.32 0.01 0.00 1.31 0.00 0.00 55.95 57.84 2a55 s SER 104 Cb -0.07 0.81 -0.04 0.00 0.21 0.00 0.00 66.02 66.93 2a55 s SER 104 CO 0.13 -0.28 0.21 -0.13 0.41 0.00 0.00 173.24 173.58 2a55 s ARG 105 N 2.45 3.39 -0.26 12.44 0.52 -1.26 -1.03 118.95 135.21 2a55 s ARG 105 Ca 0.06 -0.48 -0.09 0.00 -0.52 0.00 0.00 55.73 54.70 2a55 s ARG 105 Cb -0.14 -3.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.29 2a55 s ARG 105 CO -0.12 0.60 0.12 0.00 0.02 0.00 0.00 175.30 175.92 2a55 n GLU 107 N 4.95 1.44 -4.27 0.00 4.07 -0.56 -1.58 120.64 124.69 2a55 n GLU 107 Ca -0.15 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.75 2a55 n GLU 107 Cb 0.52 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.74 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 -1.08 0.63 0.00 6.31 1.01 -1.26 0.16 120.40 126.17 2a55 s VAL 108 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2a55 s VAL 108 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2a55 s VAL 108 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.32 2a55 n GLN 109 N 3.58 0.00 0.00 2.72 10.64 -1.26 -4.55 117.38 128.51 2a55 n GLN 109 Ca -0.21 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.96 2a55 n GLN 109 Cb 0.53 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.91 2a55 n GLN 109 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2a55 n ASP 110 N 0.00 0.00 -2.56 2.61 2.03 -1.26 -4.80 116.55 112.57 2a55 n ASP 110 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 2a55 n ASP 110 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2a55 n ARG 111 N 0.00 2.47 -0.09 -0.67 1.85 -1.26 -4.60 116.66 114.36 2a55 n ARG 111 Ca 0.00 -2.70 0.00 0.00 -1.00 0.00 0.00 57.85 54.15 2a55 n ARG 111 Cb 0.00 -2.15 0.00 0.00 -1.05 0.00 0.00 32.46 29.26 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 0.28 0.75 3.64 2.89 0.00 -1.26 -4.99 105.19 106.51 2a55 n GLY 112 Ca 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.47 2a55 n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a55 s VAL 113 N -2.36 0.00 0.10 1.61 0.11 -1.26 -4.78 120.40 113.81 2a55 s VAL 113 Ca 0.00 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.14 2a55 s VAL 113 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2a55 s VAL 113 CO 0.00 0.00 -0.22 -0.83 -3.33 0.00 0.00 175.10 170.72 2a55 s GLY 114 N 0.38 1.60 -0.20 6.54 0.00 0.43 -4.26 107.32 111.81 2a55 s GLY 114 Ca 0.02 -1.35 -0.17 0.00 0.00 0.00 0.00 44.72 43.22 2a55 s GLY 114 CO -0.12 -1.30 0.46 0.86 0.00 0.00 0.00 173.10 173.01 2a55 s TRP 115 N -1.04 3.37 0.18 1.90 -0.00 -1.26 -1.49 118.94 120.59 2a55 s TRP 115 Ca 0.15 0.69 -0.10 0.00 -0.00 0.00 0.00 56.10 56.85 2a55 s TRP 115 Cb -0.10 -2.61 0.08 0.00 -0.00 0.00 0.00 33.47 30.84 2a55 s TRP 115 CO 0.07 -0.07 1.67 0.77 -0.00 0.00 0.00 176.95 179.39 2a55 h SER 116 N 7.46 1.00 -2.75 5.86 0.02 -1.88 -3.46 113.55 119.80 2a55 h SER 116 Ca -0.34 -0.26 0.11 0.00 -0.84 0.00 0.00 61.79 60.45 2a55 h SER 116 Cb 1.16 -0.27 -0.28 0.00 0.14 0.00 0.00 62.40 63.15 2a55 h SER 116 CO 0.73 1.01 0.55 -2.28 -1.14 0.00 0.00 176.83 175.70 2a55 s HIS 117 N -5.20 -0.38 0.00 3.45 5.65 -1.26 -5.00 115.29 112.55 2a55 s HIS 117 Ca -0.12 0.86 0.00 0.00 0.25 0.00 0.00 55.06 56.05 2a55 s HIS 117 Cb 0.14 0.37 0.00 0.00 -1.18 0.00 0.00 32.58 31.90 2a55 s HIS 117 CO 0.84 -0.18 0.00 -0.35 -0.65 0.00 0.00 174.74 174.40 2a55 n PRO 118 N 2.44 1.79 -1.71 2.88 -0.04 -1.26 -4.75 135.00 134.35 2a55 n PRO 118 Ca -0.14 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.92 2a55 n PRO 118 Cb 0.56 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.04 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 4.27 0.00 1.53 7.99 -1.26 -5.01 117.00 124.52 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 -1.52 0.00 0.00 -0.11 0.00 0.00 43.42 41.79 2a55 n LEU 119 CO 0.00 -0.62 0.00 -0.81 -1.51 0.00 0.00 177.39 174.45 2a55 n PRO 120 N -0.10 3.34 -3.74 3.23 -0.04 -1.26 -5.01 135.00 131.42 2a55 n PRO 120 Ca 0.07 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.27 2a55 n PRO 120 Cb 0.40 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.69 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2a55 s GLN 121 N 2.37 0.59 -0.42 0.54 0.74 1.00 -4.91 119.66 119.56 2a55 s GLN 121 Ca 0.00 -0.18 -0.13 0.00 0.05 0.00 0.00 55.36 55.10 2a55 s GLN 121 Cb 0.00 -1.63 0.05 0.00 1.10 0.00 0.00 33.01 32.53 2a55 s GLN 121 CO 0.00 -0.51 0.30 0.00 -0.55 0.00 0.00 175.29 174.54 2a55 s GLU 123 N 1.60 1.36 0.64 0.00 0.41 -1.24 -4.96 118.70 116.52 2a55 s GLU 123 Ca 0.04 -0.86 -0.15 0.00 -0.41 0.00 0.00 54.97 53.58 2a55 s GLU 123 Cb -0.21 -1.42 -0.01 0.00 -1.78 0.00 0.00 34.13 30.70 2a55 s GLU 123 CO 0.07 0.37 1.11 -1.50 -0.49 0.00 0.00 175.26 174.82 2a55 s ILE 124 N -0.73 3.25 -2.01 -1.63 2.07 -1.26 -1.83 121.20 119.07 2a55 s ILE 124 Ca 0.07 0.60 0.04 0.00 -1.41 0.00 0.00 60.65 59.95 2a55 s ILE 124 Cb -0.08 -3.13 0.11 0.00 0.13 0.00 0.00 42.46 39.48 2a55 s ILE 124 CO 0.01 -0.34 1.13 0.18 -1.91 0.00 0.00 174.94 174.01 2a55 n LEU 125 N -2.29 0.24 0.00 8.50 4.77 0.33 -4.60 117.00 123.96 2a55 n LEU 125 Ca 0.10 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2a55 n LEU 125 Cb 0.52 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2a55 n LEU 125 CO 0.47 0.06 0.00 -0.62 -1.33 0.00 0.00 177.39 175.97 2a55 n GLU 126 N -0.40 0.00 -3.69 3.23 1.02 -1.26 -5.14 120.64 114.39 2a55 n GLU 126 Ca 0.03 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.03 2a55 n GLU 126 Cb 0.05 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.39 2a55 n GLU 126 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2a55 s HIS 127 N 0.00 -0.36 -0.11 -0.32 5.65 -1.26 -5.17 115.29 113.72 2a55 s HIS 127 Ca 0.00 0.65 -0.09 0.00 0.25 0.00 0.00 55.06 55.87 2a55 s HIS 127 Cb 0.00 0.19 0.03 0.00 -1.18 0.00 0.00 32.58 31.62 2a55 s HIS 127 CO 0.00 -0.42 0.28 -1.58 -0.65 0.00 0.00 174.74 172.37 2a55 s HIS 128 N -1.03 -0.32 0.04 3.88 2.46 -1.26 -4.93 115.29 114.13 2a55 s HIS 128 Ca -0.11 0.78 -0.17 0.00 0.47 0.00 0.00 55.06 56.04 2a55 s HIS 128 Cb -0.04 0.10 -0.06 0.00 -0.13 0.00 0.00 32.58 32.46 2a55 s HIS 128 CO 0.05 -0.17 0.48 -1.58 -2.47 0.00 0.00 174.74 171.05 2a55 s HIS 129 N 0.37 3.76 0.12 3.88 2.46 -1.26 -5.06 115.29 119.57 2a55 s HIS 129 Ca -0.02 1.12 -0.30 0.00 0.47 0.00 0.00 55.06 56.33 2a55 s HIS 129 Cb -0.04 -2.38 -0.06 0.00 -0.13 0.00 0.00 32.58 29.97 2a55 s HIS 129 CO -0.02 0.62 1.00 -1.58 -2.47 0.00 0.00 174.74 172.29 2a55 s HIS 130 N -1.10 3.75 -0.14 3.88 2.46 -1.26 -5.04 115.29 117.83 2a55 s HIS 130 Ca 0.26 1.73 -0.05 0.00 0.47 0.00 0.00 55.06 57.47 2a55 s HIS 130 Cb -0.18 -3.12 -0.04 0.00 -0.13 0.00 0.00 32.58 29.11 2a55 s HIS 130 CO 0.16 -0.04 0.05 -1.01 -2.47 0.00 0.00 174.74 171.43 2a55 s HIS 131 N 0.00 3.28 -2.19 3.88 3.76 -1.26 -5.38 115.29 117.38 2a55 s HIS 131 Ca 0.48 0.19 0.18 0.00 -0.15 0.00 0.00 55.06 55.76 2a55 s HIS 131 Cb -0.25 -1.95 0.14 0.00 1.11 0.00 0.00 32.58 31.63 2a55 s HIS 131 CO 0.31 0.37 1.06 1.58 -0.85 0.00 0.00 174.74 177.21