#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 4.81 0.00 6.12 -0.87 -1.26 -4.07 114.94 119.67 2a55 s ASN 1 Ca 0.00 -0.52 0.26 0.00 -1.57 0.00 0.00 52.86 51.03 2a55 s ASN 1 Cb 0.00 -1.00 0.73 0.00 -0.02 0.00 0.00 41.25 40.95 2a55 s ASN 1 CO 0.00 -0.00 1.55 0.00 -2.57 0.00 0.00 177.10 176.08 2a55 n GLY 3 N 1.36 -0.85 3.58 0.00 0.00 -1.26 -4.23 105.19 103.80 2a55 n GLY 3 Ca 0.11 -1.54 -0.56 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.33 0.64 -1.60 1.61 -0.02 -1.23 -4.80 135.00 129.27 2a55 n PRO 4 Ca 0.00 0.23 -0.40 0.00 -2.02 0.00 0.00 63.50 61.31 2a55 n PRO 4 Cb 0.00 -1.82 0.03 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.53 1.15 -1.80 0.52 -0.02 -1.26 -5.01 135.00 131.10 2a55 n PRO 5 Ca 0.21 0.42 -0.20 0.00 -2.02 0.00 0.00 63.50 61.91 2a55 n PRO 5 Cb 0.13 -2.05 0.12 0.00 -0.02 0.00 0.00 33.50 31.68 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 -0.20 -0.44 -3.61 0.52 -0.05 -1.26 -5.08 135.00 124.89 2a55 n PRO 6 Ca 0.11 -1.85 -0.36 0.00 -0.05 0.00 0.00 63.50 61.35 2a55 n PRO 6 Cb 0.42 -0.76 -0.07 0.00 -0.05 0.00 0.00 33.50 33.04 2a55 n PRO 6 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 175.50 175.37 2a55 s THR 7 N -2.75 5.34 0.14 0.52 -1.32 -1.26 -5.09 115.64 111.22 2a55 s THR 7 Ca 0.54 0.44 0.00 0.00 -1.21 0.00 0.00 61.69 61.47 2a55 s THR 7 Cb -0.02 -3.58 0.00 0.00 -1.51 0.00 0.00 72.50 67.39 2a55 s THR 7 CO 0.37 0.42 0.04 0.18 -2.21 0.00 0.00 174.62 173.42 2a55 n LEU 8 N 3.39 0.00 0.00 9.08 4.32 -1.26 -5.08 117.00 127.45 2a55 n LEU 8 Ca -0.14 -0.83 0.00 0.00 -0.02 0.00 0.00 56.01 55.02 2a55 n LEU 8 Cb 0.52 0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 2a55 n LEU 8 CO 0.38 -0.19 -0.21 -1.20 -1.22 0.00 0.00 177.39 174.95 2a55 n SER 9 N -1.37 1.14 0.20 -1.43 7.64 -1.26 -4.75 113.62 113.78 2a55 n SER 9 Ca -0.04 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.98 2a55 n SER 9 Cb 0.17 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 64.05 2a55 n SER 9 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2a55 h PHE 10 N 0.00 0.00 -3.37 1.43 0.04 -1.93 -3.41 116.94 109.70 2a55 h PHE 10 Ca 0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 2a55 h PHE 10 Cb 0.42 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.42 2a55 h PHE 10 CO 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 178.31 177.53 2a55 s ALA 11 N -3.60 -0.75 0.05 2.45 0.00 -1.26 -3.62 121.76 115.04 2a55 s ALA 11 Ca -0.00 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.92 2a55 s ALA 11 Cb 0.09 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 2a55 s ALA 11 CO 0.35 -0.52 -0.08 0.00 0.00 0.00 0.00 175.76 175.51 2a55 s ALA 12 N -3.21 0.65 0.38 0.00 0.00 0.71 -4.47 121.76 115.82 2a55 s ALA 12 Ca -0.00 -0.81 -0.23 0.00 0.00 0.00 0.00 51.96 50.91 2a55 s ALA 12 Cb 0.01 0.03 -0.14 0.00 0.00 0.00 0.00 23.12 23.03 2a55 s ALA 12 CO -0.08 -0.01 0.51 -2.30 0.00 0.00 0.00 175.76 173.89 2a55 n PRO 13 N 1.39 0.48 0.00 0.00 -0.02 -1.26 -0.35 135.00 135.25 2a55 n PRO 13 Ca -0.22 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2a55 n PRO 13 Cb 0.55 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 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 0.77 0.45 -2.75 -0.52 1.56 -1.26 -4.67 117.12 110.70 2a55 n MET 14 Ca 0.12 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.45 2a55 n MET 14 Cb 0.37 -0.18 0.04 0.00 2.15 0.00 0.00 33.22 35.60 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 -0.40 0.41 -3.25 6.12 2.03 -1.26 -4.96 116.55 115.25 2a55 n ASP 15 Ca 0.00 -2.75 -0.03 0.00 0.52 0.00 0.00 54.79 52.52 2a55 n ASP 15 Cb 0.00 -0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 40.31 2a55 n ASP 15 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2a55 s ILE 16 N -2.11 -0.83 -0.23 5.18 2.07 -1.26 -4.53 121.20 119.49 2a55 s ILE 16 Ca 0.27 -0.25 -0.35 0.00 -1.41 0.00 0.00 60.65 58.91 2a55 s ILE 16 Cb 0.42 -0.17 -0.11 0.00 0.13 0.00 0.00 42.46 42.73 2a55 s ILE 16 CO -0.01 -0.15 2.02 0.35 -1.91 0.00 0.00 174.94 175.24 2a55 n THR 17 N 4.37 0.37 0.64 4.00 -2.24 -1.26 -4.76 114.28 115.40 2a55 n THR 17 Ca 0.11 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2a55 n THR 17 Cb 0.54 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 2a55 n THR 17 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2a55 n LEU 18 N 8.32 2.46 0.08 3.22 7.99 -1.26 -3.37 117.00 134.45 2a55 n LEU 18 Ca 0.31 -1.21 0.12 0.00 -0.01 0.00 0.00 56.01 55.21 2a55 n LEU 18 Cb 0.27 -0.43 0.04 0.00 -0.11 0.00 0.00 43.42 43.19 2a55 n LEU 18 CO 0.74 0.42 0.08 0.35 -1.51 0.00 0.00 177.39 177.47 2a55 n THR 19 N 0.72 0.50 -0.66 -5.08 -2.24 -1.26 -4.91 114.28 101.36 2a55 n THR 19 Ca 0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2a55 n THR 19 Cb 0.38 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.46 0.10 0.00 -0.78 -0.58 -1.22 -5.06 120.64 110.64 2a55 n GLU 20 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2a55 n GLU 20 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 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 -1.58 0.00 -4.46 2.62 -2.24 -1.26 -5.12 114.28 102.24 2a55 n THR 21 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 2a55 n THR 21 Cb 0.00 -0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.30 1.64 -0.35 -0.78 0.52 -1.26 -3.53 118.95 113.90 2a55 s ARG 22 Ca 0.00 -1.76 0.02 0.00 -0.52 0.00 0.00 55.73 53.46 2a55 s ARG 22 Cb 0.00 -1.66 0.15 0.00 0.52 0.00 0.00 34.95 33.96 2a55 s ARG 22 CO 0.00 0.29 0.31 -0.06 0.02 0.00 0.00 175.30 175.86 2a55 s PHE 23 N -2.59 -0.01 1.00 -0.53 0.40 -1.26 -5.05 117.98 109.93 2a55 s PHE 23 Ca 0.29 -0.97 -0.21 0.00 -0.60 0.00 0.00 56.93 55.45 2a55 s PHE 23 Cb -0.04 -0.57 -0.16 0.00 0.51 0.00 0.00 43.02 42.76 2a55 s PHE 23 CO 0.14 -0.92 -1.05 0.36 0.70 0.00 0.00 175.22 174.45 2a55 n LYS 24 N 4.36 -0.01 -0.49 0.44 2.85 -1.26 -4.27 118.16 119.78 2a55 n LYS 24 Ca 0.09 -0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.06 2a55 n LYS 24 Cb 0.43 -1.01 0.25 0.00 -0.65 0.00 0.00 35.03 34.05 2a55 n LYS 24 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2a55 s THR 25 N -2.01 2.00 0.00 0.58 -4.23 -1.26 -2.50 115.64 108.23 2a55 s THR 25 Ca 0.39 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 2a55 s THR 25 Cb -0.08 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.75 2a55 s THR 25 CO 0.77 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.46 2a55 n GLY 26 N 0.94 2.10 3.65 3.99 0.00 -0.96 -4.83 105.19 110.08 2a55 n GLY 26 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2a55 n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2a55 n THR 27 N -1.33 2.95 -3.68 2.61 5.66 -1.04 -4.81 114.28 114.63 2a55 n THR 27 Ca 0.00 -0.35 -0.12 0.00 -3.05 0.00 0.00 64.05 60.53 2a55 n THR 27 Cb 0.00 -1.19 -0.12 0.00 -1.55 0.00 0.00 70.33 67.47 2a55 n THR 27 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2a55 s THR 28 N -1.83 -0.33 0.57 1.09 2.01 -1.25 -3.28 115.64 112.63 2a55 s THR 28 Ca 0.75 0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.91 2a55 s THR 28 Cb -0.34 -0.47 0.12 0.00 0.01 0.00 0.00 72.50 71.82 2a55 s THR 28 CO 0.49 0.09 0.78 0.18 -0.69 0.00 0.00 174.62 175.47 2a55 n LEU 29 N 5.01 0.00 0.00 4.42 4.77 -0.61 -4.88 117.00 125.71 2a55 n LEU 29 Ca -0.12 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 2a55 n LEU 29 Cb 0.51 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2a55 n LEU 29 CO 0.05 -0.98 0.00 1.17 -1.33 0.00 0.00 177.39 176.30 2a55 n LYS 30 N -2.56 0.00 -1.39 3.23 3.00 -1.26 -4.16 118.16 115.03 2a55 n LYS 30 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 2a55 n LYS 30 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 35.03 35.35 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2a55 n TYR 31 N -1.58 -3.70 -4.92 5.64 4.02 -1.25 -4.17 117.16 111.20 2a55 n TYR 31 Ca 0.00 1.94 -0.30 0.00 -0.01 0.00 0.00 57.90 59.53 2a55 n TYR 31 Cb 0.00 -3.15 -0.15 0.00 -0.02 0.00 0.00 39.34 36.03 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 -2.44 2.22 -0.16 -0.72 -1.32 0.53 -4.76 115.64 108.99 2a55 s THR 32 Ca 0.00 -1.33 -0.23 0.00 -1.21 0.00 0.00 61.69 58.92 2a55 s THR 32 Cb 0.00 -1.86 -0.02 0.00 -1.51 0.00 0.00 72.50 69.10 2a55 s THR 32 CO 0.00 0.39 0.73 0.00 -2.21 0.00 0.00 174.62 173.52 2a55 n LEU 34 N 4.88 -1.96 -4.59 0.00 4.77 -1.25 -4.84 117.00 114.01 2a55 n LEU 34 Ca 0.01 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 2a55 n LEU 34 Cb 0.50 -0.98 -0.02 0.00 -2.33 0.00 0.00 43.42 40.58 2a55 n LEU 34 CO 0.46 -3.34 1.36 -2.84 -1.33 0.00 0.00 177.39 171.71 2a55 s PRO 35 N -3.32 3.35 0.00 3.23 0.02 -1.26 -3.55 135.00 133.47 2a55 s PRO 35 Ca 0.54 0.94 0.00 0.00 0.02 0.00 0.00 61.00 62.50 2a55 s PRO 35 Cb -0.13 -4.13 0.00 0.00 0.02 0.00 0.00 34.50 30.26 2a55 s PRO 35 CO 0.67 -1.85 0.00 0.41 -0.33 0.00 0.00 177.00 175.90 2a55 n GLY 36 N 5.28 0.32 3.85 0.52 0.00 -1.26 -5.09 105.19 108.81 2a55 n GLY 36 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 3.53 0.00 1.61 1.51 -1.23 -1.25 117.35 121.51 2a55 s TYR 37 Ca 0.00 1.07 0.00 0.00 -1.01 0.00 0.00 57.07 57.13 2a55 s TYR 37 Cb 0.00 -2.39 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 2a55 s TYR 37 CO 0.00 0.33 0.00 1.33 -1.11 0.00 0.00 175.55 176.10 2a55 n VAL 38 N 0.37 0.00 -0.97 0.71 0.24 0.19 -4.79 118.33 114.08 2a55 n VAL 38 Ca -0.02 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.99 2a55 n VAL 38 Cb 0.52 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.79 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 -3.22 116.66 124.64 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 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 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 6.71 0.00 -4.69 0.55 2.88 -1.26 -4.51 113.62 113.30 2a55 n SER 40 Ca 0.43 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.55 2a55 n SER 40 Cb 0.01 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.44 2a55 n SER 40 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2a55 s HIS 41 N 0.00 2.25 0.00 0.66 -3.43 -1.24 -3.26 115.29 110.26 2a55 s HIS 41 Ca 0.00 0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.30 2a55 s HIS 41 Cb 0.00 -4.16 0.00 0.00 -1.43 0.00 0.00 32.58 26.99 2a55 s HIS 41 CO 0.00 -4.76 0.00 0.45 -2.00 0.00 0.00 174.74 168.43 2a55 n SER 42 N 5.48 0.00 -3.06 7.38 2.88 -1.26 -4.85 113.62 120.19 2a55 n SER 42 Ca 0.17 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.74 2a55 n SER 42 Cb 0.38 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.84 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 -0.63 -0.99 2.46 2.01 -1.26 -5.08 115.64 112.15 2a55 s THR 43 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 2a55 s THR 43 Cb 0.00 -0.23 0.25 0.00 0.01 0.00 0.00 72.50 72.52 2a55 s THR 43 CO 0.00 0.00 0.95 0.00 -0.69 0.00 0.00 174.62 174.88 2a55 n GLN 44 N 4.52 3.08 -3.74 4.92 6.02 -1.26 -4.43 117.38 126.49 2a55 n GLN 44 Ca 0.08 -4.48 -0.13 0.00 -0.01 0.00 0.00 57.00 52.45 2a55 n GLN 44 Cb 0.58 -2.46 -0.09 0.00 1.02 0.00 0.00 30.24 29.29 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2a55 s THR 45 N -1.47 0.04 -0.25 5.09 -4.23 -1.26 -4.50 115.64 109.06 2a55 s THR 45 Ca 0.29 -0.31 -0.03 0.00 -1.18 0.00 0.00 61.69 60.47 2a55 s THR 45 Cb -0.07 -0.61 0.01 0.00 1.34 0.00 0.00 72.50 73.17 2a55 s THR 45 CO -0.09 -0.17 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.03 2a55 s LEU 46 N -0.86 3.18 0.02 4.79 1.43 -1.26 -4.85 118.68 121.12 2a55 s LEU 46 Ca -0.09 -0.67 0.07 0.00 -1.03 0.00 0.00 54.13 52.41 2a55 s LEU 46 Cb -0.04 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 2a55 s LEU 46 CO 0.03 -0.10 -0.21 -0.89 0.23 0.00 0.00 176.35 175.42 2a55 s THR 47 N 1.41 2.55 -0.29 5.49 2.01 -1.25 -1.58 115.64 123.99 2a55 s THR 47 Ca 0.03 -1.17 -0.29 0.00 0.31 0.00 0.00 61.69 60.57 2a55 s THR 47 Cb -0.16 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.34 2a55 s THR 47 CO -0.03 0.41 1.05 0.00 -0.69 0.00 0.00 174.62 175.36 2a55 s ASN 49 N 1.50 4.96 -1.41 0.00 2.20 -1.23 -2.27 114.94 118.69 2a55 s ASN 49 Ca 0.44 -0.55 -0.08 0.00 -0.94 0.00 0.00 52.86 51.73 2a55 s ASN 49 Cb -0.13 -0.05 0.07 0.00 -2.00 0.00 0.00 41.25 39.14 2a55 s ASN 49 CO 0.12 -1.41 2.45 -0.24 -2.94 0.00 0.00 177.10 175.08 2a55 n SER 50 N -2.39 7.52 0.00 3.54 2.88 -1.26 -3.40 113.62 120.51 2a55 n SER 50 Ca 0.14 -2.97 0.00 0.00 -1.33 0.00 0.00 58.87 54.71 2a55 n SER 50 Cb 0.61 -1.45 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 -0.67 -1.23 0.00 0.00 175.04 173.14 2a55 n ASP 51 N 2.81 0.00 -1.17 -3.46 -0.08 -1.26 -4.99 116.55 108.40 2a55 n ASP 51 Ca 0.63 -1.00 -0.15 0.00 -1.51 0.00 0.00 54.79 52.75 2a55 n ASP 51 Cb 0.27 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.66 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 1.45 3.38 0.27 0.00 -1.22 -4.94 105.19 104.13 2a55 n GLY 52 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.29 1.45 -0.39 1.61 -1.05 -1.26 -4.46 118.70 111.32 2a55 s GLU 53 Ca 0.00 -1.75 -0.16 0.00 -0.15 0.00 0.00 54.97 52.91 2a55 s GLU 53 Cb 0.00 -0.78 0.01 0.00 -0.44 0.00 0.00 34.13 32.91 2a55 s GLU 53 CO 0.00 -0.09 0.38 -1.58 0.95 0.00 0.00 175.26 174.92 2a55 s TRP 54 N -3.31 3.20 0.09 4.83 0.52 -1.26 -3.47 118.94 119.54 2a55 s TRP 54 Ca 0.31 -0.27 -0.06 0.00 0.02 0.00 0.00 56.10 56.10 2a55 s TRP 54 Cb 0.06 -2.74 -0.05 0.00 -1.15 0.00 0.00 33.47 29.59 2a55 s TRP 54 CO 0.11 -0.56 0.34 0.08 0.02 0.00 0.00 176.95 176.93 2a55 s VAL 55 N 1.99 5.21 0.00 4.03 1.01 -1.24 -5.01 120.40 126.39 2a55 s VAL 55 Ca 0.10 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2a55 s VAL 55 Cb -0.17 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2a55 s VAL 55 CO 0.12 0.18 0.00 0.00 0.00 0.00 0.00 175.10 175.40 2a55 n TYR 56 N 0.51 0.00 -3.07 5.22 4.11 -1.26 -4.10 117.16 118.57 2a55 n TYR 56 Ca -0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.69 2a55 n TYR 56 Cb 0.52 0.00 0.05 0.00 -0.00 0.00 0.00 39.34 39.91 2a55 n TYR 56 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 2a55 n ASN 57 N 0.00 1.68 -4.43 9.48 3.02 -1.26 -5.03 115.26 118.71 2a55 n ASN 57 Ca 0.00 -2.21 -0.44 0.00 -0.03 0.00 0.00 54.58 51.90 2a55 n ASN 57 Cb 0.00 -0.31 -0.00 0.00 -0.61 0.00 0.00 39.78 38.85 2a55 n ASN 57 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2a55 s THR 58 N -1.81 5.22 0.03 3.41 2.01 -1.26 -5.01 115.64 118.23 2a55 s THR 58 Ca 0.46 -2.70 -0.29 0.00 0.31 0.00 0.00 61.69 59.46 2a55 s THR 58 Cb -0.04 -4.83 -0.04 0.00 0.01 0.00 0.00 72.50 67.61 2a55 s THR 58 CO 0.29 -1.51 0.95 0.72 -0.69 0.00 0.00 174.62 174.39 2a55 s PHE 59 N 1.05 3.70 0.25 4.92 -0.12 -1.26 -4.74 117.98 121.78 2a55 s PHE 59 Ca 0.39 1.70 0.00 0.00 -0.05 0.00 0.00 56.93 58.96 2a55 s PHE 59 Cb -0.05 -3.08 0.00 0.00 -0.63 0.00 0.00 43.02 39.27 2a55 s PHE 59 CO -0.03 0.06 0.00 0.00 -0.05 0.00 0.00 175.22 175.20 2a55 s ILE 61 N -1.17 1.63 -0.09 0.00 -4.36 -1.20 -4.85 121.20 111.16 2a55 s ILE 61 Ca 0.00 -0.68 -0.30 0.00 -0.26 0.00 0.00 60.65 59.42 2a55 s ILE 61 Cb 0.00 -1.51 -0.05 0.00 1.25 0.00 0.00 42.46 42.15 2a55 s ILE 61 CO 0.00 0.47 1.63 -0.47 0.24 0.00 0.00 174.94 176.81 2a55 s TYR 62 N 1.39 2.05 -0.29 1.37 6.14 -1.26 -0.63 117.35 126.11 2a55 s TYR 62 Ca 0.03 0.31 -0.10 0.00 0.64 0.00 0.00 57.07 57.96 2a55 s TYR 62 Cb -0.13 -3.89 0.13 0.00 0.42 0.00 0.00 41.96 38.48 2a55 s TYR 62 CO -0.10 -3.56 0.63 -1.59 0.64 0.00 0.00 175.55 171.57 2a55 s LYS 63 N 4.12 0.56 0.09 4.97 -2.85 -0.38 -4.93 119.74 121.32 2a55 s LYS 63 Ca 0.72 1.42 0.01 0.00 -1.00 0.00 0.00 55.97 57.12 2a55 s LYS 63 Cb -0.31 0.83 -0.00 0.00 -2.06 0.00 0.00 37.83 36.29 2a55 s LYS 63 CO 0.28 -0.21 0.02 2.89 0.10 0.00 0.00 175.35 178.43 2a55 n ARG 64 N 5.45 1.14 -4.58 1.78 1.85 -1.26 -2.10 116.66 118.93 2a55 n ARG 64 Ca -0.11 -0.70 -0.25 0.00 -1.00 0.00 0.00 57.85 55.78 2a55 n ARG 64 Cb 0.49 0.32 -0.17 0.00 -1.05 0.00 0.00 32.46 32.05 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 3.87 1.06 -1.58 0.00 3.00 -1.26 -4.71 116.66 117.04 2a55 n ARG 66 Ca -0.22 0.38 -0.55 0.00 -0.00 0.00 0.00 57.85 57.46 2a55 n ARG 66 Cb 0.52 -1.72 -0.07 0.00 0.00 0.00 0.00 32.46 31.19 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 -0.13 1.34 -0.34 -0.14 -0.00 -1.26 -4.81 115.22 109.88 2a55 n HIS 67 Ca 0.11 0.76 0.21 0.00 -0.00 0.00 0.00 57.72 58.79 2a55 n HIS 67 Cb 0.34 -2.28 0.45 0.00 -0.00 0.00 0.00 29.99 28.50 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2a55 h PRO 68 N 4.39 0.45 0.00 1.57 0.13 -1.98 -3.48 132.00 133.08 2a55 h PRO 68 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2a55 h PRO 68 Cb 1.36 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2a55 h PRO 68 CO 0.77 0.30 0.00 0.41 -0.23 0.00 0.00 178.00 179.24 2a55 n GLY 69 N -1.38 0.72 3.72 1.56 0.00 -1.26 -4.47 105.19 104.09 2a55 n GLY 69 Ca 0.27 -2.24 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.02 4.65 -0.68 1.61 2.12 -1.26 -4.88 118.70 119.24 2a55 s GLU 70 Ca 0.00 1.43 -0.18 0.00 0.36 0.00 0.00 54.97 56.58 2a55 s GLU 70 Cb 0.00 -3.40 0.12 0.00 0.26 0.00 0.00 34.13 31.11 2a55 s GLU 70 CO 0.00 0.14 0.79 -1.17 -0.54 0.00 0.00 175.26 174.47 2a55 s LEU 71 N 0.30 5.53 0.05 2.70 0.20 -1.26 -5.00 118.68 121.20 2a55 s LEU 71 Ca 0.48 -1.72 -0.30 0.00 0.69 0.00 0.00 54.13 53.28 2a55 s LEU 71 Cb -0.23 -2.31 -0.08 0.00 -0.43 0.00 0.00 46.19 43.15 2a55 s LEU 71 CO 0.29 -1.03 1.79 -0.60 -0.29 0.00 0.00 176.35 176.50 2a55 s ARG 72 N 2.33 4.16 -0.97 1.98 3.52 -1.26 -0.51 118.95 128.20 2a55 s ARG 72 Ca 0.16 2.44 -0.02 0.00 -0.13 0.00 0.00 55.73 58.19 2a55 s ARG 72 Cb -0.19 -3.85 0.00 0.00 -1.56 0.00 0.00 34.95 29.36 2a55 s ARG 72 CO 0.01 -0.85 0.82 0.09 -0.81 0.00 0.00 175.30 174.57 2a55 n ASN 73 N 6.51 -2.91 -3.57 -2.12 3.02 -1.26 -4.66 115.26 110.28 2a55 n ASN 73 Ca 0.18 -0.47 -0.01 0.00 -0.03 0.00 0.00 54.58 54.25 2a55 n ASN 73 Cb 0.41 -4.10 0.01 0.00 -0.61 0.00 0.00 39.78 35.49 2a55 n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2a55 s GLY 74 N -3.85 -0.07 -0.02 7.41 0.00 0.33 -3.14 107.32 107.99 2a55 s GLY 74 Ca 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.82 2a55 s GLY 74 CO 0.57 2.69 -0.07 1.62 0.00 0.00 0.00 173.10 177.91 2a55 s GLN 75 N -2.29 0.70 -0.40 2.90 0.74 0.26 -4.56 119.66 117.01 2a55 s GLN 75 Ca 0.22 -0.23 -0.11 0.00 0.05 0.00 0.00 55.36 55.30 2a55 s GLN 75 Cb -0.01 -0.68 0.05 0.00 1.10 0.00 0.00 33.01 33.47 2a55 s GLN 75 CO 0.02 0.09 0.24 0.08 -0.55 0.00 0.00 175.29 175.17 2a55 s VAL 76 N 0.15 4.47 -0.73 1.34 1.01 -1.26 -1.35 120.40 124.03 2a55 s VAL 76 Ca -0.02 -1.08 -0.26 0.00 0.00 0.00 0.00 61.98 60.62 2a55 s VAL 76 Cb -0.07 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.72 2a55 s VAL 76 CO -0.00 -0.36 1.58 -0.70 0.00 0.00 0.00 175.10 175.63 2a55 s GLU 77 N 1.51 2.95 -0.14 2.72 2.56 -0.23 -4.97 118.70 123.10 2a55 s GLU 77 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.97 54.96 2a55 s GLU 77 Cb -0.21 -4.46 -0.03 0.00 2.00 0.00 0.00 34.13 31.43 2a55 s GLU 77 CO 0.05 -2.50 -0.04 0.42 -0.56 0.00 0.00 175.26 172.63 2a55 s ILE 78 N 7.36 3.87 0.00 -3.70 -1.09 -1.26 -4.12 121.20 122.25 2a55 s ILE 78 Ca 0.52 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 2a55 s ILE 78 Cb -0.09 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 38.12 2a55 s ILE 78 CO 0.13 0.51 0.52 2.29 -1.23 0.00 0.00 174.94 177.16 2a55 n LYS 79 N 3.29 0.00 -0.01 2.79 0.00 -1.26 -4.92 118.16 118.05 2a55 n LYS 79 Ca -0.18 -0.20 0.00 0.00 -0.00 0.00 0.00 58.31 57.94 2a55 n LYS 79 Cb 0.53 0.12 0.00 0.00 -0.00 0.00 0.00 35.03 35.67 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 -0.98 0.58 -2.24 -1.26 -4.97 114.28 105.41 2a55 n THR 80 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2a55 n THR 80 Cb 0.47 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 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 -5.75 -2.64 3.42 8.00 -1.26 -1.69 116.55 116.63 2a55 n ASP 81 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 2a55 n ASP 81 Cb 0.50 -3.45 0.05 0.00 -0.02 0.00 0.00 41.12 38.20 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 -3.92 -4.71 0.64 7.99 -1.26 -4.62 117.00 111.12 2a55 n LEU 82 Ca 0.00 -0.44 -0.38 0.00 -0.01 0.00 0.00 56.01 55.18 2a55 n LEU 82 Cb 0.48 -2.28 -0.06 0.00 -0.11 0.00 0.00 43.42 41.45 2a55 n LEU 82 CO 0.00 0.15 0.14 -0.94 -1.51 0.00 0.00 177.39 175.23 2a55 s SER 83 N -3.56 6.60 0.07 -1.43 1.04 -0.68 0.17 113.70 115.91 2a55 s SER 83 Ca 0.16 0.72 -0.17 0.00 0.48 0.00 0.00 55.95 57.14 2a55 s SER 83 Cb -0.02 -2.26 -0.10 0.00 0.10 0.00 0.00 66.02 63.74 2a55 s SER 83 CO 0.49 -0.01 0.37 0.33 0.98 0.00 0.00 173.24 175.40 2a55 n PHE 84 N 3.86 -0.08 -2.32 5.02 7.35 -0.89 -2.84 117.46 127.57 2a55 n PHE 84 Ca -0.08 0.53 0.00 0.00 -0.76 0.00 0.00 57.45 57.15 2a55 n PHE 84 Cb 0.51 -1.07 0.00 0.00 0.35 0.00 0.00 39.48 39.28 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 0.99 0.88 3.06 7.13 0.00 -1.03 -4.92 105.19 111.29 2a55 n GLY 85 Ca 0.10 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 2a55 n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a55 s SER 86 N -2.96 0.85 -0.11 1.61 1.04 -1.13 -4.95 113.70 108.06 2a55 s SER 86 Ca 0.00 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.89 2a55 s SER 86 Cb 0.00 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 2a55 s SER 86 CO 0.00 -0.21 -0.16 -1.58 0.98 0.00 0.00 173.24 172.27 2a55 s GLN 87 N -1.62 3.12 -0.30 4.02 -0.44 -1.25 -2.61 119.66 120.59 2a55 s GLN 87 Ca -0.10 -0.74 0.02 0.00 -2.50 0.00 0.00 55.36 52.04 2a55 s GLN 87 Cb -0.10 -2.49 0.09 0.00 -1.64 0.00 0.00 33.01 28.87 2a55 s GLN 87 CO 0.00 0.28 0.01 0.96 0.50 0.00 0.00 175.29 177.05 2a55 s ILE 88 N 0.15 1.88 0.65 -2.34 -4.36 -0.87 -4.89 121.20 111.42 2a55 s ILE 88 Ca -0.09 -1.86 -0.16 0.00 -0.26 0.00 0.00 60.65 58.28 2a55 s ILE 88 Cb -0.15 -2.28 -0.00 0.00 1.25 0.00 0.00 42.46 41.27 2a55 s ILE 88 CO 0.05 -0.43 1.13 -1.61 0.24 0.00 0.00 174.94 174.33 2a55 s GLU 89 N 1.15 2.78 0.53 0.37 2.02 -1.25 -3.54 118.70 120.76 2a55 s GLU 89 Ca 0.04 1.51 0.03 0.00 0.02 0.00 0.00 54.97 56.57 2a55 s GLU 89 Cb -0.19 -1.94 0.01 0.00 0.10 0.00 0.00 34.13 32.12 2a55 s GLU 89 CO -0.10 -1.29 0.19 -0.06 0.02 0.00 0.00 175.26 174.02 2a55 s PHE 90 N -2.16 1.71 -0.30 1.61 0.08 -1.10 -1.07 117.98 116.75 2a55 s PHE 90 Ca 0.70 -0.92 -0.06 0.00 0.12 0.00 0.00 56.93 56.76 2a55 s PHE 90 Cb -0.23 -1.74 0.16 0.00 -0.57 0.00 0.00 43.02 40.65 2a55 s PHE 90 CO 0.39 -0.11 0.68 -1.12 -0.10 0.00 0.00 175.22 174.96 2a55 s SER 91 N -4.07 -1.18 -0.29 1.36 0.01 -0.46 -4.89 113.70 104.18 2a55 s SER 91 Ca 0.17 1.10 -0.24 0.00 1.31 0.00 0.00 55.95 58.29 2a55 s SER 91 Cb -0.00 2.13 -0.00 0.00 0.21 0.00 0.00 66.02 68.36 2a55 s SER 91 CO 0.11 -0.22 0.81 0.00 0.41 0.00 0.00 173.24 174.35 2a55 n SER 93 N 6.19 -3.43 -4.26 0.00 7.64 -1.19 -4.58 113.62 114.00 2a55 n SER 93 Ca 0.05 0.09 -0.38 0.00 1.01 0.00 0.00 58.87 59.63 2a55 n SER 93 Cb 0.48 -0.84 0.03 0.00 -1.01 0.00 0.00 64.21 62.87 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 0.41 0.10 0.00 1.43 2.13 -1.26 -0.95 120.64 122.50 2a55 n GLU 94 Ca 0.01 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2a55 n GLU 94 Cb 0.62 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 31.12 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 2.46 1.39 3.51 8.31 0.00 -1.26 -4.89 105.19 114.71 2a55 n GLY 95 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 3.02 0.38 1.61 0.40 -0.13 -0.09 117.98 123.18 2a55 s PHE 96 Ca 0.00 -0.26 0.08 0.00 -0.60 0.00 0.00 56.93 56.15 2a55 s PHE 96 Cb 0.00 -1.93 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 2a55 s PHE 96 CO 0.00 0.01 0.41 -0.59 0.70 0.00 0.00 175.22 175.75 2a55 s PHE 97 N 0.22 2.84 0.14 0.36 -0.71 -0.50 -3.93 117.98 116.41 2a55 s PHE 97 Ca -0.02 -0.38 -0.19 0.00 -1.04 0.00 0.00 56.93 55.30 2a55 s PHE 97 Cb -0.14 -2.09 -0.07 0.00 -1.21 0.00 0.00 43.02 39.50 2a55 s PHE 97 CO 0.03 -0.09 0.63 -1.17 -1.34 0.00 0.00 175.22 173.28 2a55 s LEU 98 N -4.15 4.43 -0.30 -1.99 0.20 -1.26 -3.11 118.68 112.50 2a55 s LEU 98 Ca 0.47 1.30 0.05 0.00 0.69 0.00 0.00 54.13 56.64 2a55 s LEU 98 Cb -0.06 -3.23 0.19 0.00 -0.43 0.00 0.00 46.19 42.65 2a55 s LEU 98 CO 0.29 0.15 0.53 -0.63 -0.29 0.00 0.00 176.35 176.41 2a55 s ILE 99 N -1.32 -0.88 0.00 6.68 1.01 -0.89 -4.98 121.20 120.82 2a55 s ILE 99 Ca 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2a55 s ILE 99 Cb -0.18 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.33 2a55 s ILE 99 CO 0.20 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.66 2a55 n GLY 100 N 5.35 -0.91 0.00 6.18 0.00 -1.26 -0.69 105.19 113.87 2a55 n GLY 100 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2a55 n SER 101 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 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 1.50 -4.44 2.46 -2.24 -1.26 -4.56 114.28 105.74 2a55 n THR 102 Ca 0.00 0.38 -0.25 0.00 -2.27 0.00 0.00 64.05 61.91 2a55 n THR 102 Cb 0.00 -1.33 -0.11 0.00 -2.10 0.00 0.00 70.33 66.79 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 -2.82 2.37 -0.18 4.28 -4.23 -1.26 -2.72 115.64 111.08 2a55 s THR 103 Ca 0.02 -2.23 -0.04 0.00 -1.18 0.00 0.00 61.69 58.26 2a55 s THR 103 Cb 0.02 -2.20 0.08 0.00 1.34 0.00 0.00 72.50 71.74 2a55 s THR 103 CO 0.04 -0.28 0.24 -0.55 -0.54 0.00 0.00 174.62 173.53 2a55 s SER 104 N -3.12 0.95 0.06 3.99 0.15 -1.23 -4.92 113.70 109.59 2a55 s SER 104 Ca 0.25 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2a55 s SER 104 Cb -0.06 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 2a55 s SER 104 CO 0.12 -0.29 0.20 -0.13 1.20 0.00 0.00 173.24 174.34 2a55 s ARG 105 N 2.37 3.39 -0.31 5.44 0.52 -1.26 -2.04 118.95 127.05 2a55 s ARG 105 Ca 0.05 -0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 54.68 2a55 s ARG 105 Cb -0.14 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 2a55 s ARG 105 CO -0.11 0.60 0.20 0.00 0.02 0.00 0.00 175.30 176.02 2a55 s GLU 107 N 1.71 2.17 -0.02 0.00 2.56 -1.04 -2.47 118.70 121.61 2a55 s GLU 107 Ca 0.06 -2.30 0.00 0.00 0.00 0.00 0.00 54.97 52.74 2a55 s GLU 107 Cb -0.17 -1.63 0.02 0.00 2.00 0.00 0.00 34.13 34.36 2a55 s GLU 107 CO 0.10 -0.33 0.01 0.08 -0.56 0.00 0.00 175.26 174.55 2a55 s VAL 108 N -2.83 0.07 -0.51 3.70 1.01 -1.26 -0.39 120.40 120.19 2a55 s VAL 108 Ca 0.14 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 2a55 s VAL 108 Cb 0.03 -0.16 0.13 0.00 0.00 0.00 0.00 36.38 36.38 2a55 s VAL 108 CO 0.08 0.10 0.40 -1.10 0.00 0.00 0.00 175.10 174.58 2a55 s GLN 109 N 0.80 2.64 2.66 2.72 -1.52 -0.91 -4.83 119.66 121.22 2a55 s GLN 109 Ca -0.07 -1.81 0.00 0.00 -1.95 0.00 0.00 55.36 51.53 2a55 s GLN 109 Cb -0.10 -4.03 0.00 0.00 -0.22 0.00 0.00 33.01 28.66 2a55 s GLN 109 CO -0.02 -1.23 0.00 -3.47 -0.25 0.00 0.00 175.29 170.32 2a55 n ASP 110 N 4.90 0.00 0.00 5.90 2.03 -1.26 -1.02 116.55 127.10 2a55 n ASP 110 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2a55 n ASP 110 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2a55 n ARG 111 N 0.00 0.74 -4.03 -0.67 1.85 -1.26 -4.97 116.66 108.32 2a55 n ARG 111 Ca 0.00 -0.74 -0.31 0.00 -1.00 0.00 0.00 57.85 55.80 2a55 n ARG 111 Cb 0.00 -0.79 -0.15 0.00 -1.05 0.00 0.00 32.46 30.47 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 -0.33 1.85 0.28 2.89 0.00 -0.19 -5.09 107.32 106.74 2a55 s GLY 112 Ca 0.00 -2.32 -0.27 0.00 0.00 0.00 0.00 44.72 42.13 2a55 s GLY 112 CO 0.00 0.86 0.82 -0.62 0.00 0.00 0.00 173.10 174.16 2a55 n VAL 113 N 4.31 1.98 -5.24 1.40 0.31 -1.26 -2.13 118.33 117.70 2a55 n VAL 113 Ca -0.01 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.51 2a55 n VAL 113 Cb 0.42 -0.67 -0.16 0.00 -0.91 0.00 0.00 33.84 32.53 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 -0.73 1.32 -0.54 2.92 0.00 0.48 -4.73 107.32 106.03 2a55 s GLY 114 Ca 0.61 -1.09 -0.20 0.00 0.00 0.00 0.00 44.72 44.04 2a55 s GLY 114 CO 0.59 -0.89 0.68 0.86 0.00 0.00 0.00 173.10 174.34 2a55 s TRP 115 N -0.62 3.00 0.33 1.90 -0.00 -1.26 -2.48 118.94 119.81 2a55 s TRP 115 Ca 0.10 -0.63 0.10 0.00 -0.00 0.00 0.00 56.10 55.67 2a55 s TRP 115 Cb -0.10 -3.75 1.00 0.00 -0.00 0.00 0.00 33.47 30.62 2a55 s TRP 115 CO -0.01 -1.16 1.60 0.66 -0.00 0.00 0.00 176.95 178.04 2a55 h SER 116 N 9.10 0.02 0.00 5.86 4.64 -1.92 -3.42 113.55 127.83 2a55 h SER 116 Ca -0.28 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2a55 h SER 116 Cb 1.09 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2a55 h SER 116 CO 1.02 -0.32 0.00 1.57 -0.87 0.00 0.00 176.83 178.23 2a55 n HIS 117 N -5.30 0.00 0.00 4.77 -0.00 -1.26 -5.07 115.22 108.35 2a55 n HIS 117 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 2a55 n HIS 117 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.95 2a55 n HIS 117 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2a55 n PRO 118 N -0.01 1.90 -0.75 1.57 -0.02 -1.26 -4.84 135.00 131.59 2a55 n PRO 118 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 2a55 n PRO 118 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 33.50 33.63 2a55 n PRO 118 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2a55 n LEU 119 N 0.00 2.52 0.00 2.45 -0.00 -1.26 -4.97 117.00 115.74 2a55 n LEU 119 Ca 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 2a55 n LEU 119 Cb 0.00 -1.41 0.00 0.00 -0.00 0.00 0.00 43.42 42.01 2a55 n LEU 119 CO 0.00 -2.50 0.00 -0.81 -0.00 0.00 0.00 177.39 174.08 2a55 n PRO 120 N -3.48 1.60 -3.74 1.47 -0.04 -1.26 -5.00 135.00 124.56 2a55 n PRO 120 Ca 0.11 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.20 2a55 n PRO 120 Cb 0.52 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.86 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 0.65 3.64 -0.40 0.54 0.74 0.14 -4.95 119.66 120.02 2a55 s GLN 121 Ca 0.00 -0.49 -0.12 0.00 0.05 0.00 0.00 55.36 54.80 2a55 s GLN 121 Cb 0.00 -3.36 0.04 0.00 1.10 0.00 0.00 33.01 30.79 2a55 s GLN 121 CO 0.00 -0.21 0.26 0.00 -0.55 0.00 0.00 175.29 174.79 2a55 s GLU 123 N 1.58 1.44 0.45 0.00 2.12 -1.18 -4.93 118.70 118.18 2a55 s GLU 123 Ca 0.03 -0.87 -0.22 0.00 0.36 0.00 0.00 54.97 54.26 2a55 s GLU 123 Cb -0.20 -1.51 -0.08 0.00 0.26 0.00 0.00 34.13 32.60 2a55 s GLU 123 CO 0.07 0.39 1.11 -1.50 -0.54 0.00 0.00 175.26 174.79 2a55 s ILE 124 N -0.71 3.41 0.22 -3.70 2.07 -1.26 -1.40 121.20 119.82 2a55 s ILE 124 Ca 0.07 1.01 0.19 0.00 -1.41 0.00 0.00 60.65 60.52 2a55 s ILE 124 Cb -0.08 -3.49 0.15 0.00 0.13 0.00 0.00 42.46 39.16 2a55 s ILE 124 CO 0.01 -0.06 1.78 -0.07 -1.91 0.00 0.00 174.94 174.70 2a55 h LEU 125 N 2.02 0.00 0.00 8.50 3.38 -0.88 -3.45 115.31 124.88 2a55 h LEU 125 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2a55 h LEU 125 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2a55 h LEU 125 CO 0.60 0.34 0.00 -0.62 0.09 0.00 0.00 178.44 178.85 2a55 n GLU 126 N -3.60 1.94 0.00 1.13 1.02 -1.26 -5.13 120.64 114.74 2a55 n GLU 126 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2a55 n GLU 126 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 2a55 n GLU 126 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2a55 n HIS 127 N -0.51 0.00 -2.43 -0.32 -0.00 -1.26 -5.11 115.22 105.58 2a55 n HIS 127 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 2a55 n HIS 127 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 2a55 n HIS 127 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2a55 n HIS 128 N 0.00 -4.10 -4.33 1.57 8.25 -1.26 -5.04 115.22 110.31 2a55 n HIS 128 Ca 0.00 2.43 -0.28 0.00 -0.26 0.00 0.00 57.72 59.61 2a55 n HIS 128 Cb 0.00 -3.48 -0.11 0.00 1.12 0.00 0.00 29.99 27.52 2a55 n HIS 128 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2a55 s HIS 129 N -0.54 2.51 0.00 4.41 2.46 -1.26 -4.98 115.29 117.90 2a55 s HIS 129 Ca -0.08 -0.27 0.00 0.00 0.47 0.00 0.00 55.06 55.18 2a55 s HIS 129 Cb 0.01 -1.27 0.00 0.00 -0.13 0.00 0.00 32.58 31.18 2a55 s HIS 129 CO 0.21 0.46 0.00 1.58 -2.47 0.00 0.00 174.74 174.53 2a55 n HIS 130 N 0.37 -0.87 -2.37 3.88 -0.00 -1.26 -5.13 115.22 109.84 2a55 n HIS 130 Ca -0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.55 2a55 n HIS 130 Cb 0.55 0.17 -0.03 0.00 -0.00 0.00 0.00 29.99 30.68 2a55 n HIS 130 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2a55 n HIS 131 N -1.77 -4.02 1.89 1.57 -0.00 -1.26 -5.39 115.22 106.24 2a55 n HIS 131 Ca 0.00 2.36 0.16 0.00 0.46 0.00 0.00 57.72 60.69 2a55 n HIS 131 Cb 0.00 -3.62 0.86 0.00 -0.12 0.00 0.00 29.99 27.11 2a55 n HIS 131 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38