#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 -0.78 0.19 3.17 -0.87 -1.26 -4.45 114.94 110.95 2a55 s ASN 1 Ca 0.00 0.83 0.23 0.00 -1.57 0.00 0.00 52.86 52.35 2a55 s ASN 1 Cb 0.00 -1.17 0.18 0.00 -0.02 0.00 0.00 41.25 40.23 2a55 s ASN 1 CO 0.00 -5.19 1.22 0.00 -2.57 0.00 0.00 177.10 170.56 2a55 n GLY 3 N 1.24 0.46 3.54 0.00 0.00 -1.26 -4.32 105.19 104.84 2a55 n GLY 3 Ca 0.02 -1.69 -0.54 0.00 0.00 0.00 0.00 46.02 43.80 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 0.60 0.58 -1.67 1.61 -0.02 -1.08 -4.77 135.00 130.27 2a55 n PRO 4 Ca 0.00 0.21 -0.44 0.00 -2.02 0.00 0.00 63.50 61.25 2a55 n PRO 4 Cb 0.00 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.89 1.97 -1.68 0.52 -0.02 -1.26 -4.99 135.00 131.43 2a55 n PRO 5 Ca 0.19 0.70 -0.30 0.00 -2.02 0.00 0.00 63.50 62.07 2a55 n PRO 5 Cb 0.15 -2.31 0.20 0.00 -0.02 0.00 0.00 33.50 31.52 2a55 n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2a55 s PRO 6 N -0.83 0.16 -1.01 0.52 0.04 -1.26 -4.99 135.00 127.63 2a55 s PRO 6 Ca 0.65 -0.28 -0.01 0.00 0.04 0.00 0.00 61.00 61.39 2a55 s PRO 6 Cb -0.64 -1.78 0.32 0.00 0.04 0.00 0.00 34.50 32.44 2a55 s PRO 6 CO 0.53 -2.76 1.71 -2.37 0.04 0.00 0.00 177.00 174.16 2a55 n THR 7 N -4.04 5.79 -1.73 1.26 5.66 -1.26 -5.00 114.28 114.97 2a55 n THR 7 Ca 0.14 -5.95 -0.62 0.00 -3.05 0.00 0.00 64.05 54.57 2a55 n THR 7 Cb 0.59 -1.63 -0.08 0.00 -1.55 0.00 0.00 70.33 67.66 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 0.15 1.90 0.19 1.09 4.32 -1.26 -4.76 117.00 118.63 2a55 n LEU 8 Ca 0.43 1.12 0.14 0.00 -0.02 0.00 0.00 56.01 57.68 2a55 n LEU 8 Cb 0.28 -1.03 0.59 0.00 -1.62 0.00 0.00 43.42 41.64 2a55 n LEU 8 CO 0.54 -0.60 0.91 0.28 -1.22 0.00 0.00 177.39 177.30 2a55 h SER 9 N 6.30 0.00 -1.26 -1.43 0.02 -2.03 -2.93 113.55 112.23 2a55 h SER 9 Ca -0.45 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.83 2a55 h SER 9 Cb 1.34 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.55 2a55 h SER 9 CO 0.97 0.00 0.39 2.22 -1.14 0.00 0.00 176.83 179.27 2a55 n PHE 10 N -2.55 3.10 0.00 3.45 1.16 -1.26 -4.94 117.46 116.42 2a55 n PHE 10 Ca 0.01 -2.70 0.00 0.00 -1.87 0.00 0.00 57.45 52.89 2a55 n PHE 10 Cb 0.24 -1.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.10 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 n ALA 11 N -0.73 0.00 -2.56 1.98 0.00 -1.11 -4.48 120.51 113.61 2a55 n ALA 11 Ca 0.54 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.76 2a55 n ALA 11 Cb 0.62 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.92 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 1.28 0.57 0.00 0.00 -1.01 -4.25 121.76 116.34 2a55 s ALA 12 Ca 0.00 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 2a55 s ALA 12 Cb 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 23.12 22.73 2a55 s ALA 12 CO 0.00 0.30 0.33 -2.30 0.00 0.00 0.00 175.76 174.09 2a55 n PRO 13 N 2.43 0.35 0.00 0.00 -0.02 -1.26 -0.06 135.00 136.44 2a55 n PRO 13 Ca -0.15 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2a55 n PRO 13 Cb 0.55 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 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 0.36 1.13 -2.89 -0.52 1.56 -1.26 -4.58 117.12 110.92 2a55 n MET 14 Ca 0.10 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.51 2a55 n MET 14 Cb 0.48 -0.09 0.01 0.00 2.15 0.00 0.00 33.22 35.76 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 -1.23 0.00 6.12 -1.08 -1.26 -4.91 116.67 114.31 2a55 s ASP 15 Ca 0.00 -1.13 0.00 0.00 -0.52 0.00 0.00 52.55 50.90 2a55 s ASP 15 Cb 0.00 1.60 0.00 0.00 -1.46 0.00 0.00 42.92 43.06 2a55 s ASP 15 CO 0.00 -0.08 0.00 0.00 0.52 0.00 0.00 175.17 175.61 2a55 n ILE 16 N 3.42 0.00 -2.96 4.11 3.06 -1.26 -3.92 119.36 121.81 2a55 n ILE 16 Ca 0.14 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.38 2a55 n ILE 16 Cb 0.58 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.75 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 0.00 -5.71 -1.79 9.51 -2.24 -1.26 -4.64 114.28 108.15 2a55 n THR 17 Ca 0.00 1.04 -0.33 0.00 -2.27 0.00 0.00 64.05 62.50 2a55 n THR 17 Cb 0.00 -4.30 -0.06 0.00 -2.10 0.00 0.00 70.33 63.87 2a55 n THR 17 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2a55 n LEU 18 N 1.57 3.31 0.00 3.22 7.99 -1.26 -3.78 117.00 128.05 2a55 n LEU 18 Ca -0.07 -3.07 0.00 0.00 -0.01 0.00 0.00 56.01 52.86 2a55 n LEU 18 Cb 0.29 -1.55 0.00 0.00 -0.11 0.00 0.00 43.42 42.05 2a55 n LEU 18 CO 0.16 -1.44 0.00 0.35 -1.51 0.00 0.00 177.39 174.95 2a55 n THR 19 N 7.31 0.00 -2.49 -5.08 -2.24 -1.26 -5.11 114.28 105.40 2a55 n THR 19 Ca 0.46 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 62.07 2a55 n THR 19 Cb 0.45 0.68 0.09 0.00 -2.10 0.00 0.00 70.33 69.45 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 0.00 0.05 0.00 -0.78 1.02 -1.25 -5.07 120.64 114.62 2a55 n GLU 20 Ca 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.15 2a55 n GLU 20 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 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 -2.49 0.00 -4.36 2.62 -2.24 -1.26 -5.01 114.28 101.53 2a55 n THR 21 Ca 0.12 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.71 2a55 n THR 21 Cb 0.44 -0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 68.20 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 -1.64 1.38 -0.18 -0.78 0.52 -1.26 -2.62 118.95 114.37 2a55 s ARG 22 Ca 0.00 -1.62 -0.04 0.00 -0.52 0.00 0.00 55.73 53.55 2a55 s ARG 22 Cb 0.00 -1.21 0.08 0.00 0.52 0.00 0.00 34.95 34.33 2a55 s ARG 22 CO 0.00 0.20 0.15 -0.06 0.02 0.00 0.00 175.30 175.62 2a55 s PHE 23 N -2.91 -0.04 1.07 -0.53 0.40 -1.26 -5.04 117.98 109.66 2a55 s PHE 23 Ca 0.24 -0.04 -0.20 0.00 -0.60 0.00 0.00 56.93 56.33 2a55 s PHE 23 Cb -0.01 -0.52 0.02 0.00 0.51 0.00 0.00 43.02 43.01 2a55 s PHE 23 CO 0.08 -0.55 -0.29 0.36 0.70 0.00 0.00 175.22 175.52 2a55 n LYS 24 N 5.30 -1.00 0.04 0.44 2.85 -1.26 -4.21 118.16 120.31 2a55 n LYS 24 Ca -0.06 -0.28 0.05 0.00 -1.05 0.00 0.00 58.31 56.97 2a55 n LYS 24 Cb 0.49 -1.54 0.24 0.00 -0.65 0.00 0.00 35.03 33.57 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 -4.01 1.40 -0.46 0.58 -2.24 -1.26 -1.24 114.28 107.05 2a55 n THR 25 Ca 0.01 0.42 0.07 0.00 -2.27 0.00 0.00 64.05 62.27 2a55 n THR 25 Cb 0.63 -1.32 0.33 0.00 -2.10 0.00 0.00 70.33 67.87 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 -0.80 2.57 3.94 3.38 0.00 -1.26 -4.11 105.19 108.91 2a55 n GLY 26 Ca 0.01 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.20 5.15 -0.28 2.61 -1.32 -0.37 -5.01 115.64 114.22 2a55 s THR 27 Ca 0.45 -0.45 -0.10 0.00 -1.21 0.00 0.00 61.69 60.38 2a55 s THR 27 Cb 0.32 -3.81 0.12 0.00 -1.51 0.00 0.00 72.50 67.62 2a55 s THR 27 CO 0.17 -0.38 0.62 -0.89 -2.21 0.00 0.00 174.62 171.93 2a55 s THR 28 N -2.10 -0.79 0.82 5.08 2.01 -1.25 -3.18 115.64 116.24 2a55 s THR 28 Ca 0.39 0.02 -0.10 0.00 0.31 0.00 0.00 61.69 62.31 2a55 s THR 28 Cb -0.10 -0.95 0.18 0.00 0.01 0.00 0.00 72.50 71.64 2a55 s THR 28 CO 0.32 0.01 1.12 0.18 -0.69 0.00 0.00 174.62 175.56 2a55 n LEU 29 N 5.25 0.00 0.00 4.42 4.32 0.97 -4.87 117.00 127.10 2a55 n LEU 29 Ca -0.13 -1.52 0.00 0.00 -0.02 0.00 0.00 56.01 54.34 2a55 n LEU 29 Cb 0.51 -0.82 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 2a55 n LEU 29 CO -0.03 -1.23 0.00 1.17 -1.22 0.00 0.00 177.39 176.08 2a55 n LYS 30 N -3.29 0.00 -1.34 3.23 4.81 -1.25 -3.73 118.16 116.59 2a55 n LYS 30 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2a55 n LYS 30 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2a55 n TYR 31 N -2.39 -3.69 -3.67 5.64 4.02 -1.26 -4.28 117.16 111.54 2a55 n TYR 31 Ca 0.00 1.98 -0.24 0.00 -0.01 0.00 0.00 57.90 59.63 2a55 n TYR 31 Cb 0.00 -3.13 -0.00 0.00 -0.02 0.00 0.00 39.34 36.19 2a55 n TYR 31 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2a55 s THR 32 N -4.06 2.03 -0.19 -0.72 -1.32 0.91 -4.85 115.64 107.45 2a55 s THR 32 Ca 0.00 -1.38 0.01 0.00 -1.21 0.00 0.00 61.69 59.11 2a55 s THR 32 Cb 0.00 -2.41 0.04 0.00 -1.51 0.00 0.00 72.50 68.62 2a55 s THR 32 CO 0.00 0.00 -0.10 0.00 -2.21 0.00 0.00 174.62 172.31 2a55 n LEU 34 N 4.71 -1.40 -0.60 0.00 4.77 -1.26 -4.67 117.00 118.53 2a55 n LEU 34 Ca -0.14 0.57 0.46 0.00 -0.03 0.00 0.00 56.01 56.87 2a55 n LEU 34 Cb 0.47 -0.56 0.71 0.00 -2.33 0.00 0.00 43.42 41.71 2a55 n LEU 34 CO 0.20 -2.31 1.33 -2.65 -1.33 0.00 0.00 177.39 172.63 2a55 n PRO 35 N 0.75 0.00 0.00 3.23 -0.02 -1.26 -1.48 135.00 136.22 2a55 n PRO 35 Ca 0.08 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 2a55 n PRO 35 Cb 0.21 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2a55 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a55 n GLY 36 N -1.82 0.79 2.37 -1.23 0.00 -1.26 -5.05 105.19 98.99 2a55 n GLY 36 Ca 0.39 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.64 0.59 -0.68 1.61 4.19 -0.55 -4.80 117.16 116.89 2a55 n TYR 37 Ca 0.00 0.39 -0.30 0.00 3.31 0.00 0.00 57.90 61.30 2a55 n TYR 37 Cb 0.00 -1.63 0.15 0.00 0.49 0.00 0.00 39.34 38.35 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 4.92 0.00 -3.56 2.97 0.31 -1.26 -4.52 118.33 117.18 2a55 n VAL 38 Ca 0.43 -0.20 -0.08 0.00 -0.01 0.00 0.00 64.34 64.47 2a55 n VAL 38 Cb -0.00 -0.50 -0.02 0.00 -0.91 0.00 0.00 33.84 32.41 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 -3.25 1.07 0.00 5.55 1.70 -1.26 0.98 118.95 123.74 2a55 s ARG 39 Ca 0.49 -0.46 0.00 0.00 -0.47 0.00 0.00 55.73 55.29 2a55 s ARG 39 Cb -0.07 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 2a55 s ARG 39 CO 0.59 -0.47 0.57 0.45 -1.08 0.00 0.00 175.30 175.36 2a55 n SER 40 N -0.34 1.06 -1.89 -2.89 2.88 -0.40 -4.90 113.62 107.14 2a55 n SER 40 Ca -0.10 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.15 2a55 n SER 40 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 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 -0.14 -1.86 0.00 0.66 1.44 -1.20 -5.01 115.22 109.11 2a55 n HIS 41 Ca 0.00 1.12 0.00 0.00 -2.01 0.00 0.00 57.72 56.83 2a55 n HIS 41 Cb 0.15 -1.84 0.00 0.00 0.12 0.00 0.00 29.99 28.42 2a55 n HIS 41 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2a55 n SER 42 N 1.79 0.00 -0.37 4.39 7.64 -1.26 -4.97 113.62 120.84 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 -0.13 0.00 0.00 0.44 -1.04 -1.26 -4.81 114.28 107.47 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 -3.78 -2.82 10.64 -1.26 -4.67 117.38 115.48 2a55 n GLN 44 Ca 0.00 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 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 0.10 -0.21 -0.39 -4.23 -1.26 -4.58 115.64 105.07 2a55 s THR 45 Ca 0.00 -0.81 -0.03 0.00 -1.18 0.00 0.00 61.69 59.68 2a55 s THR 45 Cb 0.00 -1.01 -0.00 0.00 1.34 0.00 0.00 72.50 72.83 2a55 s THR 45 CO 0.00 -0.44 -0.09 -0.76 -0.54 0.00 0.00 174.62 172.79 2a55 s LEU 46 N -2.25 2.69 0.17 4.79 1.43 -1.24 -4.89 118.68 119.38 2a55 s LEU 46 Ca -0.03 -0.46 0.09 0.00 -1.03 0.00 0.00 54.13 52.71 2a55 s LEU 46 Cb 0.00 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2a55 s LEU 46 CO -0.05 -0.01 -0.15 -0.89 0.23 0.00 0.00 176.35 175.48 2a55 s THR 47 N 1.41 2.93 -0.30 5.49 2.01 -1.26 -0.02 115.64 125.90 2a55 s THR 47 Ca 0.05 -1.71 -0.23 0.00 0.31 0.00 0.00 61.69 60.12 2a55 s THR 47 Cb -0.14 -2.42 -0.00 0.00 0.01 0.00 0.00 72.50 69.95 2a55 s THR 47 CO -0.06 -0.07 0.74 0.00 -0.69 0.00 0.00 174.62 174.55 2a55 s ASN 49 N 1.62 5.29 -1.36 0.00 2.20 -1.26 -4.36 114.94 117.07 2a55 s ASN 49 Ca 0.30 -0.59 -0.09 0.00 -0.94 0.00 0.00 52.86 51.54 2a55 s ASN 49 Cb -0.14 -0.18 0.10 0.00 -2.00 0.00 0.00 41.25 39.03 2a55 s ASN 49 CO 0.12 -1.13 2.20 -0.24 -2.94 0.00 0.00 177.10 175.11 2a55 n SER 50 N -2.13 6.14 0.00 3.54 2.88 -1.26 -3.60 113.62 119.18 2a55 n SER 50 Ca 0.12 -3.01 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 2a55 n SER 50 Cb 0.60 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 2a55 n SER 50 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2a55 n ASP 51 N 3.59 0.00 -1.46 -3.46 9.92 -1.26 -4.99 116.55 118.89 2a55 n ASP 51 Ca 0.52 -1.00 -0.19 0.00 -0.53 0.00 0.00 54.79 53.60 2a55 n ASP 51 Cb 0.32 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.72 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a55 n GLY 52 N 0.00 1.80 3.27 0.44 0.00 -1.24 -4.94 105.19 104.51 2a55 n GLY 52 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.60 1.14 -0.40 1.61 -1.05 -1.26 -4.51 118.70 110.63 2a55 s GLU 53 Ca 0.00 -1.52 -0.21 0.00 -0.15 0.00 0.00 54.97 53.09 2a55 s GLU 53 Cb 0.00 -0.54 0.01 0.00 -0.44 0.00 0.00 34.13 33.16 2a55 s GLU 53 CO 0.00 -0.01 0.64 -1.58 0.95 0.00 0.00 175.26 175.26 2a55 s TRP 54 N -3.42 3.11 0.01 4.83 0.52 -1.26 -3.98 118.94 118.75 2a55 s TRP 54 Ca 0.21 0.16 -0.08 0.00 0.02 0.00 0.00 56.10 56.42 2a55 s TRP 54 Cb 0.04 -3.25 -0.05 0.00 -1.15 0.00 0.00 33.47 29.06 2a55 s TRP 54 CO 0.03 -0.75 0.29 0.08 0.02 0.00 0.00 176.95 176.63 2a55 s VAL 55 N 2.78 5.26 0.00 4.03 1.01 -1.25 -5.05 120.40 127.17 2a55 s VAL 55 Ca 0.24 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2a55 s VAL 55 Cb -0.14 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2a55 s VAL 55 CO 0.17 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.65 2a55 n TYR 56 N 1.17 0.00 -2.76 5.22 4.11 -1.26 -4.17 117.16 119.47 2a55 n TYR 56 Ca -0.11 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.57 2a55 n TYR 56 Cb 0.53 0.00 0.08 0.00 -0.00 0.00 0.00 39.34 39.95 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 4.70 -0.72 9.48 -0.87 -1.26 -5.04 114.94 121.23 2a55 s ASN 57 Ca 0.00 -0.51 -0.17 0.00 -1.57 0.00 0.00 52.86 50.61 2a55 s ASN 57 Cb 0.00 0.02 0.15 0.00 -0.02 0.00 0.00 41.25 41.40 2a55 s ASN 57 CO 0.00 -1.61 0.76 -0.89 -2.57 0.00 0.00 177.10 172.79 2a55 s THR 58 N -2.93 5.15 -0.00 1.60 2.01 -1.26 -4.80 115.64 115.40 2a55 s THR 58 Ca 0.64 -1.69 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 2a55 s THR 58 Cb -0.06 -4.50 -0.00 0.00 0.01 0.00 0.00 72.50 67.94 2a55 s THR 58 CO 0.42 -1.11 0.39 2.19 -0.69 0.00 0.00 174.62 175.82 2a55 h PHE 59 N 8.60 -0.02 -3.55 4.92 -0.00 -1.91 -3.40 116.94 121.57 2a55 h PHE 59 Ca -0.08 -0.00 -0.48 0.00 -0.00 0.00 0.00 57.97 57.41 2a55 h PHE 59 Cb 1.06 0.01 0.05 0.00 -0.00 0.00 0.00 35.95 37.07 2a55 h PHE 59 CO 0.94 -0.01 0.14 0.00 -0.00 0.00 0.00 178.31 179.37 2a55 n ILE 61 N -2.47 0.00 -2.16 0.00 -5.35 0.28 -4.83 119.36 104.83 2a55 n ILE 61 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 2a55 n ILE 61 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a55 n TYR 62 N -0.95 -5.08 -3.15 4.28 4.19 -1.15 -4.74 117.16 110.56 2a55 n TYR 62 Ca 0.00 3.06 0.05 0.00 3.31 0.00 0.00 57.90 64.32 2a55 n TYR 62 Cb 0.00 -3.73 -0.00 0.00 0.49 0.00 0.00 39.34 36.10 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 -0.54 0.38 0.62 2.98 -2.85 -1.26 -4.76 119.74 114.31 2a55 s LYS 63 Ca 0.00 0.38 0.01 0.00 -1.00 0.00 0.00 55.97 55.36 2a55 s LYS 63 Cb 0.00 0.17 0.08 0.00 -2.06 0.00 0.00 37.83 36.02 2a55 s LYS 63 CO 0.00 -0.70 0.87 -0.98 0.10 0.00 0.00 175.35 174.64 2a55 s ARG 64 N 2.89 2.17 0.13 1.78 3.03 -1.26 -3.84 118.95 123.84 2a55 s ARG 64 Ca 0.18 -0.98 0.04 0.00 2.03 0.00 0.00 55.73 57.00 2a55 s ARG 64 Cb -0.07 -2.43 -0.04 0.00 -1.03 0.00 0.00 34.95 31.38 2a55 s ARG 64 CO -0.24 -1.03 0.09 0.00 -1.13 0.00 0.00 175.30 172.99 2a55 s ARG 66 N -2.75 4.21 0.04 0.00 6.06 -1.26 -4.80 118.95 120.44 2a55 s ARG 66 Ca 0.29 2.41 -0.32 0.00 -2.50 0.00 0.00 55.73 55.62 2a55 s ARG 66 Cb -0.11 -3.06 -0.10 0.00 0.06 0.00 0.00 34.95 31.74 2a55 s ARG 66 CO 0.22 -0.47 1.89 0.72 -2.50 0.00 0.00 175.30 175.16 2a55 n HIS 67 N 1.86 2.49 0.22 5.12 8.25 -1.26 -4.81 115.22 127.09 2a55 n HIS 67 Ca 0.06 -0.18 0.17 0.00 -0.26 0.00 0.00 57.72 57.51 2a55 n HIS 67 Cb 0.39 -2.73 0.76 0.00 1.12 0.00 0.00 29.99 29.53 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 9.38 0.00 0.00 -0.41 0.13 -1.98 -3.47 132.00 135.66 2a55 h PRO 68 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2a55 h PRO 68 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2a55 h PRO 68 CO 0.94 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 2a55 n GLY 69 N -1.36 -1.36 3.75 1.56 0.00 -1.26 -4.69 105.19 101.82 2a55 n GLY 69 Ca 0.03 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 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 0.00 4.76 -0.64 1.61 2.56 -1.26 -4.88 118.70 120.85 2a55 s GLU 70 Ca 0.00 1.56 -0.19 0.00 0.00 0.00 0.00 54.97 56.34 2a55 s GLU 70 Cb 0.00 -3.28 0.11 0.00 2.00 0.00 0.00 34.13 32.96 2a55 s GLU 70 CO 0.00 0.36 0.77 -1.17 -0.56 0.00 0.00 175.26 174.66 2a55 s LEU 71 N -0.89 5.35 0.04 2.70 0.20 -1.26 -5.02 118.68 119.80 2a55 s LEU 71 Ca 0.44 -1.53 -0.30 0.00 0.69 0.00 0.00 54.13 53.43 2a55 s LEU 71 Cb -0.27 -2.32 -0.08 0.00 -0.43 0.00 0.00 46.19 43.09 2a55 s LEU 71 CO 0.33 -1.11 1.79 -0.60 -0.29 0.00 0.00 176.35 176.48 2a55 s ARG 72 N 2.66 4.16 -1.10 1.98 3.52 -1.26 -0.67 118.95 128.24 2a55 s ARG 72 Ca 0.15 2.45 -0.02 0.00 -0.13 0.00 0.00 55.73 58.18 2a55 s ARG 72 Cb -0.21 -3.87 0.00 0.00 -1.56 0.00 0.00 34.95 29.32 2a55 s ARG 72 CO 0.04 -0.85 0.93 0.09 -0.81 0.00 0.00 175.30 174.70 2a55 n ASN 73 N 6.58 -2.78 -3.70 -2.12 3.02 -1.26 -4.74 115.26 110.26 2a55 n ASN 73 Ca 0.18 -0.54 0.01 0.00 -0.03 0.00 0.00 54.58 54.20 2a55 n ASN 73 Cb 0.41 -4.63 0.01 0.00 -0.61 0.00 0.00 39.78 34.96 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 -4.04 -0.15 -0.43 7.41 0.00 0.16 -1.72 107.32 108.55 2a55 s GLY 74 Ca 0.10 0.12 0.04 0.00 0.00 0.00 0.00 44.72 44.98 2a55 s GLY 74 CO 0.65 3.76 0.42 1.62 0.00 0.00 0.00 173.10 179.55 2a55 s GLN 75 N -2.16 0.88 -0.27 2.90 2.00 0.23 -4.48 119.66 118.76 2a55 s GLN 75 Ca 0.24 -1.66 -0.39 0.00 -2.00 0.00 0.00 55.36 51.56 2a55 s GLN 75 Cb 0.00 -1.01 -0.15 0.00 0.80 0.00 0.00 33.01 32.66 2a55 s GLN 75 CO -0.00 -1.34 1.83 1.55 -0.50 0.00 0.00 175.29 176.83 2a55 n VAL 76 N 3.13 0.32 -2.02 1.34 3.14 -1.26 -3.60 118.33 119.38 2a55 n VAL 76 Ca 0.24 -0.09 -0.40 0.00 -2.96 0.00 0.00 64.34 61.13 2a55 n VAL 76 Cb 0.49 -1.34 -0.03 0.00 -1.06 0.00 0.00 33.84 31.90 2a55 n VAL 76 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2a55 s GLU 77 N 4.06 2.89 -0.13 1.45 2.56 0.18 -4.96 118.70 124.75 2a55 s GLU 77 Ca 1.00 0.94 -0.00 0.00 0.00 0.00 0.00 54.97 56.91 2a55 s GLU 77 Cb -1.01 -4.31 -0.02 0.00 2.00 0.00 0.00 34.13 30.79 2a55 s GLU 77 CO 0.62 -2.40 -0.13 0.42 -0.56 0.00 0.00 175.26 173.22 2a55 s ILE 78 N 8.28 3.09 0.00 -3.70 -1.09 -1.26 -3.77 121.20 122.75 2a55 s ILE 78 Ca 0.72 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 2a55 s ILE 78 Cb -0.16 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.42 2a55 s ILE 78 CO 0.26 0.53 0.44 2.29 -1.23 0.00 0.00 174.94 177.23 2a55 n LYS 79 N 3.45 0.00 0.00 2.79 0.00 -1.26 -4.93 118.16 118.21 2a55 n LYS 79 Ca -0.18 -0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.07 2a55 n LYS 79 Cb 0.53 0.04 0.00 0.00 -0.00 0.00 0.00 35.03 35.60 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 0.00 0.00 -0.87 0.58 -2.24 -1.26 -4.97 114.28 105.51 2a55 n THR 80 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2a55 n THR 80 Cb 0.42 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 2a55 n THR 80 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2a55 n ASP 81 N 0.00 -5.21 -2.89 3.42 8.00 -1.26 -1.08 116.55 117.53 2a55 n ASP 81 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2a55 n ASP 81 Cb 0.46 -3.12 0.07 0.00 -0.02 0.00 0.00 41.12 38.51 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 -3.88 -1.01 0.64 7.99 -1.26 -4.52 117.00 114.96 2a55 n LEU 82 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 56.01 55.50 2a55 n LEU 82 Cb 0.43 -2.57 0.00 0.00 -0.11 0.00 0.00 43.42 41.17 2a55 n LEU 82 CO 0.00 0.25 0.38 -1.20 -1.51 0.00 0.00 177.39 175.31 2a55 n SER 83 N -2.71 2.28 -1.80 -1.43 7.64 -0.24 -1.09 113.62 116.27 2a55 n SER 83 Ca -0.19 -1.51 0.00 0.00 1.01 0.00 0.00 58.87 58.19 2a55 n SER 83 Cb 0.62 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2a55 n SER 83 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2a55 n PHE 84 N 0.65 -4.35 -1.22 1.43 7.35 -1.25 -4.62 117.46 115.45 2a55 n PHE 84 Ca 0.00 2.29 0.00 0.00 -0.76 0.00 0.00 57.45 58.98 2a55 n PHE 84 Cb 0.37 -3.38 0.00 0.00 0.35 0.00 0.00 39.48 36.82 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2a55 n GLY 85 N -0.00 0.47 3.43 7.13 0.00 -0.59 -4.97 105.19 110.65 2a55 n GLY 85 Ca 0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 2.73 -0.09 1.61 0.01 -1.26 -4.91 113.70 108.89 2a55 s SER 86 Ca 0.00 -1.20 0.02 0.00 1.31 0.00 0.00 55.95 56.08 2a55 s SER 86 Cb 0.00 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 2a55 s SER 86 CO 0.00 -0.36 -0.17 -1.58 0.41 0.00 0.00 173.24 171.55 2a55 s GLN 87 N -3.74 3.00 -0.19 12.44 -0.44 -1.26 -1.75 119.66 127.71 2a55 s GLN 87 Ca 0.30 -0.75 -0.00 0.00 -2.50 0.00 0.00 55.36 52.41 2a55 s GLN 87 Cb 0.04 -2.45 0.05 0.00 -1.64 0.00 0.00 33.01 29.01 2a55 s GLN 87 CO 0.12 0.33 -0.06 0.96 0.50 0.00 0.00 175.29 177.15 2a55 s ILE 88 N 0.01 1.29 1.11 -2.34 -4.36 -0.77 -4.90 121.20 111.23 2a55 s ILE 88 Ca -0.06 -0.85 -0.18 0.00 -0.26 0.00 0.00 60.65 59.30 2a55 s ILE 88 Cb -0.15 -1.49 0.25 0.00 1.25 0.00 0.00 42.46 42.33 2a55 s ILE 88 CO 0.05 0.05 1.17 -1.61 0.24 0.00 0.00 174.94 174.84 2a55 s GLU 89 N 1.54 -0.50 -0.02 0.37 2.02 -1.25 -2.79 118.70 118.07 2a55 s GLU 89 Ca -0.01 -0.14 -0.06 0.00 0.02 0.00 0.00 54.97 54.78 2a55 s GLU 89 Cb -0.16 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.38 2a55 s GLU 89 CO -0.07 -3.22 0.13 -0.06 0.02 0.00 0.00 175.26 172.05 2a55 s PHE 90 N -3.28 -0.02 -0.09 1.61 0.40 -1.14 0.48 117.98 115.94 2a55 s PHE 90 Ca 0.71 0.04 -0.01 0.00 -0.60 0.00 0.00 56.93 57.08 2a55 s PHE 90 Cb -0.08 -0.02 0.03 0.00 0.51 0.00 0.00 43.02 43.45 2a55 s PHE 90 CO 0.55 -0.20 -0.03 -1.12 0.70 0.00 0.00 175.22 175.12 2a55 s SER 91 N -0.81 1.86 -0.20 1.36 0.01 -1.24 -4.92 113.70 109.77 2a55 s SER 91 Ca -0.09 -0.19 -0.25 0.00 1.31 0.00 0.00 55.95 56.74 2a55 s SER 91 Cb -0.05 -0.62 -0.01 0.00 0.21 0.00 0.00 66.02 65.55 2a55 s SER 91 CO 0.01 -0.16 0.82 0.00 0.41 0.00 0.00 173.24 174.32 2a55 n SER 93 N 5.50 -2.63 -4.36 0.00 7.64 -0.70 -4.58 113.62 114.49 2a55 n SER 93 Ca 0.05 -0.04 -0.39 0.00 1.01 0.00 0.00 58.87 59.50 2a55 n SER 93 Cb 0.48 -0.88 0.02 0.00 -1.01 0.00 0.00 64.21 62.82 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 -0.91 0.25 0.00 1.43 2.13 -1.26 -1.12 120.64 121.15 2a55 n GLU 94 Ca 0.01 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2a55 n GLU 94 Cb 0.64 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 31.01 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 2.15 1.53 3.50 8.31 0.00 -1.26 -4.90 105.19 114.52 2a55 n GLY 95 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 2.92 0.43 1.61 0.08 -0.28 0.55 117.98 123.29 2a55 s PHE 96 Ca 0.00 -0.23 0.07 0.00 0.12 0.00 0.00 56.93 56.89 2a55 s PHE 96 Cb 0.00 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 2a55 s PHE 96 CO 0.00 0.09 0.30 -0.59 -0.10 0.00 0.00 175.22 174.92 2a55 s PHE 97 N -0.18 2.54 0.06 0.36 -0.71 -0.69 -3.83 117.98 115.53 2a55 s PHE 97 Ca 0.02 -0.57 -0.15 0.00 -1.04 0.00 0.00 56.93 55.18 2a55 s PHE 97 Cb -0.13 -2.06 -0.06 0.00 -1.21 0.00 0.00 43.02 39.56 2a55 s PHE 97 CO 0.03 -0.04 0.48 -1.17 -1.34 0.00 0.00 175.22 173.18 2a55 s LEU 98 N -4.06 4.45 -0.28 -1.99 0.20 -1.26 -3.00 118.68 112.74 2a55 s LEU 98 Ca 0.44 1.05 -0.01 0.00 0.69 0.00 0.00 54.13 56.30 2a55 s LEU 98 Cb -0.00 -2.87 0.17 0.00 -0.43 0.00 0.00 46.19 43.06 2a55 s LEU 98 CO 0.25 0.25 0.50 -0.63 -0.29 0.00 0.00 176.35 176.43 2a55 s ILE 99 N -1.21 -0.83 0.00 6.68 1.01 -0.99 -4.96 121.20 120.90 2a55 s ILE 99 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2a55 s ILE 99 Cb -0.17 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2a55 s ILE 99 CO 0.17 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.65 2a55 n GLY 100 N 5.40 0.31 0.00 6.18 0.00 -1.26 -1.23 105.19 114.58 2a55 n GLY 100 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2a55 n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a55 n SER 101 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.01 113.62 111.84 2a55 n SER 101 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 2a55 n SER 101 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2a55 n THR 102 N 0.00 1.73 -4.36 2.46 -2.24 -1.26 -4.58 114.28 106.03 2a55 n THR 102 Ca 0.00 0.44 -0.26 0.00 -2.27 0.00 0.00 64.05 61.96 2a55 n THR 102 Cb 0.00 -1.37 -0.10 0.00 -2.10 0.00 0.00 70.33 66.76 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a55 s THR 103 N -3.01 2.87 -0.17 4.28 -4.23 -1.26 -2.87 115.64 111.25 2a55 s THR 103 Ca 0.02 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.53 2a55 s THR 103 Cb 0.02 -2.45 0.08 0.00 1.34 0.00 0.00 72.50 71.50 2a55 s THR 103 CO 0.07 -0.22 0.24 -0.55 -0.54 0.00 0.00 174.62 173.63 2a55 s SER 104 N -3.07 0.89 -0.14 3.99 0.15 -1.12 -4.93 113.70 109.48 2a55 s SER 104 Ca 0.26 0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.90 2a55 s SER 104 Cb -0.07 0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 64.73 2a55 s SER 104 CO 0.14 -0.29 0.33 -0.13 1.20 0.00 0.00 173.24 174.49 2a55 s ARG 105 N 2.37 4.20 -0.39 5.44 0.52 -1.26 -1.84 118.95 128.00 2a55 s ARG 105 Ca 0.05 0.17 -0.28 0.00 -0.52 0.00 0.00 55.73 55.15 2a55 s ARG 105 Cb -0.14 -3.40 0.02 0.00 0.52 0.00 0.00 34.95 31.95 2a55 s ARG 105 CO -0.11 0.29 1.06 0.00 0.02 0.00 0.00 175.30 176.57 2a55 s GLU 107 N 3.89 2.39 -0.04 0.00 2.12 -1.26 -1.55 118.70 124.25 2a55 s GLU 107 Ca 0.45 -1.50 0.01 0.00 0.36 0.00 0.00 54.97 54.29 2a55 s GLU 107 Cb -0.10 -2.19 0.02 0.00 0.26 0.00 0.00 34.13 32.12 2a55 s GLU 107 CO 0.22 0.17 -0.04 0.08 -0.54 0.00 0.00 175.26 175.15 2a55 s VAL 108 N -2.39 0.50 -0.38 3.70 1.01 -1.26 -0.21 120.40 121.37 2a55 s VAL 108 Ca 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 2a55 s VAL 108 Cb -0.04 -0.53 0.10 0.00 0.00 0.00 0.00 36.38 35.92 2a55 s VAL 108 CO 0.22 0.21 0.13 -1.10 0.00 0.00 0.00 175.10 174.57 2a55 s GLN 109 N 0.86 1.80 3.77 2.72 -0.21 -0.86 -4.80 119.66 122.94 2a55 s GLN 109 Ca -0.11 -1.83 0.00 0.00 0.02 0.00 0.00 55.36 53.44 2a55 s GLN 109 Cb -0.14 -3.42 0.00 0.00 1.00 0.00 0.00 33.01 30.45 2a55 s GLN 109 CO 0.00 -1.00 0.00 -0.25 -2.12 0.00 0.00 175.29 171.92 2a55 n ASP 110 N 4.45 0.00 -0.57 5.90 9.92 -1.26 -2.28 116.55 132.71 2a55 n ASP 110 Ca -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2a55 n ASP 110 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2a55 n ARG 111 N 0.29 0.89 -3.67 -1.24 1.85 -1.26 -4.55 116.66 108.97 2a55 n ARG 111 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.58 2a55 n ARG 111 Cb 0.00 -1.39 -0.16 0.00 -1.05 0.00 0.00 32.46 29.85 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2a55 s GLY 112 N 0.05 0.58 0.34 2.89 0.00 -0.97 -5.12 107.32 105.09 2a55 s GLY 112 Ca 0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 44.72 43.79 2a55 s GLY 112 CO 0.00 1.62 1.10 -0.62 0.00 0.00 0.00 173.10 175.20 2a55 n VAL 113 N 5.14 2.10 -3.52 1.40 0.31 -1.26 -2.02 118.33 120.48 2a55 n VAL 113 Ca -0.07 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.47 2a55 n VAL 113 Cb 0.47 -1.23 -0.12 0.00 -0.91 0.00 0.00 33.84 32.05 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2a55 s GLY 114 N -0.52 1.12 0.76 2.92 0.00 0.70 -4.72 107.32 107.59 2a55 s GLY 114 Ca 0.59 -2.13 -0.17 0.00 0.00 0.00 0.00 44.72 43.00 2a55 s GLY 114 CO 0.60 1.95 -0.42 0.79 0.00 0.00 0.00 173.10 176.02 2a55 n TRP 115 N 3.77 -3.92 -0.09 1.90 5.03 -1.26 -4.20 117.44 118.67 2a55 n TRP 115 Ca 0.13 0.21 -0.12 0.00 3.03 0.00 0.00 57.50 60.74 2a55 n TRP 115 Cb 0.37 -1.57 -0.10 0.00 -1.03 0.00 0.00 31.31 28.98 2a55 n TRP 115 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 2a55 n SER 116 N 2.80 2.26 -3.64 -0.99 3.41 -1.26 -4.91 113.62 111.28 2a55 n SER 116 Ca 0.03 -0.08 -0.11 0.00 -0.26 0.00 0.00 58.87 58.45 2a55 n SER 116 Cb 0.52 -0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 2a55 n SER 116 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2a55 s HIS 117 N -2.38 -0.86 0.00 7.33 5.65 -1.26 -5.13 115.29 118.64 2a55 s HIS 117 Ca -0.22 1.91 0.00 0.00 0.25 0.00 0.00 55.06 57.00 2a55 s HIS 117 Cb 0.06 0.39 0.00 0.00 -1.18 0.00 0.00 32.58 31.86 2a55 s HIS 117 CO 0.48 -0.42 0.00 -0.35 -0.65 0.00 0.00 174.74 173.80 2a55 n PRO 118 N 3.36 2.78 -1.33 2.88 -0.04 -1.26 -4.87 135.00 136.52 2a55 n PRO 118 Ca -0.17 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.90 2a55 n PRO 118 Cb 0.57 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 -2.04 0.00 1.53 7.99 -1.26 -4.97 117.00 118.25 2a55 n LEU 119 Ca 0.00 0.72 0.00 0.00 -0.01 0.00 0.00 56.01 56.72 2a55 n LEU 119 Cb 0.00 -0.96 0.00 0.00 -0.11 0.00 0.00 43.42 42.35 2a55 n LEU 119 CO 0.00 -4.07 0.00 -0.81 -1.51 0.00 0.00 177.39 171.00 2a55 n PRO 120 N 0.98 1.16 -3.83 3.23 -0.04 -1.26 -5.02 135.00 130.21 2a55 n PRO 120 Ca 0.10 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.20 2a55 n PRO 120 Cb 0.46 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.78 2a55 n PRO 120 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2a55 s GLN 121 N -0.30 3.16 -0.44 0.54 -0.21 -0.37 -4.94 119.66 117.11 2a55 s GLN 121 Ca 0.00 -0.79 -0.15 0.00 0.02 0.00 0.00 55.36 54.44 2a55 s GLN 121 Cb 0.00 -3.21 0.04 0.00 1.00 0.00 0.00 33.01 30.84 2a55 s GLN 121 CO 0.00 -0.35 0.34 0.00 -2.12 0.00 0.00 175.29 173.16 2a55 s GLU 123 N 1.66 1.35 0.52 0.00 2.56 -1.16 -4.87 118.70 118.75 2a55 s GLU 123 Ca 0.05 -0.99 -0.23 0.00 0.00 0.00 0.00 54.97 53.80 2a55 s GLU 123 Cb -0.21 -1.50 -0.06 0.00 2.00 0.00 0.00 34.13 34.36 2a55 s GLU 123 CO 0.08 0.38 1.34 1.51 -0.56 0.00 0.00 175.26 178.01 2a55 n ILE 124 N 1.71 3.49 0.00 -3.70 0.13 -1.26 -1.70 119.36 118.03 2a55 n ILE 124 Ca -0.18 -0.50 0.00 0.00 -1.10 0.00 0.00 62.75 60.97 2a55 n ILE 124 Cb 0.53 -1.66 0.00 0.00 -0.84 0.00 0.00 39.64 37.67 2a55 n ILE 124 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2a55 n LEU 125 N -0.70 0.00 0.00 9.51 -0.00 0.19 -4.87 117.00 121.14 2a55 n LEU 125 Ca 0.09 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 2a55 n LEU 125 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 2a55 n LEU 125 CO 0.55 0.00 0.06 1.21 -0.00 0.00 0.00 177.39 179.21 2a55 n GLU 126 N -0.98 0.00 -3.30 1.47 4.07 -1.25 -4.89 120.64 115.76 2a55 n GLU 126 Ca 0.00 0.30 -0.35 0.00 -0.06 0.00 0.00 57.16 57.05 2a55 n GLU 126 Cb 0.00 -0.87 -0.06 0.00 -0.06 0.00 0.00 31.44 30.45 2a55 n GLU 126 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2a55 s HIS 127 N -0.84 3.57 -0.00 4.31 2.46 -1.26 -5.03 115.29 118.50 2a55 s HIS 127 Ca 0.00 1.11 -0.10 0.00 0.47 0.00 0.00 55.06 56.54 2a55 s HIS 127 Cb 0.00 -2.41 -0.06 0.00 -0.13 0.00 0.00 32.58 29.98 2a55 s HIS 127 CO 0.00 0.37 0.77 1.25 -2.47 0.00 0.00 174.74 174.65 2a55 h HIS 128 N 3.31 -0.33 -3.60 3.88 2.76 -1.95 -3.46 115.15 115.77 2a55 h HIS 128 Ca -0.48 -0.01 -0.54 0.00 -2.20 0.00 0.00 60.37 57.15 2a55 h HIS 128 Cb 1.19 0.11 0.20 0.00 1.55 0.00 0.00 27.41 30.46 2a55 h HIS 128 CO 0.64 -0.21 -0.32 0.72 -1.30 0.00 0.00 177.93 177.47 2a55 n HIS 129 N -3.42 -0.68 -0.41 5.26 8.25 -1.26 -4.95 115.22 118.02 2a55 n HIS 129 Ca -0.04 0.30 0.04 0.00 -0.26 0.00 0.00 57.72 57.75 2a55 n HIS 129 Cb 0.14 -1.88 0.06 0.00 1.12 0.00 0.00 29.99 29.43 2a55 n HIS 129 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2a55 n HIS 130 N -3.45 0.03 -3.50 4.41 1.44 -1.26 -5.04 115.22 107.85 2a55 n HIS 130 Ca 0.09 -0.69 -0.32 0.00 -2.01 0.00 0.00 57.72 54.79 2a55 n HIS 130 Cb 0.52 -0.09 -0.05 0.00 0.12 0.00 0.00 29.99 30.49 2a55 n HIS 130 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2a55 s HIS 131 N -1.71 3.48 -2.88 -1.40 3.76 -1.26 -5.19 115.29 110.08 2a55 s HIS 131 Ca 0.13 0.79 0.25 0.00 -0.15 0.00 0.00 55.06 56.08 2a55 s HIS 131 Cb 0.11 -2.19 0.39 0.00 1.11 0.00 0.00 32.58 32.00 2a55 s HIS 131 CO 0.02 0.36 1.37 1.58 -0.85 0.00 0.00 174.74 177.22