#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 5.24 0.77 3.17 -0.87 -1.26 -4.33 114.94 117.66 2a55 s ASN 1 Ca 0.00 1.11 -0.06 0.00 -1.57 0.00 0.00 52.86 52.34 2a55 s ASN 1 Cb 0.00 -1.87 0.12 0.00 -0.02 0.00 0.00 41.25 39.48 2a55 s ASN 1 CO 0.00 -1.47 1.07 0.00 -2.57 0.00 0.00 177.10 174.13 2a55 s GLY 3 N -4.71 1.55 -0.02 0.00 0.00 -1.24 -3.79 107.32 99.11 2a55 s GLY 3 Ca 0.66 -0.40 -0.40 0.00 0.00 0.00 0.00 44.72 44.58 2a55 s GLY 3 CO 0.46 -0.20 1.20 -1.05 0.00 0.00 0.00 173.10 173.51 2a55 n PRO 4 N -2.41 0.37 -1.67 2.90 -0.02 -1.23 -4.80 135.00 128.14 2a55 n PRO 4 Ca 0.02 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 2a55 n PRO 4 Cb 0.55 -1.68 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 2a55 n PRO 4 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2a55 n PRO 5 N 2.08 2.83 -0.36 0.52 -0.04 -1.26 -4.97 135.00 133.80 2a55 n PRO 5 Ca 0.20 1.04 -0.24 0.00 -0.04 0.00 0.00 63.50 64.47 2a55 n PRO 5 Cb 0.10 -2.98 0.22 0.00 -0.04 0.00 0.00 33.50 30.81 2a55 n PRO 5 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2a55 n PRO 6 N 7.22 -3.67 -3.51 0.54 -0.04 -1.26 -4.97 135.00 129.30 2a55 n PRO 6 Ca 0.20 -1.09 -0.37 0.00 -0.04 0.00 0.00 63.50 62.20 2a55 n PRO 6 Cb 0.40 -1.71 -0.07 0.00 -0.04 0.00 0.00 33.50 32.08 2a55 n PRO 6 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2a55 s THR 7 N -2.09 5.29 -0.36 0.52 2.01 -1.26 -5.06 115.64 114.69 2a55 s THR 7 Ca 0.52 0.57 -0.08 0.00 0.31 0.00 0.00 61.69 63.01 2a55 s THR 7 Cb -0.09 -3.65 0.04 0.00 0.01 0.00 0.00 72.50 68.81 2a55 s THR 7 CO 0.44 0.37 0.16 -0.76 -0.69 0.00 0.00 174.62 174.14 2a55 s LEU 8 N 0.58 4.58 0.35 4.42 1.02 -1.26 -4.93 118.68 123.44 2a55 s LEU 8 Ca 0.17 -1.18 0.26 0.00 0.02 0.00 0.00 54.13 53.40 2a55 s LEU 8 Cb -0.13 -1.93 1.19 0.00 0.02 0.00 0.00 46.19 45.34 2a55 s LEU 8 CO 0.04 -0.38 1.79 0.77 0.02 0.00 0.00 176.35 178.59 2a55 h SER 9 N 8.30 0.00 0.15 2.29 4.64 -2.01 -0.50 113.55 126.43 2a55 h SER 9 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2a55 h SER 9 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2a55 h SER 9 CO 0.65 0.00 -0.29 2.22 -0.87 0.00 0.00 176.83 178.53 2a55 n PHE 10 N -2.44 0.00 -3.32 4.77 -1.74 -1.26 -4.90 117.46 108.57 2a55 n PHE 10 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.90 2a55 n PHE 10 Cb 0.19 -0.08 0.00 0.00 1.52 0.00 0.00 39.48 41.10 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a55 n ALA 11 N -0.40 0.00 -3.62 1.98 0.00 -0.20 -4.04 120.51 114.23 2a55 n ALA 11 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.45 2a55 n ALA 11 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.67 -1.92 0.41 0.00 0.00 0.12 -4.63 121.76 114.07 2a55 s ALA 12 Ca 0.00 1.84 -0.23 0.00 0.00 0.00 0.00 51.96 53.56 2a55 s ALA 12 Cb 0.00 -1.22 -0.12 0.00 0.00 0.00 0.00 23.12 21.78 2a55 s ALA 12 CO 0.00 -0.27 0.68 -2.30 0.00 0.00 0.00 175.76 173.87 2a55 n PRO 13 N 2.03 0.76 0.00 0.00 -0.02 -1.26 -0.64 135.00 135.87 2a55 n PRO 13 Ca -0.13 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2a55 n PRO 13 Cb 0.56 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 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 0.49 0.54 -0.02 -0.52 1.56 -1.26 -4.67 117.12 113.24 2a55 n MET 14 Ca 0.11 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.54 2a55 n MET 14 Cb 0.38 -0.58 0.00 0.00 2.15 0.00 0.00 33.22 35.17 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 -0.90 0.00 0.28 6.12 2.03 -1.26 -4.92 116.55 117.90 2a55 n ASP 15 Ca 0.00 -0.88 0.18 0.00 0.52 0.00 0.00 54.79 54.61 2a55 n ASP 15 Cb 0.08 0.00 0.74 0.00 -0.72 0.00 0.00 41.12 41.22 2a55 n ASP 15 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2a55 h ILE 16 N 2.74 0.00 -5.06 5.18 3.07 -1.92 -3.47 117.51 118.05 2a55 h ILE 16 Ca 0.00 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 65.98 2a55 h ILE 16 Cb 0.88 1.41 -0.04 0.00 -0.27 0.00 0.00 36.82 38.80 2a55 h ILE 16 CO 0.00 0.00 -0.66 0.35 -1.05 0.00 0.00 178.15 176.79 2a55 n THR 17 N -3.03 -6.75 -0.62 0.16 -2.24 -1.26 -4.68 114.28 95.86 2a55 n THR 17 Ca 0.00 1.46 -0.05 0.00 -2.27 0.00 0.00 64.05 63.20 2a55 n THR 17 Cb 0.27 -4.17 -0.07 0.00 -2.10 0.00 0.00 70.33 64.27 2a55 n THR 17 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2a55 n LEU 18 N 2.05 4.51 -0.00 3.22 7.99 -1.26 -3.70 117.00 129.82 2a55 n LEU 18 Ca -0.12 -2.38 0.09 0.00 -0.01 0.00 0.00 56.01 53.59 2a55 n LEU 18 Cb 0.19 -1.07 -0.12 0.00 -0.11 0.00 0.00 43.42 42.30 2a55 n LEU 18 CO 0.11 1.09 -0.18 0.35 -1.51 0.00 0.00 177.39 177.25 2a55 n THR 19 N 2.03 0.00 -3.23 -5.08 -2.24 -1.26 -4.98 114.28 99.52 2a55 n THR 19 Ca 0.17 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2a55 n THR 19 Cb 0.59 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 2a55 n THR 19 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a55 n GLU 20 N -1.61 1.33 0.00 -0.78 1.02 -1.24 -5.08 120.64 114.28 2a55 n GLU 20 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2a55 n GLU 20 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 2a55 n GLU 20 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2a55 n THR 21 N -0.71 0.00 -4.37 2.62 -2.24 -1.26 -5.10 114.28 103.21 2a55 n THR 21 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 2a55 n THR 21 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2a55 s ARG 22 N -1.00 1.31 -0.07 -0.78 0.52 -1.26 -3.55 118.95 114.11 2a55 s ARG 22 Ca 0.00 -1.26 -0.03 0.00 -0.52 0.00 0.00 55.73 53.92 2a55 s ARG 22 Cb 0.00 -1.70 0.04 0.00 0.52 0.00 0.00 34.95 33.80 2a55 s ARG 22 CO 0.00 0.40 0.06 -0.06 0.02 0.00 0.00 175.30 175.72 2a55 s PHE 23 N -1.09 0.19 1.18 -0.53 0.40 -1.25 -4.95 117.98 111.94 2a55 s PHE 23 Ca 0.11 0.06 -0.13 0.00 -0.60 0.00 0.00 56.93 56.37 2a55 s PHE 23 Cb -0.10 -0.58 0.29 0.00 0.51 0.00 0.00 43.02 43.15 2a55 s PHE 23 CO 0.05 -0.28 1.02 -1.59 0.70 0.00 0.00 175.22 175.12 2a55 s LYS 24 N 2.13 -1.07 0.08 0.44 -2.85 -1.26 -0.98 119.74 116.23 2a55 s LYS 24 Ca 0.04 0.90 0.14 0.00 -1.00 0.00 0.00 55.97 56.05 2a55 s LYS 24 Cb -0.13 -1.53 0.61 0.00 -2.06 0.00 0.00 37.83 34.72 2a55 s LYS 24 CO -0.05 -3.84 1.43 0.25 0.10 0.00 0.00 175.35 173.24 2a55 n THR 25 N -5.01 1.19 -0.98 3.79 -2.24 -1.26 -1.57 114.28 108.21 2a55 n THR 25 Ca 0.03 0.35 0.06 0.00 -2.27 0.00 0.00 64.05 62.22 2a55 n THR 25 Cb 0.54 -1.21 0.33 0.00 -2.10 0.00 0.00 70.33 67.89 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 -0.46 3.56 3.97 3.38 0.00 -1.26 -4.12 105.19 110.26 2a55 n GLY 26 Ca 0.02 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.84 5.25 -0.25 2.61 -1.32 -0.61 -5.04 115.64 113.44 2a55 s THR 27 Ca 0.49 -0.93 -0.10 0.00 -1.21 0.00 0.00 61.69 59.94 2a55 s THR 27 Cb 0.39 -3.85 0.10 0.00 -1.51 0.00 0.00 72.50 67.63 2a55 s THR 27 CO 0.12 -0.33 0.56 -0.89 -2.21 0.00 0.00 174.62 171.87 2a55 s THR 28 N -1.99 -0.60 0.00 5.08 2.01 -1.26 -3.87 115.64 115.01 2a55 s THR 28 Ca 0.34 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.40 2a55 s THR 28 Cb -0.09 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.56 2a55 s THR 28 CO 0.29 0.03 0.00 0.18 -0.69 0.00 0.00 174.62 174.43 2a55 n LEU 29 N 5.08 0.00 0.00 4.42 4.32 -1.08 -4.98 117.00 124.76 2a55 n LEU 29 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 2a55 n LEU 29 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 2a55 n LEU 29 CO -0.01 0.00 0.00 1.17 -1.22 0.00 0.00 177.39 177.33 2a55 n LYS 30 N 0.00 0.00 -1.38 3.23 3.00 -1.26 -4.73 118.16 117.02 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 -0.97 -3.74 -4.32 5.64 4.01 -1.26 -1.67 117.16 114.86 2a55 n TYR 31 Ca 0.00 1.98 -0.24 0.00 -0.16 0.00 0.00 57.90 59.47 2a55 n TYR 31 Cb 0.00 -3.16 -0.12 0.00 -0.31 0.00 0.00 39.34 35.75 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 -2.74 1.85 -0.21 -0.72 -1.32 0.19 -4.53 115.64 108.15 2a55 s THR 32 Ca 0.00 -1.67 -0.16 0.00 -1.21 0.00 0.00 61.69 58.65 2a55 s THR 32 Cb 0.00 -1.70 -0.04 0.00 -1.51 0.00 0.00 72.50 69.25 2a55 s THR 32 CO 0.00 -0.08 0.41 0.00 -2.21 0.00 0.00 174.62 172.74 2a55 n LEU 34 N 4.68 -2.87 -4.60 0.00 4.77 -1.26 -4.79 117.00 112.94 2a55 n LEU 34 Ca -0.08 -0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.44 2a55 n LEU 34 Cb 0.51 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2a55 n LEU 34 CO 0.40 -2.77 1.34 -2.16 -1.33 0.00 0.00 177.39 172.87 2a55 s PRO 35 N -2.44 3.45 0.00 3.23 0.04 -1.26 -3.76 135.00 134.26 2a55 s PRO 35 Ca 0.42 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2a55 s PRO 35 Cb 0.03 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2a55 s PRO 35 CO 0.66 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 176.39 2a55 n GLY 36 N 5.22 0.29 3.85 0.56 0.00 -1.26 -5.10 105.19 108.75 2a55 n GLY 36 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2a55 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a55 s TYR 37 N 0.00 3.44 0.00 1.61 1.51 -1.25 -2.20 117.35 120.46 2a55 s TYR 37 Ca 0.00 1.12 0.00 0.00 -1.01 0.00 0.00 57.07 57.18 2a55 s TYR 37 Cb 0.00 -2.45 0.00 0.00 -0.11 0.00 0.00 41.96 39.40 2a55 s TYR 37 CO 0.00 0.20 0.00 1.33 -1.11 0.00 0.00 175.55 175.97 2a55 n VAL 38 N -0.07 0.00 -0.93 0.71 0.24 -1.26 -4.85 118.33 112.16 2a55 n VAL 38 Ca 0.01 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.13 2a55 n VAL 38 Cb 0.53 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.77 2a55 n VAL 38 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2a55 n ARG 39 N 0.00 0.00 0.00 7.34 5.12 -1.26 -3.96 116.66 123.90 2a55 n ARG 39 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2a55 n ARG 39 Cb 0.00 -0.75 0.00 0.00 -1.16 0.00 0.00 32.46 30.55 2a55 n ARG 39 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2a55 n SER 40 N 4.71 0.00 -4.70 0.55 2.88 -1.26 -4.52 113.62 111.27 2a55 n SER 40 Ca 0.42 -0.05 -0.43 0.00 -1.33 0.00 0.00 58.87 57.48 2a55 n SER 40 Cb 0.06 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 2a55 n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a55 n HIS 41 N 0.00 2.60 -0.27 0.66 1.44 -1.22 -3.91 115.22 114.52 2a55 n HIS 41 Ca 0.00 0.14 0.00 0.00 -2.01 0.00 0.00 57.72 55.85 2a55 n HIS 41 Cb 0.01 -2.62 0.00 0.00 0.12 0.00 0.00 29.99 27.50 2a55 n HIS 41 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2a55 n SER 42 N 3.55 0.00 -3.45 4.39 2.88 -1.26 -5.07 113.62 114.66 2a55 n SER 42 Ca 0.15 -0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.57 2a55 n SER 42 Cb 0.33 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.77 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 0.00 0.00 -0.44 2.46 2.01 -1.26 -5.07 115.64 113.35 2a55 s THR 43 Ca 0.00 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 2a55 s THR 43 Cb 0.00 -1.00 0.34 0.00 0.01 0.00 0.00 72.50 71.85 2a55 s THR 43 CO 0.00 0.00 1.12 1.67 -0.69 0.00 0.00 174.62 176.72 2a55 n GLN 44 N -0.22 1.05 0.00 4.92 7.27 -1.26 -4.78 117.38 124.36 2a55 n GLN 44 Ca -0.15 -2.10 0.00 0.00 0.07 0.00 0.00 57.00 54.82 2a55 n GLN 44 Cb 0.63 -0.93 0.00 0.00 2.41 0.00 0.00 30.24 32.36 2a55 n GLN 44 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2a55 n THR 45 N 0.16 0.00 -4.16 1.69 5.66 -0.67 -4.29 114.28 112.66 2a55 n THR 45 Ca 0.06 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.77 2a55 n THR 45 Cb 0.73 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.42 2a55 n THR 45 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2a55 s LEU 46 N 0.00 3.33 0.14 1.09 1.43 -1.26 -4.84 118.68 118.57 2a55 s LEU 46 Ca 0.00 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.91 2a55 s LEU 46 Cb 0.00 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2a55 s LEU 46 CO 0.00 0.17 -0.17 -0.89 0.23 0.00 0.00 176.35 175.69 2a55 s THR 47 N -1.33 1.64 -0.32 5.49 2.01 -1.13 -2.65 115.64 119.35 2a55 s THR 47 Ca 0.25 -1.80 -0.24 0.00 0.31 0.00 0.00 61.69 60.21 2a55 s THR 47 Cb -0.11 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.71 2a55 s THR 47 CO 0.17 -0.32 0.83 0.00 -0.69 0.00 0.00 174.62 174.61 2a55 s ASN 49 N 1.68 4.79 -1.37 0.00 2.20 -1.20 -4.15 114.94 116.89 2a55 s ASN 49 Ca 0.34 -0.68 -0.06 0.00 -0.94 0.00 0.00 52.86 51.52 2a55 s ASN 49 Cb -0.14 0.21 0.09 0.00 -2.00 0.00 0.00 41.25 39.42 2a55 s ASN 49 CO 0.14 -1.56 2.43 -0.24 -2.94 0.00 0.00 177.10 174.93 2a55 n SER 50 N -2.48 7.90 0.00 3.54 2.88 -1.26 -3.51 113.62 120.69 2a55 n SER 50 Ca 0.16 -3.05 0.00 0.00 -1.33 0.00 0.00 58.87 54.64 2a55 n SER 50 Cb 0.61 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 2a55 n SER 50 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2a55 n ASP 51 N 2.19 0.00 -1.12 -3.46 -0.08 -1.26 -4.99 116.55 107.84 2a55 n ASP 51 Ca 0.63 -1.00 -0.15 0.00 -1.51 0.00 0.00 54.79 52.77 2a55 n ASP 51 Cb 0.25 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.65 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 1.41 3.47 0.27 0.00 -1.23 -4.94 105.19 104.17 2a55 n GLY 52 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.22 1.68 -0.38 1.61 -1.05 -1.26 -3.70 118.70 112.39 2a55 s GLU 53 Ca 0.00 -1.94 -0.14 0.00 -0.15 0.00 0.00 54.97 52.74 2a55 s GLU 53 Cb 0.00 -0.94 0.00 0.00 -0.44 0.00 0.00 34.13 32.75 2a55 s GLU 53 CO 0.00 -0.18 0.28 -1.58 0.95 0.00 0.00 175.26 174.74 2a55 s TRP 54 N -3.24 3.23 -0.04 4.83 0.52 -1.26 -3.26 118.94 119.73 2a55 s TRP 54 Ca 0.36 -0.38 -0.09 0.00 0.02 0.00 0.00 56.10 56.01 2a55 s TRP 54 Cb 0.09 -2.56 -0.05 0.00 -1.15 0.00 0.00 33.47 29.80 2a55 s TRP 54 CO 0.16 -0.48 0.27 0.08 0.02 0.00 0.00 176.95 177.00 2a55 s VAL 55 N 1.74 5.28 0.00 4.03 1.01 -1.12 -4.89 120.40 126.45 2a55 s VAL 55 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2a55 s VAL 55 Cb -0.18 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2a55 s VAL 55 CO 0.10 0.52 0.00 0.00 0.00 0.00 0.00 175.10 175.72 2a55 n TYR 56 N 1.63 0.00 -1.45 5.22 0.18 -1.26 -2.84 117.16 118.63 2a55 n TYR 56 Ca -0.15 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.71 2a55 n TYR 56 Cb 0.53 0.01 -0.02 0.00 -0.38 0.00 0.00 39.34 39.49 2a55 n TYR 56 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2a55 n ASN 57 N 0.00 -4.56 -4.47 9.48 4.13 -1.26 -4.52 115.26 114.07 2a55 n ASN 57 Ca 0.00 0.64 -0.43 0.00 1.68 0.00 0.00 54.58 56.47 2a55 n ASN 57 Cb 0.00 -1.95 -0.08 0.00 -1.54 0.00 0.00 39.78 36.21 2a55 n ASN 57 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2a55 s THR 58 N -1.21 5.01 -2.01 3.41 2.01 -1.26 -4.91 115.64 116.69 2a55 s THR 58 Ca 0.00 -0.41 0.18 0.00 0.31 0.00 0.00 61.69 61.77 2a55 s THR 58 Cb 0.00 -4.14 0.53 0.00 0.01 0.00 0.00 72.50 68.90 2a55 s THR 58 CO 0.00 -0.57 1.44 2.22 -0.69 0.00 0.00 174.62 177.02 2a55 n PHE 59 N 5.79 0.79 -3.69 4.92 1.16 -1.26 -4.85 117.46 120.32 2a55 n PHE 59 Ca -0.07 -0.40 -0.10 0.00 -1.87 0.00 0.00 57.45 55.01 2a55 n PHE 59 Cb 0.46 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.23 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 4.30 1.59 -1.30 0.00 -5.35 -1.26 -5.04 119.36 112.30 2a55 n ILE 61 Ca -0.23 -0.37 -0.00 0.00 -0.27 0.00 0.00 62.75 61.88 2a55 n ILE 61 Cb 0.55 -1.81 -0.00 0.00 -1.74 0.00 0.00 39.64 36.64 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 -3.94 -1.03 -3.62 4.28 4.19 -1.26 -4.96 117.16 110.81 2a55 n TYR 62 Ca -0.41 0.61 -0.03 0.00 3.31 0.00 0.00 57.90 61.39 2a55 n TYR 62 Cb 0.88 -2.38 -0.05 0.00 0.49 0.00 0.00 39.34 38.27 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 -1.69 0.58 0.00 2.98 -2.85 -0.93 -4.93 119.74 112.90 2a55 s LYS 63 Ca -0.00 1.23 0.00 0.00 -1.00 0.00 0.00 55.97 56.20 2a55 s LYS 63 Cb 0.00 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 2a55 s LYS 63 CO 0.00 -0.16 0.00 2.89 0.10 0.00 0.00 175.35 178.18 2a55 n ARG 64 N 4.83 2.85 -4.48 1.78 1.85 -1.26 -3.11 116.66 119.13 2a55 n ARG 64 Ca -0.15 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.44 2a55 n ARG 64 Cb 0.54 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.78 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2a55 n ARG 66 N 4.04 2.08 -1.68 0.00 3.00 -1.26 -4.71 116.66 118.13 2a55 n ARG 66 Ca -0.21 0.73 -0.47 0.00 -0.00 0.00 0.00 57.85 57.91 2a55 n ARG 66 Cb 0.51 -2.30 -0.04 0.00 0.00 0.00 0.00 32.46 30.63 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 0.40 2.38 -0.34 -0.14 -0.00 -1.26 -4.76 115.22 111.49 2a55 n HIS 67 Ca 0.05 -0.09 0.23 0.00 -0.00 0.00 0.00 57.72 57.91 2a55 n HIS 67 Cb 0.36 -2.70 0.49 0.00 -0.00 0.00 0.00 29.99 28.14 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2a55 h PRO 68 N 9.51 0.38 0.00 1.57 0.11 -2.01 -3.48 132.00 138.09 2a55 h PRO 68 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2a55 h PRO 68 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2a55 h PRO 68 CO 0.95 0.25 0.00 0.41 -0.21 0.00 0.00 178.00 179.40 2a55 n GLY 69 N -1.42 -1.04 3.74 -0.55 0.00 -1.26 -4.64 105.19 100.02 2a55 n GLY 69 Ca 0.28 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.43 4.74 -0.62 1.61 2.12 -1.26 -4.90 118.70 119.97 2a55 s GLU 70 Ca 0.00 1.48 -0.18 0.00 0.36 0.00 0.00 54.97 56.62 2a55 s GLU 70 Cb 0.00 -3.34 0.11 0.00 0.26 0.00 0.00 34.13 31.16 2a55 s GLU 70 CO 0.00 0.30 0.71 -1.17 -0.54 0.00 0.00 175.26 174.56 2a55 s LEU 71 N -0.39 5.54 0.06 2.70 0.20 -1.26 -4.98 118.68 120.54 2a55 s LEU 71 Ca 0.45 -1.57 -0.31 0.00 0.69 0.00 0.00 54.13 53.39 2a55 s LEU 71 Cb -0.24 -2.29 -0.08 0.00 -0.43 0.00 0.00 46.19 43.14 2a55 s LEU 71 CO 0.31 -1.06 1.68 -0.60 -0.29 0.00 0.00 176.35 176.39 2a55 s ARG 72 N 2.43 4.19 -1.06 1.98 3.52 -1.26 -1.08 118.95 127.67 2a55 s ARG 72 Ca 0.12 2.35 -0.03 0.00 -0.13 0.00 0.00 55.73 58.04 2a55 s ARG 72 Cb -0.23 -3.66 0.00 0.00 -1.56 0.00 0.00 34.95 29.50 2a55 s ARG 72 CO 0.04 -0.76 0.90 0.09 -0.81 0.00 0.00 175.30 174.77 2a55 n ASN 73 N 5.83 -3.39 -3.58 -2.12 5.03 -1.26 -4.75 115.26 111.01 2a55 n ASN 73 Ca 0.16 -0.50 -0.00 0.00 0.87 0.00 0.00 54.58 55.11 2a55 n ASN 73 Cb 0.41 -4.38 0.01 0.00 -1.02 0.00 0.00 39.78 34.80 2a55 n ASN 73 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2a55 s GLY 74 N -3.82 -0.01 -0.03 7.41 0.00 -0.24 -3.10 107.32 107.52 2a55 s GLY 74 Ca 0.18 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.79 2a55 s GLY 74 CO 0.62 3.82 -0.07 1.20 0.00 0.00 0.00 173.10 178.66 2a55 s GLN 75 N -2.11 0.89 -0.41 2.90 -0.21 0.16 -4.59 119.66 116.30 2a55 s GLN 75 Ca 0.25 -0.24 -0.10 0.00 0.02 0.00 0.00 55.36 55.30 2a55 s GLN 75 Cb -0.01 -0.84 0.07 0.00 1.00 0.00 0.00 33.01 33.22 2a55 s GLN 75 CO 0.02 0.05 0.25 0.08 -2.12 0.00 0.00 175.29 173.57 2a55 s VAL 76 N 0.39 4.32 -0.73 1.09 1.01 -1.26 -1.42 120.40 123.80 2a55 s VAL 76 Ca -0.06 -1.27 -0.26 0.00 0.00 0.00 0.00 61.98 60.39 2a55 s VAL 76 Cb -0.10 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2a55 s VAL 76 CO 0.00 -0.45 2.00 -0.70 0.00 0.00 0.00 175.10 175.96 2a55 s GLU 77 N 1.46 2.45 0.14 2.72 2.12 -0.91 -4.93 118.70 121.74 2a55 s GLU 77 Ca 0.03 0.33 0.11 0.00 0.36 0.00 0.00 54.97 55.80 2a55 s GLU 77 Cb -0.22 -4.70 -0.04 0.00 0.26 0.00 0.00 34.13 29.42 2a55 s GLU 77 CO 0.03 -3.20 -0.26 0.42 -0.54 0.00 0.00 175.26 171.71 2a55 s ILE 78 N 10.33 2.33 0.00 -3.70 -1.09 -1.26 -4.44 121.20 123.37 2a55 s ILE 78 Ca 0.74 -1.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.38 2a55 s ILE 78 Cb -0.11 -2.05 0.00 0.00 -1.58 0.00 0.00 42.46 38.72 2a55 s ILE 78 CO 0.12 0.06 0.00 2.29 -1.23 0.00 0.00 174.94 176.17 2a55 n LYS 79 N 0.79 0.00 0.00 2.79 0.00 -1.26 -4.95 118.16 115.53 2a55 n LYS 79 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 2a55 n LYS 79 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.56 2a55 n LYS 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 80 N -0.98 0.00 -0.96 0.58 -2.24 -1.26 -4.77 114.28 104.64 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 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 2a55 n THR 80 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2a55 n ASP 81 N 0.03 -5.69 -2.49 3.42 9.92 -1.26 -1.81 116.55 118.67 2a55 n ASP 81 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 2a55 n ASP 81 Cb 0.18 -3.40 0.05 0.00 -0.64 0.00 0.00 41.12 37.30 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 -3.77 -4.74 0.64 7.99 -1.26 -4.81 117.00 111.05 2a55 n LEU 82 Ca 0.00 -0.40 -0.37 0.00 -0.01 0.00 0.00 56.01 55.23 2a55 n LEU 82 Cb 0.47 -2.09 -0.06 0.00 -0.11 0.00 0.00 43.42 41.63 2a55 n LEU 82 CO 0.00 0.13 0.08 -0.94 -1.51 0.00 0.00 177.39 175.14 2a55 s SER 83 N -3.47 6.58 0.22 -1.43 1.04 -0.75 -0.15 113.70 115.75 2a55 s SER 83 Ca 0.16 0.69 -0.19 0.00 0.48 0.00 0.00 55.95 57.09 2a55 s SER 83 Cb -0.02 -2.23 -0.13 0.00 0.10 0.00 0.00 66.02 63.74 2a55 s SER 83 CO 0.44 0.08 0.26 0.33 0.98 0.00 0.00 173.24 175.33 2a55 n PHE 84 N 3.41 -0.89 -1.51 5.02 7.35 -1.18 -3.98 117.46 125.69 2a55 n PHE 84 Ca -0.10 0.63 0.00 0.00 -0.76 0.00 0.00 57.45 57.22 2a55 n PHE 84 Cb 0.52 -1.44 0.00 0.00 0.35 0.00 0.00 39.48 38.91 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 1.64 0.79 3.36 7.13 0.00 -1.26 -4.95 105.19 111.89 2a55 n GLY 85 Ca 0.12 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.90 -0.36 -0.13 1.61 0.01 -1.26 -4.99 113.70 105.69 2a55 s SER 86 Ca 0.00 -0.00 0.01 0.00 1.31 0.00 0.00 55.95 57.26 2a55 s SER 86 Cb 0.00 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 2a55 s SER 86 CO 0.00 -0.76 -0.15 -1.58 0.41 0.00 0.00 173.24 171.16 2a55 s GLN 87 N -2.90 3.31 -0.27 12.44 -0.44 -1.25 -3.30 119.66 127.24 2a55 s GLN 87 Ca -0.03 -0.73 0.03 0.00 -2.50 0.00 0.00 55.36 52.13 2a55 s GLN 87 Cb -0.00 -2.57 0.07 0.00 -1.64 0.00 0.00 33.01 28.86 2a55 s GLN 87 CO -0.05 0.19 -0.08 0.96 0.50 0.00 0.00 175.29 176.81 2a55 s ILE 88 N 0.40 2.10 0.21 -2.34 -4.36 -0.71 -4.90 121.20 111.60 2a55 s ILE 88 Ca -0.12 -1.70 -0.30 0.00 -0.26 0.00 0.00 60.65 58.27 2a55 s ILE 88 Cb -0.16 -2.28 -0.08 0.00 1.25 0.00 0.00 42.46 41.18 2a55 s ILE 88 CO 0.06 -0.14 1.03 -1.61 0.24 0.00 0.00 174.94 174.52 2a55 s GLU 89 N 1.11 4.70 0.64 0.37 2.02 -1.26 -3.18 118.70 123.11 2a55 s GLU 89 Ca -0.05 1.63 0.05 0.00 0.02 0.00 0.00 54.97 56.61 2a55 s GLU 89 Cb -0.20 -3.27 0.11 0.00 0.10 0.00 0.00 34.13 30.87 2a55 s GLU 89 CO -0.06 0.27 0.89 -0.06 0.02 0.00 0.00 175.26 176.32 2a55 s PHE 90 N -0.71 1.45 -0.29 1.61 0.08 -1.10 -2.15 117.98 116.88 2a55 s PHE 90 Ca 0.45 -0.53 -0.01 0.00 0.12 0.00 0.00 56.93 56.96 2a55 s PHE 90 Cb -0.28 -2.57 0.18 0.00 -0.57 0.00 0.00 43.02 39.78 2a55 s PHE 90 CO 0.35 -1.43 0.54 -1.12 -0.10 0.00 0.00 175.22 173.46 2a55 s SER 91 N -4.71 -0.97 -0.32 1.36 0.01 -0.51 -4.88 113.70 103.68 2a55 s SER 91 Ca 0.64 0.71 -0.24 0.00 1.31 0.00 0.00 55.95 58.36 2a55 s SER 91 Cb -0.05 1.90 0.00 0.00 0.21 0.00 0.00 66.02 68.08 2a55 s SER 91 CO 0.42 -0.27 0.83 0.00 0.41 0.00 0.00 173.24 174.63 2a55 n SER 93 N 6.35 -2.58 -4.39 0.00 3.41 -1.18 -4.65 113.62 110.59 2a55 n SER 93 Ca 0.05 -0.08 -0.38 0.00 -0.26 0.00 0.00 58.87 58.20 2a55 n SER 93 Cb 0.48 -0.84 0.03 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 -0.86 0.32 0.00 4.33 2.13 -1.26 -1.86 120.64 123.43 2a55 n GLU 94 Ca 0.00 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.95 2a55 n GLU 94 Cb 0.65 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.88 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 2.03 1.37 3.45 8.31 0.00 -1.26 -4.91 105.19 114.19 2a55 n GLY 95 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 2.91 0.48 1.61 0.08 -0.78 -1.13 117.98 121.16 2a55 s PHE 96 Ca 0.00 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.66 2a55 s PHE 96 Cb 0.00 -1.87 0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2a55 s PHE 96 CO 0.00 -0.07 0.69 -0.59 -0.10 0.00 0.00 175.22 175.15 2a55 s PHE 97 N 0.21 2.98 0.13 0.36 -0.71 -1.15 -3.99 117.98 115.79 2a55 s PHE 97 Ca -0.05 -0.02 -0.21 0.00 -1.04 0.00 0.00 56.93 55.60 2a55 s PHE 97 Cb -0.15 -2.50 -0.07 0.00 -1.21 0.00 0.00 43.02 39.09 2a55 s PHE 97 CO 0.04 -0.58 0.66 -1.17 -1.34 0.00 0.00 175.22 172.82 2a55 s LEU 98 N -4.59 4.52 -0.32 -1.99 0.20 -1.26 -3.98 118.68 111.26 2a55 s LEU 98 Ca 0.53 1.40 0.06 0.00 0.69 0.00 0.00 54.13 56.81 2a55 s LEU 98 Cb -0.10 -3.13 0.19 0.00 -0.43 0.00 0.00 46.19 42.71 2a55 s LEU 98 CO 0.37 0.22 0.56 -0.63 -0.29 0.00 0.00 176.35 176.58 2a55 s ILE 99 N -1.19 -0.92 0.00 6.68 1.01 -1.22 -4.97 121.20 120.59 2a55 s ILE 99 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2a55 s ILE 99 Cb -0.20 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.53 2a55 s ILE 99 CO 0.22 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.70 2a55 n GLY 100 N 5.12 0.00 2.13 6.18 0.00 -1.26 -0.58 105.19 116.78 2a55 n GLY 100 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.11 0.00 1.61 2.88 -1.26 -4.55 113.62 109.19 2a55 n SER 101 Ca 0.00 1.06 0.02 0.00 -1.33 0.00 0.00 58.87 58.62 2a55 n SER 101 Cb 0.00 -3.93 0.11 0.00 -0.75 0.00 0.00 64.21 59.64 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 1.21 0.95 -4.44 2.46 -2.24 -1.26 -4.56 114.28 106.40 2a55 n THR 102 Ca -0.19 0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.59 2a55 n THR 102 Cb 0.29 -1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 67.26 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 -2.56 2.33 -0.15 4.28 -4.23 -1.26 -2.70 115.64 111.35 2a55 s THR 103 Ca 0.04 -2.27 -0.04 0.00 -1.18 0.00 0.00 61.69 58.24 2a55 s THR 103 Cb 0.03 -2.20 0.07 0.00 1.34 0.00 0.00 72.50 71.74 2a55 s THR 103 CO 0.07 -0.35 0.25 -0.55 -0.54 0.00 0.00 174.62 173.50 2a55 s SER 104 N -3.24 0.64 0.40 3.99 0.15 -1.19 -4.93 113.70 109.53 2a55 s SER 104 Ca 0.26 0.34 0.08 0.00 0.70 0.00 0.00 55.95 57.33 2a55 s SER 104 Cb -0.05 0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 64.85 2a55 s SER 104 CO 0.12 -0.27 0.42 -0.13 1.20 0.00 0.00 173.24 174.59 2a55 s ARG 105 N 2.39 2.67 -0.31 5.44 0.52 -1.26 -1.74 118.95 126.66 2a55 s ARG 105 Ca 0.04 -1.40 -0.06 0.00 -0.52 0.00 0.00 55.73 53.78 2a55 s ARG 105 Cb -0.13 -2.52 0.02 0.00 0.52 0.00 0.00 34.95 32.84 2a55 s ARG 105 CO -0.10 -0.17 0.08 0.00 0.02 0.00 0.00 175.30 175.14 2a55 s GLU 107 N 1.45 2.00 -0.00 0.00 2.12 0.22 -4.21 118.70 120.28 2a55 s GLU 107 Ca 0.01 -1.47 0.00 0.00 0.36 0.00 0.00 54.97 53.87 2a55 s GLU 107 Cb -0.18 -2.03 0.00 0.00 0.26 0.00 0.00 34.13 32.18 2a55 s GLU 107 CO 0.02 0.38 0.00 0.54 -0.54 0.00 0.00 175.26 175.66 2a55 s VAL 108 N -2.12 0.01 -0.20 3.70 0.11 -1.26 0.86 120.40 121.50 2a55 s VAL 108 Ca 0.28 0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.33 2a55 s VAL 108 Cb -0.07 -0.02 0.05 0.00 -1.53 0.00 0.00 36.38 34.81 2a55 s VAL 108 CO 0.16 0.01 -0.04 -1.10 -3.33 0.00 0.00 175.10 170.80 2a55 s GLN 109 N 0.05 1.43 4.15 1.54 -0.21 -1.24 -4.93 119.66 120.45 2a55 s GLN 109 Ca -0.00 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.68 2a55 s GLN 109 Cb -0.01 -2.27 0.00 0.00 1.00 0.00 0.00 33.01 31.73 2a55 s GLN 109 CO -0.00 -0.52 0.00 -0.25 -2.12 0.00 0.00 175.29 172.39 2a55 n ASP 110 N 4.81 0.00 0.00 5.90 9.92 -1.26 -1.63 116.55 134.30 2a55 n ASP 110 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 2a55 n ASP 110 Cb 0.46 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 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 1.90 0.00 -2.45 -1.24 0.00 -1.26 -4.61 116.66 109.01 2a55 n ARG 111 Ca 0.00 0.26 -0.24 0.00 -0.00 0.00 0.00 57.85 57.87 2a55 n ARG 111 Cb 0.00 -1.53 0.13 0.00 -0.00 0.00 0.00 32.46 31.06 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2a55 n GLY 112 N -1.24 0.35 0.00 2.89 0.00 -0.64 -5.12 105.19 101.43 2a55 n GLY 112 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.98 0.00 0.00 1.61 3.14 -1.26 -3.73 118.33 115.12 2a55 n VAL 113 Ca 0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 2a55 n VAL 113 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 2a55 n VAL 113 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2a55 n GLY 114 N -0.47 0.72 3.67 7.55 0.00 0.25 -4.52 105.19 112.38 2a55 n GLY 114 Ca 0.00 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 2a55 n GLY 114 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2a55 n TRP 115 N 4.43 0.89 -0.03 1.61 7.02 -1.26 0.71 117.44 130.82 2a55 n TRP 115 Ca 0.00 0.40 -0.03 0.00 -1.02 0.00 0.00 57.50 56.85 2a55 n TRP 115 Cb 0.00 -2.03 -0.04 0.00 -2.42 0.00 0.00 31.31 26.83 2a55 n TRP 115 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2a55 n SER 116 N -3.82 3.71 -3.53 -0.99 3.41 -1.26 -4.73 113.62 106.41 2a55 n SER 116 Ca 0.12 -0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.53 2a55 n SER 116 Cb 0.52 0.53 -0.14 0.00 -0.26 0.00 0.00 64.21 64.85 2a55 n SER 116 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2a55 s HIS 117 N -2.12 -0.19 0.00 7.33 3.76 -1.26 -5.16 115.29 117.65 2a55 s HIS 117 Ca -0.03 0.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.04 2a55 s HIS 117 Cb 0.02 -0.41 0.00 0.00 1.11 0.00 0.00 32.58 33.30 2a55 s HIS 117 CO 0.20 -0.56 0.00 -0.35 -0.85 0.00 0.00 174.74 173.18 2a55 n PRO 118 N 5.31 3.06 -0.85 8.40 -0.05 -1.26 -4.86 135.00 144.75 2a55 n PRO 118 Ca -0.06 0.00 -0.30 0.00 -0.05 0.00 0.00 63.50 63.10 2a55 n PRO 118 Cb 0.49 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 33.92 2a55 n PRO 118 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 2a55 n LEU 119 N 0.00 -0.68 0.00 1.53 7.99 -1.26 -4.97 117.00 119.61 2a55 n LEU 119 Ca 0.00 0.68 0.00 0.00 -0.01 0.00 0.00 56.01 56.68 2a55 n LEU 119 Cb 0.00 -0.57 0.00 0.00 -0.11 0.00 0.00 43.42 42.74 2a55 n LEU 119 CO 0.00 -1.73 0.00 -0.81 -1.51 0.00 0.00 177.39 173.34 2a55 n PRO 120 N 0.63 1.44 -3.81 3.23 -0.04 -1.26 -5.04 135.00 130.16 2a55 n PRO 120 Ca 0.11 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 2a55 n PRO 120 Cb 0.14 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.47 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 0.32 3.29 -0.37 0.54 0.74 0.25 -4.97 119.66 119.46 2a55 s GLN 121 Ca 0.00 -0.71 -0.14 0.00 0.05 0.00 0.00 55.36 54.56 2a55 s GLN 121 Cb 0.00 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.86 2a55 s GLN 121 CO 0.00 -0.31 0.27 0.00 -0.55 0.00 0.00 175.29 174.69 2a55 s GLU 123 N 1.70 1.09 0.38 0.00 2.56 -1.26 -5.00 118.70 118.17 2a55 s GLU 123 Ca 0.05 -0.51 -0.27 0.00 0.00 0.00 0.00 54.97 54.25 2a55 s GLU 123 Cb -0.18 -1.06 -0.09 0.00 2.00 0.00 0.00 34.13 34.80 2a55 s GLU 123 CO 0.10 0.29 1.31 -1.50 -0.56 0.00 0.00 175.26 174.90 2a55 s ILE 124 N -0.36 2.64 0.01 -3.70 -1.16 -1.26 -2.96 121.20 114.40 2a55 s ILE 124 Ca 0.05 0.60 -0.02 0.00 -0.51 0.00 0.00 60.65 60.77 2a55 s ILE 124 Cb -0.05 -3.36 -0.01 0.00 0.61 0.00 0.00 42.46 39.64 2a55 s ILE 124 CO -0.00 0.11 1.03 -0.07 -2.81 0.00 0.00 174.94 173.20 2a55 h LEU 125 N 2.92 -0.09 0.00 8.50 3.38 -1.50 -3.44 115.31 125.07 2a55 h LEU 125 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2a55 h LEU 125 Cb 1.24 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2a55 h LEU 125 CO 0.64 -0.04 0.00 -0.62 0.09 0.00 0.00 178.44 178.51 2a55 n GLU 126 N -2.57 0.00 -1.65 1.13 -0.58 -1.26 -5.06 120.64 110.65 2a55 n GLU 126 Ca -0.01 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 2a55 n GLU 126 Cb 0.03 -0.41 -0.03 0.00 -0.57 0.00 0.00 31.44 30.46 2a55 n GLU 126 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2a55 s HIS 127 N -1.00 1.23 0.16 -0.32 3.76 -1.26 -4.95 115.29 112.91 2a55 s HIS 127 Ca 0.00 0.32 -0.24 0.00 -0.15 0.00 0.00 55.06 54.99 2a55 s HIS 127 Cb 0.00 -4.01 -0.08 0.00 1.11 0.00 0.00 32.58 29.60 2a55 s HIS 127 CO 0.00 -4.35 0.75 -1.01 -0.85 0.00 0.00 174.74 169.28 2a55 s HIS 128 N 7.35 3.87 0.00 1.40 3.76 -1.26 -4.76 115.29 125.65 2a55 s HIS 128 Ca 0.96 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 57.44 2a55 s HIS 128 Cb -0.34 -2.72 0.00 0.00 1.11 0.00 0.00 32.58 30.62 2a55 s HIS 128 CO 0.36 0.51 0.00 1.58 -0.85 0.00 0.00 174.74 176.34 2a55 n HIS 129 N 1.53 0.00 -2.16 1.40 -0.00 -1.26 -5.12 115.22 109.61 2a55 n HIS 129 Ca -0.06 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.24 2a55 n HIS 129 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.46 2a55 n HIS 129 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2a55 s HIS 130 N -0.14 2.27 0.49 1.57 5.04 -1.26 -5.00 115.29 118.27 2a55 s HIS 130 Ca 0.00 0.51 -0.18 0.00 -1.54 0.00 0.00 55.06 53.85 2a55 s HIS 130 Cb 0.00 -3.80 -0.08 0.00 0.04 0.00 0.00 32.58 28.73 2a55 s HIS 130 CO 0.00 -3.00 0.99 -1.01 -2.34 0.00 0.00 174.74 169.38 2a55 s HIS 131 N 4.10 3.29 -2.00 3.88 3.76 -1.26 -5.17 115.29 121.89 2a55 s HIS 131 Ca 0.67 1.53 0.29 0.00 -0.15 0.00 0.00 55.06 57.40 2a55 s HIS 131 Cb -0.28 -2.87 1.71 0.00 1.11 0.00 0.00 32.58 32.25 2a55 s HIS 131 CO 0.25 -0.43 2.05 -2.39 -0.85 0.00 0.00 174.74 173.37