#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 3.66 0.12 6.12 -0.87 -1.26 -4.89 114.94 117.82 2a55 s ASN 1 Ca 0.00 -0.12 0.23 0.00 -1.57 0.00 0.00 52.86 51.40 2a55 s ASN 1 Cb 0.00 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.25 41.16 2a55 s ASN 1 CO 0.00 -2.34 0.97 0.00 -2.57 0.00 0.00 177.10 173.16 2a55 n GLY 3 N 1.25 -1.48 3.70 0.00 0.00 -1.26 -4.46 105.19 102.94 2a55 n GLY 3 Ca 0.00 -1.55 -0.57 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.04 1.12 -1.03 1.61 -0.02 -1.18 -4.83 135.00 129.63 2a55 n PRO 4 Ca 0.00 0.41 -0.35 0.00 -2.02 0.00 0.00 63.50 61.54 2a55 n PRO 4 Cb 0.00 -2.08 0.08 0.00 -0.02 0.00 0.00 33.50 31.48 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 5.00 -0.00 -2.09 0.52 -0.02 -1.26 -5.01 135.00 132.15 2a55 n PRO 5 Ca 0.26 0.04 -0.25 0.00 -2.02 0.00 0.00 63.50 61.52 2a55 n PRO 5 Cb 0.13 -1.64 0.16 0.00 -0.02 0.00 0.00 33.50 32.13 2a55 n PRO 5 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2a55 n PRO 6 N -0.39 -0.75 -2.69 0.52 -0.05 -1.26 -5.01 135.00 125.37 2a55 n PRO 6 Ca 0.06 -2.22 -0.38 0.00 -0.05 0.00 0.00 63.50 60.91 2a55 n PRO 6 Cb 0.52 -1.02 0.01 0.00 -0.05 0.00 0.00 33.50 32.96 2a55 n PRO 6 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 2a55 n THR 7 N -3.34 5.41 -1.71 0.52 -1.04 -1.26 -4.90 114.28 107.96 2a55 n THR 7 Ca 0.16 -5.87 -0.62 0.00 -2.04 0.00 0.00 64.05 55.68 2a55 n THR 7 Cb 0.55 -1.51 -0.08 0.00 -1.82 0.00 0.00 70.33 67.47 2a55 n THR 7 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2a55 n LEU 8 N -0.11 1.62 0.00 -4.42 4.77 -1.25 -4.72 117.00 112.88 2a55 n LEU 8 Ca 0.44 1.14 0.05 0.00 -0.03 0.00 0.00 56.01 57.60 2a55 n LEU 8 Cb 0.29 -1.00 0.25 0.00 -2.33 0.00 0.00 43.42 40.63 2a55 n LEU 8 CO 0.48 -0.77 0.56 -1.20 -1.33 0.00 0.00 177.39 175.13 2a55 n SER 9 N 4.29 0.00 -2.26 -1.43 7.64 -1.26 -1.97 113.62 118.62 2a55 n SER 9 Ca 0.28 -0.01 -0.26 0.00 1.01 0.00 0.00 58.87 59.89 2a55 n SER 9 Cb 0.04 -0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.07 2a55 n SER 9 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2a55 n PHE 10 N -1.18 3.08 0.00 1.43 -1.74 -1.26 -5.01 117.46 112.78 2a55 n PHE 10 Ca 0.05 -2.67 0.00 0.00 -0.56 0.00 0.00 57.45 54.28 2a55 n PHE 10 Cb 0.06 -0.25 0.00 0.00 1.52 0.00 0.00 39.48 40.81 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 -0.60 0.00 -2.67 1.98 0.00 -0.83 -4.79 120.51 113.60 2a55 n ALA 11 Ca 0.42 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.67 2a55 n ALA 11 Cb 0.80 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.00 1.00 0.60 0.00 0.00 0.23 -3.97 121.76 117.62 2a55 s ALA 12 Ca 0.00 -0.69 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 2a55 s ALA 12 Cb 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 23.12 22.85 2a55 s ALA 12 CO 0.00 0.19 0.24 -2.30 0.00 0.00 0.00 175.76 173.89 2a55 n PRO 13 N 2.18 0.28 0.00 0.00 -0.02 -1.26 0.07 135.00 136.25 2a55 n PRO 13 Ca -0.17 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2a55 n PRO 13 Cb 0.55 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 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 0.47 0.00 -3.06 -0.52 1.56 -1.26 -4.46 117.12 109.85 2a55 n MET 14 Ca 0.09 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.54 2a55 n MET 14 Cb 0.48 -0.00 -0.00 0.00 2.15 0.00 0.00 33.22 35.85 2a55 n MET 14 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2a55 s ASP 15 N 0.00 -1.10 0.00 6.12 -1.08 -1.26 -4.82 116.67 114.52 2a55 s ASP 15 Ca 0.00 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 51.55 2a55 s ASP 15 Cb 0.00 1.44 0.00 0.00 -1.46 0.00 0.00 42.92 42.90 2a55 s ASP 15 CO 0.00 -0.13 0.00 0.00 0.52 0.00 0.00 175.17 175.56 2a55 n ILE 16 N 4.28 0.00 -2.37 4.11 3.06 -1.26 -3.77 119.36 123.41 2a55 n ILE 16 Ca 0.09 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.33 2a55 n ILE 16 Cb 0.59 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.76 2a55 n ILE 16 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2a55 n THR 17 N -0.06 -6.74 -0.39 9.51 -2.24 -1.26 -4.62 114.28 108.47 2a55 n THR 17 Ca 0.00 1.52 -0.00 0.00 -2.27 0.00 0.00 64.05 63.30 2a55 n THR 17 Cb 0.00 -3.99 -0.00 0.00 -2.10 0.00 0.00 70.33 64.24 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 1.99 4.06 -0.25 3.22 7.99 -1.26 -3.46 117.00 129.30 2a55 n LEU 18 Ca -0.06 -1.85 0.11 0.00 -0.01 0.00 0.00 56.01 54.19 2a55 n LEU 18 Cb 0.09 -0.87 -0.05 0.00 -0.11 0.00 0.00 43.42 42.48 2a55 n LEU 18 CO 0.06 0.78 0.14 0.35 -1.51 0.00 0.00 177.39 177.20 2a55 n THR 19 N 1.65 0.00 -2.70 -5.08 -2.24 -1.26 -4.96 114.28 99.69 2a55 n THR 19 Ca 0.01 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2a55 n THR 19 Cb 0.39 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.75 2.10 0.00 -0.78 -0.58 -1.22 -5.08 120.64 114.33 2a55 n GLU 20 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2a55 n GLU 20 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.27 2a55 n GLU 20 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2a55 n THR 21 N -0.44 0.00 -4.43 2.62 -2.24 -1.26 -5.06 114.28 103.46 2a55 n THR 21 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 2a55 n THR 21 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 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 1.57 -0.20 -0.78 0.52 -1.26 -3.08 118.95 114.72 2a55 s ARG 22 Ca 0.00 -1.72 -0.04 0.00 -0.52 0.00 0.00 55.73 53.45 2a55 s ARG 22 Cb 0.00 -1.56 0.10 0.00 0.52 0.00 0.00 34.95 34.01 2a55 s ARG 22 CO 0.00 0.27 0.25 -0.06 0.02 0.00 0.00 175.30 175.79 2a55 s PHE 23 N -2.66 -0.39 1.14 -0.53 0.40 -1.26 -5.02 117.98 109.65 2a55 s PHE 23 Ca 0.28 0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 56.84 2a55 s PHE 23 Cb -0.03 -0.26 0.14 0.00 0.51 0.00 0.00 43.02 43.38 2a55 s PHE 23 CO 0.12 -0.60 0.14 0.36 0.70 0.00 0.00 175.22 175.94 2a55 n LYS 24 N 5.33 -1.88 0.00 0.44 2.85 -1.26 -4.07 118.16 119.57 2a55 n LYS 24 Ca -0.05 -0.53 0.05 0.00 -1.05 0.00 0.00 58.31 56.72 2a55 n LYS 24 Cb 0.50 -1.73 0.23 0.00 -0.65 0.00 0.00 35.03 33.37 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2a55 n THR 25 N -4.56 1.12 -0.92 0.58 -2.24 -1.26 -1.72 114.28 105.28 2a55 n THR 25 Ca 0.01 0.28 0.07 0.00 -2.27 0.00 0.00 64.05 62.14 2a55 n THR 25 Cb 0.60 -1.11 0.39 0.00 -2.10 0.00 0.00 70.33 68.11 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 -0.44 3.14 3.91 3.38 0.00 -1.26 -4.10 105.19 109.81 2a55 n GLY 26 Ca 0.03 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.79 4.99 -0.26 2.61 -1.32 -0.70 -5.02 115.64 113.15 2a55 s THR 27 Ca 0.53 -1.02 -0.12 0.00 -1.21 0.00 0.00 61.69 59.88 2a55 s THR 27 Cb 0.41 -3.65 0.09 0.00 -1.51 0.00 0.00 72.50 67.84 2a55 s THR 27 CO 0.15 -0.24 0.60 -0.89 -2.21 0.00 0.00 174.62 172.03 2a55 s THR 28 N -1.92 -0.41 0.34 5.08 2.01 -1.26 -3.22 115.64 116.27 2a55 s THR 28 Ca 0.33 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.35 2a55 s THR 28 Cb -0.09 -0.90 0.07 0.00 0.01 0.00 0.00 72.50 71.59 2a55 s THR 28 CO 0.27 0.01 0.47 0.18 -0.69 0.00 0.00 174.62 174.87 2a55 n LEU 29 N 4.82 0.00 0.00 4.42 7.99 -0.39 -4.92 117.00 128.92 2a55 n LEU 29 Ca -0.16 -0.80 0.00 0.00 -0.01 0.00 0.00 56.01 55.04 2a55 n LEU 29 Cb 0.54 -0.33 0.00 0.00 -0.11 0.00 0.00 43.42 43.52 2a55 n LEU 29 CO -0.01 -0.77 0.00 1.17 -1.51 0.00 0.00 177.39 176.27 2a55 n LYS 30 N -1.92 0.00 -1.55 3.23 0.00 -1.25 -4.18 118.16 112.49 2a55 n LYS 30 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.38 2a55 n LYS 30 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 35.03 35.21 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2a55 n TYR 31 N -2.12 -4.14 -3.67 5.64 4.02 -1.26 -4.80 117.16 110.83 2a55 n TYR 31 Ca 0.00 2.18 -0.20 0.00 -0.01 0.00 0.00 57.90 59.87 2a55 n TYR 31 Cb 0.00 -3.38 0.01 0.00 -0.02 0.00 0.00 39.34 35.96 2a55 n TYR 31 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 2a55 n THR 32 N -0.22 0.00 -3.94 -0.72 5.66 0.11 -4.83 114.28 110.34 2a55 n THR 32 Ca 0.00 -1.73 -0.24 0.00 -3.05 0.00 0.00 64.05 59.03 2a55 n THR 32 Cb 0.00 -0.21 -0.17 0.00 -1.55 0.00 0.00 70.33 68.40 2a55 n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2a55 n LEU 34 N 4.82 -2.70 -4.57 0.00 4.77 -1.26 -4.79 117.00 113.27 2a55 n LEU 34 Ca -0.13 -0.05 -0.40 0.00 -0.03 0.00 0.00 56.01 55.40 2a55 n LEU 34 Cb 0.50 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2a55 n LEU 34 CO 0.16 -2.95 1.56 -2.16 -1.33 0.00 0.00 177.39 172.67 2a55 s PRO 35 N -2.76 2.91 0.00 3.23 0.04 -1.26 -3.36 135.00 133.79 2a55 s PRO 35 Ca 0.47 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2a55 s PRO 35 Cb -0.02 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.21 2a55 s PRO 35 CO 0.67 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.73 2a55 n GLY 36 N 5.57 0.31 3.83 0.56 0.00 -1.26 -5.09 105.19 109.11 2a55 n GLY 36 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 3.62 0.00 1.61 1.51 -1.21 -2.65 117.35 120.23 2a55 s TYR 37 Ca 0.00 1.24 0.00 0.00 -1.01 0.00 0.00 57.07 57.30 2a55 s TYR 37 Cb 0.00 -2.51 0.00 0.00 -0.11 0.00 0.00 41.96 39.34 2a55 s TYR 37 CO 0.00 0.37 0.00 1.33 -1.11 0.00 0.00 175.55 176.14 2a55 n VAL 38 N 0.73 0.00 -5.22 0.71 0.24 -0.39 -4.86 118.33 109.54 2a55 n VAL 38 Ca -0.03 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.95 2a55 n VAL 38 Cb 0.51 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.73 2a55 n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a55 s ARG 39 N 0.83 2.22 0.00 7.34 1.70 -1.26 -2.50 118.95 127.27 2a55 s ARG 39 Ca 0.00 -0.88 0.00 0.00 -0.47 0.00 0.00 55.73 54.38 2a55 s ARG 39 Cb 0.00 -2.12 0.00 0.00 -0.57 0.00 0.00 34.95 32.26 2a55 s ARG 39 CO 0.00 0.56 0.00 0.43 -1.08 0.00 0.00 175.30 175.21 2a55 n SER 40 N 2.44 0.00 0.00 -2.89 7.64 -1.26 -4.98 113.62 114.57 2a55 n SER 40 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2a55 n SER 40 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2a55 n SER 40 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2a55 n HIS 41 N 0.00 0.00 0.00 1.43 8.25 -1.26 -5.15 115.22 118.48 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 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.13 0.00 -3.79 0.41 2.88 -1.26 -5.15 113.62 106.59 2a55 n SER 42 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 2a55 n SER 42 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2a55 n SER 42 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2a55 s THR 43 N 0.00 0.00 0.00 2.46 -1.32 -1.26 -4.49 115.64 111.03 2a55 s THR 43 Ca 0.00 -1.14 0.00 0.00 -1.21 0.00 0.00 61.69 59.34 2a55 s THR 43 Cb 0.00 -2.17 0.00 0.00 -1.51 0.00 0.00 72.50 68.82 2a55 s THR 43 CO 0.00 0.00 0.00 1.67 -2.21 0.00 0.00 174.62 174.08 2a55 n GLN 44 N -0.45 0.28 -1.42 7.08 -0.06 -1.26 -4.89 117.38 116.66 2a55 n GLN 44 Ca -0.04 0.00 0.19 0.00 -2.00 0.00 0.00 57.00 55.15 2a55 n GLN 44 Cb 0.60 -0.02 -0.05 0.00 -4.06 0.00 0.00 30.24 26.70 2a55 n GLN 44 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2a55 n THR 45 N -0.03 0.00 -3.85 1.69 -2.24 -1.26 -4.71 114.28 103.88 2a55 n THR 45 Ca 0.00 0.11 -0.35 0.00 -2.27 0.00 0.00 64.05 61.54 2a55 n THR 45 Cb 0.00 -0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 67.51 2a55 n THR 45 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2a55 s LEU 46 N -7.03 4.45 0.16 3.22 1.02 -1.26 -4.66 118.68 114.58 2a55 s LEU 46 Ca 0.00 -1.56 0.07 0.00 0.02 0.00 0.00 54.13 52.67 2a55 s LEU 46 Cb 0.00 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.40 2a55 s LEU 46 CO 0.00 -0.37 -0.03 -0.89 0.02 0.00 0.00 176.35 175.08 2a55 s THR 47 N 1.22 3.60 -0.27 5.49 2.01 -1.25 -1.26 115.64 125.18 2a55 s THR 47 Ca 0.00 -1.42 -0.26 0.00 0.31 0.00 0.00 61.69 60.32 2a55 s THR 47 Cb -0.21 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.52 2a55 s THR 47 CO -0.02 -0.07 0.92 0.00 -0.69 0.00 0.00 174.62 174.76 2a55 n ASN 49 N 6.28 0.92 -3.35 0.00 0.23 -1.18 -4.34 115.26 113.81 2a55 n ASN 49 Ca 0.08 -1.73 -0.40 0.00 -0.53 0.00 0.00 54.58 52.01 2a55 n ASN 49 Cb 0.47 -0.32 0.02 0.00 -2.08 0.00 0.00 39.78 37.86 2a55 n ASN 49 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2a55 n SER 50 N -2.83 7.45 0.00 0.53 2.88 -1.26 -4.06 113.62 116.32 2a55 n SER 50 Ca 0.09 -3.62 0.00 0.00 -1.33 0.00 0.00 58.87 54.02 2a55 n SER 50 Cb 0.34 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 2a55 n SER 50 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2a55 n ASP 51 N 0.13 1.72 0.00 -3.46 9.92 -1.26 -5.04 116.55 118.57 2a55 n ASP 51 Ca 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 2a55 n ASP 51 Cb 0.27 0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a55 n GLY 52 N 2.31 1.20 0.00 0.44 0.00 -1.26 -5.11 105.19 102.78 2a55 n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2a55 n GLY 52 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2a55 n GLU 53 N 0.00 0.00 -3.63 1.61 0.28 -1.26 -4.34 120.64 113.30 2a55 n GLU 53 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 2a55 n GLU 53 Cb 0.00 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.76 2a55 n GLU 53 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2a55 s TRP 54 N -2.95 3.19 0.12 -1.84 0.52 -1.26 -3.13 118.94 113.58 2a55 s TRP 54 Ca 0.00 -0.42 -0.00 0.00 0.02 0.00 0.00 56.10 55.70 2a55 s TRP 54 Cb 0.00 -2.37 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 2a55 s TRP 54 CO 0.00 -0.40 0.28 0.08 0.02 0.00 0.00 176.95 176.93 2a55 s VAL 55 N 1.65 5.31 0.00 4.03 1.01 -1.20 -4.97 120.40 126.24 2a55 s VAL 55 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2a55 s VAL 55 Cb -0.17 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2a55 s VAL 55 CO 0.07 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.19 2a55 n TYR 56 N -0.11 0.00 -3.60 5.22 4.11 -1.26 -3.86 117.16 117.66 2a55 n TYR 56 Ca -0.05 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.65 2a55 n TYR 56 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.84 2a55 n TYR 56 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 2a55 s ASN 57 N 0.00 5.55 -1.08 9.48 0.01 -1.26 -5.02 114.94 122.62 2a55 s ASN 57 Ca 0.00 -0.40 -0.22 0.00 -0.71 0.00 0.00 52.86 51.53 2a55 s ASN 57 Cb 0.00 -1.01 0.04 0.00 0.41 0.00 0.00 41.25 40.69 2a55 s ASN 57 CO 0.00 -0.44 1.58 -0.89 -1.51 0.00 0.00 177.10 175.84 2a55 s THR 58 N -2.27 3.91 0.07 1.60 2.01 -1.26 -4.67 115.64 115.03 2a55 s THR 58 Ca 0.44 -1.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.16 2a55 s THR 58 Cb -0.07 -4.98 -0.13 0.00 0.01 0.00 0.00 72.50 67.32 2a55 s THR 58 CO 0.29 -1.84 1.43 2.19 -0.69 0.00 0.00 174.62 176.00 2a55 h PHE 59 N 9.41 -1.10 -3.77 4.92 -0.00 -1.90 -3.43 116.94 121.07 2a55 h PHE 59 Ca 0.25 0.01 -0.49 0.00 -0.00 0.00 0.00 57.97 57.74 2a55 h PHE 59 Cb 0.97 0.43 0.00 0.00 -0.00 0.00 0.00 35.95 37.35 2a55 h PHE 59 CO 1.31 -0.53 0.15 0.00 -0.00 0.00 0.00 178.31 179.24 2a55 s ILE 61 N -2.34 0.56 -0.24 0.00 2.07 -1.04 -4.94 121.20 115.26 2a55 s ILE 61 Ca 0.53 -1.26 -0.29 0.00 -1.41 0.00 0.00 60.65 58.22 2a55 s ILE 61 Cb -0.10 -1.43 -0.03 0.00 0.13 0.00 0.00 42.46 41.02 2a55 s ILE 61 CO 0.29 -0.72 1.73 -0.47 -1.91 0.00 0.00 174.94 173.86 2a55 s TYR 62 N 1.69 1.91 -0.43 3.50 6.14 -1.26 -1.26 117.35 127.63 2a55 s TYR 62 Ca 0.10 0.51 0.01 0.00 0.64 0.00 0.00 57.07 58.33 2a55 s TYR 62 Cb -0.17 -4.05 0.21 0.00 0.42 0.00 0.00 41.96 38.37 2a55 s TYR 62 CO -0.27 -3.15 0.92 0.36 0.64 0.00 0.00 175.55 174.05 2a55 n LYS 63 N 7.98 0.35 0.00 4.97 2.85 -1.08 -4.96 118.16 128.26 2a55 n LYS 63 Ca 0.21 -1.43 0.00 0.00 -1.05 0.00 0.00 58.31 56.04 2a55 n LYS 63 Cb 0.45 -0.73 0.00 0.00 -0.65 0.00 0.00 35.03 34.10 2a55 n LYS 63 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2a55 n ARG 64 N 2.66 2.96 -3.98 -1.58 0.00 -1.25 -3.83 116.66 111.64 2a55 n ARG 64 Ca 0.14 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.83 2a55 n ARG 64 Cb 0.61 0.00 -0.16 0.00 -0.00 0.00 0.00 32.46 32.91 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a55 n ARG 66 N 3.78 1.73 -1.70 0.00 3.00 -1.26 -4.71 116.66 117.50 2a55 n ARG 66 Ca -0.23 0.62 -0.54 0.00 -0.00 0.00 0.00 57.85 57.71 2a55 n ARG 66 Cb 0.53 -2.38 -0.06 0.00 0.00 0.00 0.00 32.46 30.55 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 -0.57 2.16 -0.35 -0.14 -0.00 -1.26 -4.80 115.22 110.26 2a55 n HIS 67 Ca 0.08 0.34 0.31 0.00 -0.00 0.00 0.00 57.72 58.45 2a55 n HIS 67 Cb 0.41 -2.54 0.58 0.00 -0.00 0.00 0.00 29.99 28.45 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 8.00 0.09 0.00 1.57 0.11 -2.00 -3.47 132.00 136.30 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 1.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2a55 h PRO 68 CO 0.96 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 179.22 2a55 n GLY 69 N -1.33 -1.13 3.72 -0.55 0.00 -1.26 -4.61 105.19 100.04 2a55 n GLY 69 Ca 0.37 -2.23 -0.40 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 -0.73 4.49 -0.57 1.61 2.12 -1.26 -4.90 118.70 119.46 2a55 s GLU 70 Ca 0.00 1.08 -0.16 0.00 0.36 0.00 0.00 54.97 56.25 2a55 s GLU 70 Cb 0.00 -3.44 0.14 0.00 0.26 0.00 0.00 34.13 31.09 2a55 s GLU 70 CO 0.00 0.05 0.53 -1.17 -0.54 0.00 0.00 175.26 174.13 2a55 s LEU 71 N 0.76 6.22 0.12 2.70 2.96 -1.26 -4.98 118.68 125.20 2a55 s LEU 71 Ca 0.42 -1.86 -0.31 0.00 -0.22 0.00 0.00 54.13 52.16 2a55 s LEU 71 Cb -0.19 -2.21 -0.10 0.00 0.50 0.00 0.00 46.19 44.19 2a55 s LEU 71 CO 0.22 -0.84 1.71 -0.60 -1.32 0.00 0.00 176.35 175.52 2a55 s ARG 72 N 1.50 4.17 -0.91 1.98 3.52 -1.26 -1.22 118.95 126.73 2a55 s ARG 72 Ca 0.05 2.47 -0.00 0.00 -0.13 0.00 0.00 55.73 58.12 2a55 s ARG 72 Cb -0.28 -3.45 -0.00 0.00 -1.56 0.00 0.00 34.95 29.66 2a55 s ARG 72 CO 0.02 -0.76 0.76 0.09 -0.81 0.00 0.00 175.30 174.60 2a55 n ASN 73 N 5.14 -2.10 -3.59 -2.12 3.02 -1.26 -4.71 115.26 109.64 2a55 n ASN 73 Ca 0.16 -0.47 -0.00 0.00 -0.03 0.00 0.00 54.58 54.24 2a55 n ASN 73 Cb 0.39 -4.02 0.01 0.00 -0.61 0.00 0.00 39.78 35.55 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 -4.02 -0.02 -0.02 7.41 0.00 -0.35 -2.61 107.32 107.70 2a55 s GLY 74 Ca 0.01 -0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.62 2a55 s GLY 74 CO 0.56 3.93 -0.07 1.62 0.00 0.00 0.00 173.10 179.14 2a55 s GLN 75 N -2.10 0.70 -0.41 2.90 2.00 -0.96 -4.72 119.66 117.06 2a55 s GLN 75 Ca 0.25 -0.21 -0.08 0.00 -2.00 0.00 0.00 55.36 53.32 2a55 s GLN 75 Cb -0.01 -0.68 0.07 0.00 0.80 0.00 0.00 33.01 33.19 2a55 s GLN 75 CO 0.02 0.08 0.23 0.08 -0.50 0.00 0.00 175.29 175.20 2a55 s VAL 76 N 0.21 4.11 -0.57 1.34 1.01 -1.26 -3.11 120.40 122.12 2a55 s VAL 76 Ca -0.03 -1.40 -0.26 0.00 0.00 0.00 0.00 61.98 60.29 2a55 s VAL 76 Cb -0.07 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2a55 s VAL 76 CO -0.00 -0.47 1.99 -0.70 0.00 0.00 0.00 175.10 175.92 2a55 s GLU 77 N 1.40 2.52 0.08 2.72 2.56 -1.01 -4.94 118.70 122.04 2a55 s GLU 77 Ca 0.03 0.83 0.08 0.00 0.00 0.00 0.00 54.97 55.91 2a55 s GLU 77 Cb -0.22 -4.43 -0.03 0.00 2.00 0.00 0.00 34.13 31.44 2a55 s GLU 77 CO 0.02 -2.84 -0.22 0.42 -0.56 0.00 0.00 175.26 172.09 2a55 s ILE 78 N 9.76 1.76 0.00 -3.70 -1.09 -1.26 -4.47 121.20 122.21 2a55 s ILE 78 Ca 0.75 -1.44 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 2a55 s ILE 78 Cb -0.14 -1.57 0.00 0.00 -1.58 0.00 0.00 42.46 39.17 2a55 s ILE 78 CO 0.22 0.06 0.00 2.29 -1.23 0.00 0.00 174.94 176.28 2a55 n LYS 79 N 1.35 0.00 0.00 2.79 0.00 -1.26 -4.94 118.16 116.09 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 -0.96 0.00 -0.99 0.58 -2.24 -1.26 -4.78 114.28 104.63 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 -0.04 -5.80 -2.62 3.42 9.92 -1.26 -2.11 116.55 118.06 2a55 n ASP 81 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 2a55 n ASP 81 Cb 0.18 -3.40 0.05 0.00 -0.64 0.00 0.00 41.12 37.31 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 -3.95 -4.72 0.64 7.99 -1.26 -4.79 117.00 110.90 2a55 n LEU 82 Ca 0.00 -0.44 -0.37 0.00 -0.01 0.00 0.00 56.01 55.19 2a55 n LEU 82 Cb 0.48 -2.26 -0.06 0.00 -0.11 0.00 0.00 43.42 41.46 2a55 n LEU 82 CO 0.00 0.14 0.09 -0.94 -1.51 0.00 0.00 177.39 175.18 2a55 s SER 83 N -3.52 6.57 0.19 -1.43 1.04 -0.90 0.05 113.70 115.70 2a55 s SER 83 Ca 0.18 0.68 -0.18 0.00 0.48 0.00 0.00 55.95 57.10 2a55 s SER 83 Cb -0.02 -2.24 -0.12 0.00 0.10 0.00 0.00 66.02 63.74 2a55 s SER 83 CO 0.48 0.04 0.27 0.33 0.98 0.00 0.00 173.24 175.34 2a55 n PHE 84 N 3.66 -0.71 -1.63 5.02 7.35 -1.25 -3.82 117.46 126.08 2a55 n PHE 84 Ca -0.09 0.60 0.00 0.00 -0.76 0.00 0.00 57.45 57.20 2a55 n PHE 84 Cb 0.52 -1.33 0.00 0.00 0.35 0.00 0.00 39.48 39.01 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 1.48 0.58 3.34 7.13 0.00 -1.26 -4.91 105.19 111.55 2a55 n GLY 85 Ca 0.11 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.79 -0.33 -0.08 1.61 0.01 -1.25 -5.00 113.70 105.87 2a55 s SER 86 Ca 0.00 0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.35 2a55 s SER 86 Cb 0.00 0.44 -0.01 0.00 0.21 0.00 0.00 66.02 66.66 2a55 s SER 86 CO 0.00 -0.68 -0.22 -1.58 0.41 0.00 0.00 173.24 171.17 2a55 s GLN 87 N -2.44 2.83 -0.11 12.44 -0.44 -1.25 -3.72 119.66 126.97 2a55 s GLN 87 Ca -0.05 -0.85 0.02 0.00 -2.50 0.00 0.00 55.36 51.98 2a55 s GLN 87 Cb -0.01 -2.30 0.01 0.00 -1.64 0.00 0.00 33.01 29.08 2a55 s GLN 87 CO -0.02 0.31 -0.15 0.96 0.50 0.00 0.00 175.29 176.89 2a55 s ILE 88 N 0.03 1.50 0.80 -2.34 -4.36 -0.90 -4.89 121.20 111.03 2a55 s ILE 88 Ca -0.08 -0.64 -0.09 0.00 -0.26 0.00 0.00 60.65 59.57 2a55 s ILE 88 Cb -0.15 -1.37 0.12 0.00 1.25 0.00 0.00 42.46 42.31 2a55 s ILE 88 CO 0.05 0.44 1.12 -1.61 0.24 0.00 0.00 174.94 175.19 2a55 s GLU 89 N 0.97 1.62 0.32 0.37 2.02 -1.26 -2.53 118.70 120.21 2a55 s GLU 89 Ca -0.07 -0.40 0.06 0.00 0.02 0.00 0.00 54.97 54.57 2a55 s GLU 89 Cb -0.15 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 2a55 s GLU 89 CO -0.01 -1.67 0.21 1.19 0.02 0.00 0.00 175.26 175.00 2a55 n PHE 90 N -3.21 -0.42 -3.20 1.61 3.72 -1.18 -2.40 117.46 112.38 2a55 n PHE 90 Ca 0.11 -2.46 0.04 0.00 -0.05 0.00 0.00 57.45 55.09 2a55 n PHE 90 Cb 0.60 0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 39.29 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2a55 s SER 91 N -3.15 -1.02 -0.12 4.37 1.04 -1.18 -4.86 113.70 108.79 2a55 s SER 91 Ca 0.30 0.73 -0.30 0.00 0.48 0.00 0.00 55.95 57.16 2a55 s SER 91 Cb 0.01 1.89 -0.01 0.00 0.10 0.00 0.00 66.02 68.01 2a55 s SER 91 CO 0.21 -0.19 1.04 0.00 0.98 0.00 0.00 173.24 175.28 2a55 n SER 93 N 5.22 -2.66 0.00 0.00 7.64 -1.07 -4.56 113.62 118.17 2a55 n SER 93 Ca 0.09 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2a55 n SER 93 Cb 0.48 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2a55 n GLU 94 N -0.01 0.00 0.00 1.43 2.13 -1.26 -1.10 120.64 121.83 2a55 n GLU 94 Ca 0.02 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.30 2a55 n GLU 94 Cb 0.38 -0.88 0.00 0.00 0.27 0.00 0.00 31.44 31.21 2a55 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a55 n GLY 95 N -0.93 0.70 3.29 8.31 0.00 -1.26 -4.69 105.19 110.61 2a55 n GLY 95 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.16 -0.21 0.34 1.61 0.08 -0.26 -3.73 117.98 115.66 2a55 s PHE 96 Ca 0.00 0.16 0.09 0.00 0.12 0.00 0.00 56.93 57.30 2a55 s PHE 96 Cb 0.00 0.16 -0.06 0.00 -0.57 0.00 0.00 43.02 42.55 2a55 s PHE 96 CO 0.00 -0.53 -0.09 -0.59 -0.10 0.00 0.00 175.22 173.91 2a55 s PHE 97 N -2.33 2.38 0.15 0.36 -0.71 -0.80 -4.18 117.98 112.86 2a55 s PHE 97 Ca -0.06 -0.51 -0.27 0.00 -1.04 0.00 0.00 56.93 55.05 2a55 s PHE 97 Cb -0.01 -1.37 -0.07 0.00 -1.21 0.00 0.00 43.02 40.35 2a55 s PHE 97 CO -0.02 0.57 0.84 -1.17 -1.34 0.00 0.00 175.22 174.11 2a55 s LEU 98 N -3.60 4.57 -0.41 -1.99 1.98 -1.26 -3.36 118.68 114.60 2a55 s LEU 98 Ca 0.32 1.71 0.08 0.00 -2.89 0.00 0.00 54.13 53.35 2a55 s LEU 98 Cb 0.03 -3.40 0.18 0.00 0.66 0.00 0.00 46.19 43.65 2a55 s LEU 98 CO 0.16 0.12 0.62 -0.63 -1.89 0.00 0.00 176.35 174.73 2a55 s ILE 99 N -0.77 -0.96 0.00 6.68 1.01 -0.97 -4.96 121.20 121.22 2a55 s ILE 99 Ca 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.98 2a55 s ILE 99 Cb -0.23 -0.03 0.00 0.00 0.01 0.00 0.00 42.46 42.20 2a55 s ILE 99 CO 0.28 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.80 2a55 n GLY 100 N 4.40 0.00 2.10 6.18 0.00 -1.26 -0.87 105.19 115.74 2a55 n GLY 100 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.65 0.00 1.61 2.88 -1.26 -4.36 113.62 109.84 2a55 n SER 101 Ca 0.00 0.96 0.03 0.00 -1.33 0.00 0.00 58.87 58.53 2a55 n SER 101 Cb 0.00 -3.73 0.14 0.00 -0.75 0.00 0.00 64.21 59.87 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 1.12 1.12 -4.40 2.46 -2.24 -1.26 -4.61 114.28 106.47 2a55 n THR 102 Ca -0.20 0.28 -0.25 0.00 -2.27 0.00 0.00 64.05 61.62 2a55 n THR 102 Cb 0.30 -1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 67.25 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 -2.69 2.72 -0.13 4.28 -4.23 -1.26 -3.13 115.64 111.20 2a55 s THR 103 Ca 0.05 -2.12 -0.04 0.00 -1.18 0.00 0.00 61.69 58.40 2a55 s THR 103 Cb 0.04 -2.39 0.06 0.00 1.34 0.00 0.00 72.50 71.55 2a55 s THR 103 CO 0.09 -0.28 0.17 -0.55 -0.54 0.00 0.00 174.62 173.51 2a55 s SER 104 N -3.23 1.14 0.48 3.99 0.15 -1.05 -4.92 113.70 110.27 2a55 s SER 104 Ca 0.27 0.05 0.07 0.00 0.70 0.00 0.00 55.95 57.04 2a55 s SER 104 Cb -0.07 0.24 0.07 0.00 -1.71 0.00 0.00 66.02 64.55 2a55 s SER 104 CO 0.15 -0.28 0.55 0.54 1.20 0.00 0.00 173.24 175.40 2a55 n ARG 105 N 5.32 0.72 -3.91 5.44 1.74 -1.26 -2.11 116.66 122.60 2a55 n ARG 105 Ca -0.05 -2.75 -0.28 0.00 -0.77 0.00 0.00 57.85 54.00 2a55 n ARG 105 Cb 0.50 -0.01 -0.17 0.00 -1.02 0.00 0.00 32.46 31.76 2a55 n ARG 105 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a55 s GLU 107 N 1.63 2.21 -0.13 0.00 2.56 0.65 -4.15 118.70 121.48 2a55 s GLU 107 Ca 0.02 -1.48 0.03 0.00 0.00 0.00 0.00 54.97 53.54 2a55 s GLU 107 Cb -0.15 -2.11 0.01 0.00 2.00 0.00 0.00 34.13 33.89 2a55 s GLU 107 CO -0.08 0.34 -0.22 0.08 -0.56 0.00 0.00 175.26 174.83 2a55 s VAL 108 N -2.36 2.15 -0.51 3.70 1.01 -1.26 0.49 120.40 123.61 2a55 s VAL 108 Ca 0.32 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.37 2a55 s VAL 108 Cb -0.06 -1.85 0.13 0.00 0.00 0.00 0.00 36.38 34.60 2a55 s VAL 108 CO 0.19 0.55 0.26 -1.10 0.00 0.00 0.00 175.10 175.00 2a55 s GLN 109 N 0.69 1.97 7.17 2.72 -0.21 0.46 -4.95 119.66 127.51 2a55 s GLN 109 Ca -0.10 -2.59 0.00 0.00 0.02 0.00 0.00 55.36 52.69 2a55 s GLN 109 Cb -0.16 -3.33 0.00 0.00 1.00 0.00 0.00 33.01 30.52 2a55 s GLN 109 CO 0.01 -1.10 0.00 -0.25 -2.12 0.00 0.00 175.29 171.83 2a55 n ASP 110 N 3.16 0.00 -0.84 5.90 9.92 -1.26 -1.19 116.55 132.24 2a55 n ASP 110 Ca 0.05 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.32 2a55 n ASP 110 Cb 0.33 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.89 2a55 n ASP 110 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2a55 n ARG 111 N 8.75 1.79 -4.23 -1.24 1.74 -1.26 -4.84 116.66 117.37 2a55 n ARG 111 Ca 0.00 -0.67 -0.13 0.00 -0.77 0.00 0.00 57.85 56.28 2a55 n ARG 111 Cb 0.00 -1.63 -0.10 0.00 -1.02 0.00 0.00 32.46 29.71 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2a55 s GLY 112 N -0.11 1.25 -0.10 -0.13 0.00 -0.33 -5.17 107.32 102.74 2a55 s GLY 112 Ca 0.12 -1.61 -0.32 0.00 0.00 0.00 0.00 44.72 42.91 2a55 s GLY 112 CO 0.03 -1.49 1.04 0.54 0.00 0.00 0.00 173.10 173.22 2a55 s VAL 113 N -3.79 0.00 -1.74 1.40 0.11 -1.26 -0.40 120.40 114.72 2a55 s VAL 113 Ca 0.27 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2a55 s VAL 113 Cb 0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 2a55 s VAL 113 CO 0.05 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 2a55 n GLY 114 N -0.07 0.70 3.73 6.54 0.00 0.18 -4.57 105.19 111.70 2a55 n GLY 114 Ca -0.05 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 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 3.14 2.06 -0.02 1.61 7.02 -1.23 -0.25 117.44 129.76 2a55 n TRP 115 Ca 0.00 0.42 0.06 0.00 -1.02 0.00 0.00 57.50 56.96 2a55 n TRP 115 Cb 0.00 -2.30 -0.15 0.00 -2.42 0.00 0.00 31.31 26.44 2a55 n TRP 115 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2a55 n SER 116 N -1.60 0.67 -2.87 -0.99 7.64 -1.25 -4.85 113.62 110.37 2a55 n SER 116 Ca 0.14 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.02 2a55 n SER 116 Cb 0.47 1.68 0.01 0.00 -1.01 0.00 0.00 64.21 65.35 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 -3.14 -0.89 0.00 1.43 5.65 -1.26 -5.16 115.29 111.92 2a55 s HIS 117 Ca -0.07 0.01 0.00 0.00 0.25 0.00 0.00 55.06 55.24 2a55 s HIS 117 Cb 0.11 0.17 0.00 0.00 -1.18 0.00 0.00 32.58 31.67 2a55 s HIS 117 CO 0.77 -0.63 0.00 -0.35 -0.65 0.00 0.00 174.74 173.88 2a55 n PRO 118 N 3.61 0.93 -1.48 2.88 -0.04 -1.26 -4.80 135.00 134.83 2a55 n PRO 118 Ca 0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.53 2a55 n PRO 118 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 2a55 n PRO 118 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2a55 n LEU 119 N 0.00 -1.10 0.00 1.53 4.77 -1.26 -4.92 117.00 116.02 2a55 n LEU 119 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2a55 n LEU 119 Cb 0.00 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2a55 n LEU 119 CO 0.00 -0.37 0.00 -2.65 -1.33 0.00 0.00 177.39 173.04 2a55 n PRO 120 N 0.59 -1.11 -3.77 3.23 -0.02 -1.26 -5.00 135.00 127.66 2a55 n PRO 120 Ca -0.01 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 2a55 n PRO 120 Cb 0.18 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.53 2a55 n PRO 120 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2a55 s GLN 121 N -2.34 3.51 -0.47 -0.52 -0.21 -0.04 -4.93 119.66 114.65 2a55 s GLN 121 Ca 0.00 -0.57 -0.15 0.00 0.02 0.00 0.00 55.36 54.66 2a55 s GLN 121 Cb 0.00 -3.31 0.08 0.00 1.00 0.00 0.00 33.01 30.78 2a55 s GLN 121 CO 0.00 -0.25 0.39 0.00 -2.12 0.00 0.00 175.29 173.31 2a55 s GLU 123 N 1.62 1.68 0.38 0.00 0.41 -1.21 -4.91 118.70 116.67 2a55 s GLU 123 Ca 0.04 -1.13 -0.27 0.00 -0.41 0.00 0.00 54.97 53.20 2a55 s GLU 123 Cb -0.24 -1.90 -0.09 0.00 -1.78 0.00 0.00 34.13 30.12 2a55 s GLU 123 CO 0.06 0.48 1.27 -1.50 -0.49 0.00 0.00 175.26 175.09 2a55 s ILE 124 N -0.85 2.76 0.35 -1.63 2.07 -1.25 -1.90 121.20 120.75 2a55 s ILE 124 Ca 0.11 0.70 0.10 0.00 -1.41 0.00 0.00 60.65 60.15 2a55 s ILE 124 Cb -0.10 -3.42 0.33 0.00 0.13 0.00 0.00 42.46 39.41 2a55 s ILE 124 CO 0.03 0.11 1.83 -0.07 -1.91 0.00 0.00 174.94 174.93 2a55 h LEU 125 N 2.87 0.64 -7.00 8.50 3.38 -1.92 -3.43 115.31 118.36 2a55 h LEU 125 Ca -0.49 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.55 2a55 h LEU 125 Cb 1.24 -0.06 -0.23 0.00 0.09 0.00 0.00 40.66 41.70 2a55 h LEU 125 CO 0.63 0.27 0.22 -1.83 0.09 0.00 0.00 178.44 177.82 2a55 s GLU 126 N -5.68 0.67 0.20 1.13 1.03 -1.26 -5.13 118.70 109.67 2a55 s GLU 126 Ca -0.10 0.91 0.00 0.00 0.03 0.00 0.00 54.97 55.82 2a55 s GLU 126 Cb 0.23 0.27 -0.04 0.00 -0.80 0.00 0.00 34.13 33.79 2a55 s GLU 126 CO 0.79 -0.10 0.09 -3.38 -1.33 0.00 0.00 175.26 171.33 2a55 s HIS 127 N 0.73 1.25 0.13 4.83 -3.43 -1.26 -5.16 115.29 112.39 2a55 s HIS 127 Ca -0.02 -1.23 -0.24 0.00 -0.80 0.00 0.00 55.06 52.76 2a55 s HIS 127 Cb -0.05 -0.69 0.08 0.00 -1.43 0.00 0.00 32.58 30.50 2a55 s HIS 127 CO -0.07 -0.45 1.08 -3.38 -2.00 0.00 0.00 174.74 169.92 2a55 s HIS 128 N -3.92 0.01 -0.19 0.38 -3.43 -1.26 -5.18 115.29 101.70 2a55 s HIS 128 Ca 0.34 -0.32 -0.27 0.00 -0.80 0.00 0.00 55.06 54.00 2a55 s HIS 128 Cb 0.07 0.65 0.07 0.00 -1.43 0.00 0.00 32.58 31.95 2a55 s HIS 128 CO 0.10 -0.75 0.71 -3.38 -2.00 0.00 0.00 174.74 169.41 2a55 s HIS 129 N -2.41 -0.74 0.05 0.38 -3.43 -1.26 -5.09 115.29 102.79 2a55 s HIS 129 Ca 0.20 1.64 -0.02 0.00 -0.80 0.00 0.00 55.06 56.08 2a55 s HIS 129 Cb -0.01 0.32 -0.01 0.00 -1.43 0.00 0.00 32.58 31.45 2a55 s HIS 129 CO 0.03 -0.46 -0.03 0.72 -2.00 0.00 0.00 174.74 172.99 2a55 n HIS 130 N 2.04 0.00 -1.66 0.38 8.25 -1.26 -5.09 115.22 117.88 2a55 n HIS 130 Ca -0.16 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.11 2a55 n HIS 130 Cb 0.56 -0.05 0.13 0.00 1.12 0.00 0.00 29.99 31.75 2a55 n HIS 130 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2a55 n HIS 131 N -3.41 -3.95 -0.08 4.41 1.44 -1.26 -5.41 115.22 106.96 2a55 n HIS 131 Ca -0.01 -0.80 0.00 0.00 -2.01 0.00 0.00 57.72 54.90 2a55 n HIS 131 Cb 0.05 -0.67 0.00 0.00 0.12 0.00 0.00 29.99 29.49 2a55 n HIS 131 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25