#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 n ASN 1 N 0.00 2.80 -3.54 7.83 4.13 -1.26 -4.24 115.26 120.98 2a55 n ASN 1 Ca 0.00 1.16 -0.14 0.00 1.68 0.00 0.00 54.58 57.29 2a55 n ASN 1 Cb 0.00 -1.51 0.07 0.00 -1.54 0.00 0.00 39.78 36.80 2a55 n ASN 1 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2a55 s GLY 3 N -3.97 1.59 -0.01 0.00 0.00 -1.26 -4.08 107.32 99.59 2a55 s GLY 3 Ca 0.39 -0.73 -0.40 0.00 0.00 0.00 0.00 44.72 43.98 2a55 s GLY 3 CO 0.26 -0.48 1.16 -1.05 0.00 0.00 0.00 173.10 172.99 2a55 n PRO 4 N -2.49 0.23 -1.69 2.90 -0.02 -1.16 -4.75 135.00 128.01 2a55 n PRO 4 Ca 0.04 0.08 -0.56 0.00 -2.02 0.00 0.00 63.50 61.04 2a55 n PRO 4 Cb 0.57 -1.61 -0.07 0.00 -0.02 0.00 0.00 33.50 32.37 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 1.87 1.33 -0.58 0.52 -0.02 -1.26 -4.96 135.00 131.90 2a55 n PRO 5 Ca 0.20 0.48 -0.29 0.00 -2.02 0.00 0.00 63.50 61.87 2a55 n PRO 5 Cb 0.09 -2.22 0.27 0.00 -0.02 0.00 0.00 33.50 31.62 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 5.82 -4.02 -3.79 0.52 -0.04 -1.26 -5.02 135.00 127.20 2a55 n PRO 6 Ca 0.27 -1.54 -0.35 0.00 -0.04 0.00 0.00 63.50 61.83 2a55 n PRO 6 Cb 0.16 -1.72 -0.08 0.00 -0.04 0.00 0.00 33.50 31.82 2a55 n PRO 6 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2a55 s THR 7 N -2.46 5.34 0.15 0.52 2.01 -1.26 -5.10 115.64 114.85 2a55 s THR 7 Ca 0.67 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.84 2a55 s THR 7 Cb -0.09 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 69.01 2a55 s THR 7 CO 0.54 0.47 0.10 0.18 -0.69 0.00 0.00 174.62 175.21 2a55 n LEU 8 N 3.31 0.00 0.00 4.42 4.32 -1.26 -5.08 117.00 122.71 2a55 n LEU 8 Ca -0.17 -0.82 0.00 0.00 -0.02 0.00 0.00 56.01 55.00 2a55 n LEU 8 Cb 0.52 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 2a55 n LEU 8 CO 0.36 -0.31 -0.25 -1.20 -1.22 0.00 0.00 177.39 174.77 2a55 n SER 9 N -1.82 1.52 0.17 -1.43 7.64 -1.26 -4.75 113.62 113.69 2a55 n SER 9 Ca -0.01 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.00 2a55 n SER 9 Cb 0.18 0.00 0.57 0.00 -1.01 0.00 0.00 64.21 63.95 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 -3.63 1.43 0.04 -1.94 -3.44 116.94 109.40 2a55 h PHE 10 Ca 0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 2a55 h PHE 10 Cb 0.49 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.50 2a55 h PHE 10 CO 0.00 0.00 -0.28 0.00 -0.60 0.00 0.00 178.31 177.43 2a55 s ALA 11 N -3.45 -0.47 0.05 2.45 0.00 -1.26 -3.79 121.76 115.30 2a55 s ALA 11 Ca 0.02 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.65 2a55 s ALA 11 Cb 0.09 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 2a55 s ALA 11 CO 0.40 -0.53 -0.15 0.00 0.00 0.00 0.00 175.76 175.48 2a55 s ALA 12 N -3.65 1.23 0.29 0.00 0.00 -1.25 -4.46 121.76 113.91 2a55 s ALA 12 Ca 0.03 -0.89 -0.27 0.00 0.00 0.00 0.00 51.96 50.83 2a55 s ALA 12 Cb 0.03 -0.18 -0.15 0.00 0.00 0.00 0.00 23.12 22.83 2a55 s ALA 12 CO -0.10 0.22 0.73 -2.30 0.00 0.00 0.00 175.76 174.31 2a55 n PRO 13 N 1.74 0.71 0.00 0.00 -0.02 -1.26 -0.49 135.00 135.68 2a55 n PRO 13 Ca -0.19 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2a55 n PRO 13 Cb 0.54 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 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 0.79 0.28 0.00 -0.52 1.56 -1.26 -4.69 117.12 113.28 2a55 n MET 14 Ca 0.13 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.56 2a55 n MET 14 Cb 0.32 -0.02 0.00 0.00 2.15 0.00 0.00 33.22 35.66 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 0.00 0.00 -2.67 6.12 2.03 -1.26 -4.88 116.55 115.88 2a55 n ASP 15 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 2a55 n ASP 15 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 2a55 n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a55 n ILE 16 N 0.00 -1.93 -1.50 5.18 3.06 -1.26 -4.56 119.36 118.35 2a55 n ILE 16 Ca 0.00 0.29 -0.43 0.00 -2.50 0.00 0.00 62.75 60.11 2a55 n ILE 16 Cb 0.00 -2.42 -0.07 0.00 0.54 0.00 0.00 39.64 37.70 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 0.77 0.07 -1.72 9.51 -2.24 -1.26 -4.78 114.28 114.63 2a55 n THR 17 Ca -0.02 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 61.04 2a55 n THR 17 Cb 0.43 -1.91 -0.07 0.00 -2.10 0.00 0.00 70.33 66.67 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 12.22 2.96 0.00 3.22 7.99 -1.26 -3.77 117.00 138.35 2a55 n LEU 18 Ca 0.43 -2.94 0.00 0.00 -0.01 0.00 0.00 56.01 53.50 2a55 n LEU 18 Cb 0.32 -1.53 0.00 0.00 -0.11 0.00 0.00 43.42 42.10 2a55 n LEU 18 CO 0.77 -1.75 0.00 0.35 -1.51 0.00 0.00 177.39 175.24 2a55 n THR 19 N 7.53 0.00 -4.08 -5.08 -2.24 -1.26 -5.08 114.28 104.08 2a55 n THR 19 Ca 0.46 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 62.06 2a55 n THR 19 Cb 0.45 0.87 -0.16 0.00 -2.10 0.00 0.00 70.33 69.39 2a55 n THR 19 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2a55 s GLU 20 N 0.00 0.53 0.03 -0.78 2.02 -1.25 -5.02 118.70 114.24 2a55 s GLU 20 Ca 0.00 -0.06 0.29 0.00 0.02 0.00 0.00 54.97 55.22 2a55 s GLU 20 Cb 0.00 -0.59 1.17 0.00 0.10 0.00 0.00 34.13 34.80 2a55 s GLU 20 CO 0.00 -0.05 1.90 2.41 0.02 0.00 0.00 175.26 179.54 2a55 n THR 21 N 3.80 0.10 -4.38 3.63 -1.04 -1.26 -4.83 114.28 110.30 2a55 n THR 21 Ca -0.23 -0.05 -0.20 0.00 -2.04 0.00 0.00 64.05 61.53 2a55 n THR 21 Cb 0.52 -0.51 -0.10 0.00 -1.82 0.00 0.00 70.33 68.42 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2a55 s ARG 22 N -3.02 1.43 -0.17 -2.82 0.52 -1.26 -2.99 118.95 110.63 2a55 s ARG 22 Ca 0.13 -1.64 -0.04 0.00 -0.52 0.00 0.00 55.73 53.67 2a55 s ARG 22 Cb 0.18 -1.31 0.08 0.00 0.52 0.00 0.00 34.95 34.42 2a55 s ARG 22 CO 0.54 0.23 0.25 -0.06 0.02 0.00 0.00 175.30 176.28 2a55 s PHE 23 N -2.82 -0.37 1.14 -0.53 0.40 -1.26 -4.94 117.98 109.60 2a55 s PHE 23 Ca 0.24 0.57 -0.17 0.00 -0.60 0.00 0.00 56.93 56.97 2a55 s PHE 23 Cb -0.02 -0.21 0.18 0.00 0.51 0.00 0.00 43.02 43.49 2a55 s PHE 23 CO 0.09 -0.50 0.31 0.36 0.70 0.00 0.00 175.22 176.18 2a55 n LYS 24 N 5.34 -2.40 0.05 0.44 2.85 -1.26 -2.69 118.16 120.50 2a55 n LYS 24 Ca -0.05 -0.70 0.10 0.00 -1.05 0.00 0.00 58.31 56.61 2a55 n LYS 24 Cb 0.50 -1.69 0.42 0.00 -0.65 0.00 0.00 35.03 33.61 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 -4.69 0.76 -0.82 0.58 -2.24 -1.26 -2.21 114.28 104.40 2a55 n THR 25 Ca 0.04 0.15 0.07 0.00 -2.27 0.00 0.00 64.05 62.04 2a55 n THR 25 Cb 0.53 -0.94 0.39 0.00 -2.10 0.00 0.00 70.33 68.21 2a55 n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a55 n GLY 26 N 0.35 2.92 3.93 3.38 0.00 -1.26 -4.07 105.19 110.45 2a55 n GLY 26 Ca 0.04 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.67 5.31 -0.21 2.61 -1.32 -0.94 -5.04 115.64 113.38 2a55 s THR 27 Ca 0.53 -0.53 -0.08 0.00 -1.21 0.00 0.00 61.69 60.39 2a55 s THR 27 Cb 0.40 -3.71 0.09 0.00 -1.51 0.00 0.00 72.50 67.77 2a55 s THR 27 CO 0.16 -0.04 0.46 -0.89 -2.21 0.00 0.00 174.62 172.10 2a55 s THR 28 N -1.70 -0.50 0.11 5.08 2.01 -1.26 -3.68 115.64 115.70 2a55 s THR 28 Ca 0.36 0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.47 2a55 s THR 28 Cb -0.12 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.70 2a55 s THR 28 CO 0.28 0.05 0.15 0.18 -0.69 0.00 0.00 174.62 174.60 2a55 n LEU 29 N 5.05 0.00 0.00 4.42 4.32 -1.11 -4.91 117.00 124.78 2a55 n LEU 29 Ca -0.13 -0.32 0.00 0.00 -0.02 0.00 0.00 56.01 55.54 2a55 n LEU 29 Cb 0.51 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 2a55 n LEU 29 CO 0.01 -0.58 0.00 1.17 -1.22 0.00 0.00 177.39 176.78 2a55 n LYS 30 N -1.29 0.00 -1.11 3.23 4.81 -1.26 -4.17 118.16 118.37 2a55 n LYS 30 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2a55 n LYS 30 Cb 0.09 -0.10 0.00 0.00 0.02 0.00 0.00 35.03 35.04 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 -1.89 -2.97 -0.59 5.64 4.02 -1.26 -4.10 117.16 116.01 2a55 n TYR 31 Ca 0.00 1.56 0.00 0.00 -0.01 0.00 0.00 57.90 59.45 2a55 n TYR 31 Cb 0.00 -2.77 0.00 0.00 -0.02 0.00 0.00 39.34 36.55 2a55 n TYR 31 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2a55 n THR 32 N -0.39 0.00 -3.24 -0.72 -2.24 0.35 -4.78 114.28 103.26 2a55 n THR 32 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2a55 n THR 32 Cb 0.00 -0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 67.25 2a55 n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a55 n LEU 34 N 5.42 -1.92 0.00 0.00 4.77 -1.25 -4.85 117.00 119.17 2a55 n LEU 34 Ca -0.04 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2a55 n LEU 34 Cb 0.51 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 2a55 n LEU 34 CO -0.00 -4.32 0.23 -0.81 -1.33 0.00 0.00 177.39 171.16 2a55 n PRO 35 N -0.18 0.00 0.19 3.23 -0.04 -1.26 -1.98 135.00 134.96 2a55 n PRO 35 Ca 0.05 0.40 0.18 0.00 -0.04 0.00 0.00 63.50 64.09 2a55 n PRO 35 Cb 0.53 -0.96 0.80 0.00 -0.04 0.00 0.00 33.50 33.83 2a55 n PRO 35 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2a55 h GLY 36 N 0.00 0.00 -7.30 0.55 0.00 -1.86 -3.36 103.07 91.11 2a55 h GLY 36 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2a55 h GLY 36 CO 0.00 0.00 0.58 -0.19 0.00 0.00 0.00 176.54 176.93 2a55 s TYR 37 N -4.45 1.62 0.29 5.60 2.02 -0.84 0.02 117.35 121.62 2a55 s TYR 37 Ca -0.04 1.14 0.03 0.00 -0.37 0.00 0.00 57.07 57.83 2a55 s TYR 37 Cb 0.13 -3.78 0.03 0.00 -0.40 0.00 0.00 41.96 37.94 2a55 s TYR 37 CO 0.46 -1.34 0.25 1.33 -1.57 0.00 0.00 175.55 174.68 2a55 n VAL 38 N 8.24 0.00 -0.66 0.71 0.24 -1.06 -4.41 118.33 121.39 2a55 n VAL 38 Ca 0.43 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 2a55 n VAL 38 Cb 0.46 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 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 -1.27 0.00 -0.32 7.34 1.74 -1.26 0.13 116.66 123.01 2a55 n ARG 39 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2a55 n ARG 39 Cb 0.32 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 2a55 n ARG 39 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2a55 n SER 40 N -3.87 0.00 -4.67 0.55 2.88 -1.26 -3.51 113.62 103.74 2a55 n SER 40 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2a55 n SER 40 Cb 0.00 -1.92 -0.01 0.00 -0.75 0.00 0.00 64.21 61.53 2a55 n SER 40 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2a55 n HIS 41 N -2.00 1.98 0.00 0.66 8.25 -0.54 -3.36 115.22 120.20 2a55 n HIS 41 Ca 0.00 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 2a55 n HIS 41 Cb 0.00 -2.36 0.00 0.00 1.12 0.00 0.00 29.99 28.75 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 0.87 0.00 0.00 0.41 2.88 -1.26 -4.97 113.62 111.54 2a55 n SER 42 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2a55 n SER 42 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2a55 n THR 43 N 0.00 0.00 -2.24 2.46 -1.04 -1.26 -5.04 114.28 107.15 2a55 n THR 43 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 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 -1.60 -0.88 -3.70 -2.82 1.13 -1.26 -5.03 117.38 103.21 2a55 n GLN 44 Ca 0.00 0.34 -0.12 0.00 -1.94 0.00 0.00 57.00 55.28 2a55 n GLN 44 Cb 0.00 -4.17 -0.07 0.00 0.11 0.00 0.00 30.24 26.12 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2a55 s THR 45 N -2.47 0.07 -0.34 5.09 -4.23 -1.26 -4.55 115.64 107.95 2a55 s THR 45 Ca 0.03 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 2a55 s THR 45 Cb -0.01 -0.97 0.08 0.00 1.34 0.00 0.00 72.50 72.94 2a55 s THR 45 CO 0.04 -0.31 0.07 -0.76 -0.54 0.00 0.00 174.62 173.11 2a55 s LEU 46 N -2.11 4.53 0.08 4.79 1.02 -1.26 -4.66 118.68 121.08 2a55 s LEU 46 Ca -0.04 -1.79 0.04 0.00 0.02 0.00 0.00 54.13 52.36 2a55 s LEU 46 Cb -0.01 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.46 2a55 s LEU 46 CO -0.04 -0.38 0.01 -0.89 0.02 0.00 0.00 176.35 175.08 2a55 s THR 47 N 1.10 4.10 -0.22 5.49 2.01 -1.23 -2.74 115.64 124.14 2a55 s THR 47 Ca 0.03 -0.94 -0.25 0.00 0.31 0.00 0.00 61.69 60.85 2a55 s THR 47 Cb -0.21 -2.95 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 2a55 s THR 47 CO -0.05 0.13 0.83 0.00 -0.69 0.00 0.00 174.62 174.85 2a55 s ASN 49 N 1.29 4.88 -1.39 0.00 2.20 -1.18 -4.24 114.94 116.49 2a55 s ASN 49 Ca 0.36 -0.74 -0.08 0.00 -0.94 0.00 0.00 52.86 51.45 2a55 s ASN 49 Cb -0.16 0.26 0.08 0.00 -2.00 0.00 0.00 41.25 39.44 2a55 s ASN 49 CO 0.09 -1.50 2.37 -0.24 -2.94 0.00 0.00 177.10 174.87 2a55 n SER 50 N -2.41 7.15 0.00 3.54 2.88 -1.26 -3.33 113.62 120.19 2a55 n SER 50 Ca 0.16 -3.00 0.00 0.00 -1.33 0.00 0.00 58.87 54.70 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 0.47 -1.23 0.00 0.00 175.04 174.28 2a55 n ASP 51 N 2.95 0.00 -1.53 -3.46 8.00 -1.26 -4.99 116.55 116.27 2a55 n ASP 51 Ca 0.59 -1.00 -0.20 0.00 0.71 0.00 0.00 54.79 54.90 2a55 n ASP 51 Cb 0.28 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.30 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a55 n GLY 52 N 0.00 1.90 3.35 0.44 0.00 -1.21 -4.95 105.19 104.73 2a55 n GLY 52 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.69 1.38 -0.39 1.61 -1.05 -1.26 -4.54 118.70 110.76 2a55 s GLU 53 Ca 0.00 -1.70 -0.18 0.00 -0.15 0.00 0.00 54.97 52.94 2a55 s GLU 53 Cb 0.00 -0.77 0.01 0.00 -0.44 0.00 0.00 34.13 32.93 2a55 s GLU 53 CO 0.00 -0.05 0.50 -1.58 0.95 0.00 0.00 175.26 175.08 2a55 s TRP 54 N -3.30 3.15 0.01 4.83 0.52 -1.26 -3.11 118.94 119.79 2a55 s TRP 54 Ca 0.28 -0.09 -0.08 0.00 0.02 0.00 0.00 56.10 56.23 2a55 s TRP 54 Cb 0.05 -2.98 -0.05 0.00 -1.15 0.00 0.00 33.47 29.34 2a55 s TRP 54 CO 0.09 -0.65 0.30 0.08 0.02 0.00 0.00 176.95 176.79 2a55 s VAL 55 N 2.35 5.24 0.00 4.03 1.01 -1.14 -4.89 120.40 127.01 2a55 s VAL 55 Ca 0.16 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2a55 s VAL 55 Cb -0.16 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2a55 s VAL 55 CO 0.14 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.63 2a55 n TYR 56 N 1.21 0.00 -2.24 5.22 0.18 -1.26 -3.57 117.16 116.70 2a55 n TYR 56 Ca -0.11 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.67 2a55 n TYR 56 Cb 0.53 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.49 2a55 n TYR 56 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2a55 n ASN 57 N 0.00 -2.82 -4.66 9.48 4.13 -1.26 -4.48 115.26 115.65 2a55 n ASN 57 Ca 0.00 0.03 -0.40 0.00 1.68 0.00 0.00 54.58 55.89 2a55 n ASN 57 Cb 0.00 -0.10 -0.06 0.00 -1.54 0.00 0.00 39.78 38.08 2a55 n ASN 57 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2a55 s THR 58 N -0.07 5.06 -0.92 3.41 2.01 -1.26 -4.92 115.64 118.95 2a55 s THR 58 Ca 0.00 1.09 0.11 0.00 0.31 0.00 0.00 61.69 63.20 2a55 s THR 58 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2a55 s THR 58 CO 0.00 0.14 0.63 2.22 -0.69 0.00 0.00 174.62 176.92 2a55 n PHE 59 N 4.92 0.00 -3.85 4.92 1.16 -1.22 -4.52 117.46 118.87 2a55 n PHE 59 Ca -0.03 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.44 2a55 n PHE 59 Cb 0.50 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.28 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 s ILE 61 N -2.09 -0.26 -0.07 0.00 -4.36 0.34 -4.82 121.20 109.94 2a55 s ILE 61 Ca -0.09 -0.92 -0.40 0.00 -0.26 0.00 0.00 60.65 58.98 2a55 s ILE 61 Cb -0.03 -0.87 -0.18 0.00 1.25 0.00 0.00 42.46 42.63 2a55 s ILE 61 CO -0.01 -0.62 1.35 0.00 0.24 0.00 0.00 174.94 175.90 2a55 n TYR 62 N 4.64 1.36 -3.32 1.37 4.19 -1.23 -2.57 117.16 121.60 2a55 n TYR 62 Ca 0.06 0.81 0.02 0.00 3.31 0.00 0.00 57.90 62.10 2a55 n TYR 62 Cb 0.44 -2.27 -0.02 0.00 0.49 0.00 0.00 39.34 37.98 2a55 n TYR 62 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2a55 s LYS 63 N 1.14 0.55 0.16 2.98 -2.85 0.10 -4.84 119.74 116.99 2a55 s LYS 63 Ca 0.91 1.11 0.09 0.00 -1.00 0.00 0.00 55.97 57.08 2a55 s LYS 63 Cb -1.14 0.64 -0.04 0.00 -2.06 0.00 0.00 37.83 35.23 2a55 s LYS 63 CO 0.57 -0.45 -0.20 -0.98 0.10 0.00 0.00 175.35 174.40 2a55 s ARG 64 N 2.86 1.30 -0.13 1.78 1.70 -1.26 -3.69 118.95 121.52 2a55 s ARG 64 Ca 0.11 -1.40 -0.16 0.00 -0.47 0.00 0.00 55.73 53.80 2a55 s ARG 64 Cb -0.14 -1.43 -0.04 0.00 -0.57 0.00 0.00 34.95 32.77 2a55 s ARG 64 CO -0.20 0.30 0.39 0.00 -1.08 0.00 0.00 175.30 174.72 2a55 n ARG 66 N 3.50 2.24 -1.67 0.00 3.00 -1.26 -4.82 116.66 117.65 2a55 n ARG 66 Ca -0.10 0.79 -0.43 0.00 -0.00 0.00 0.00 57.85 58.11 2a55 n ARG 66 Cb 0.52 -2.48 -0.03 0.00 0.00 0.00 0.00 32.46 30.47 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 1.75 2.48 0.21 -0.14 -0.00 -1.26 -4.81 115.22 113.46 2a55 n HIS 67 Ca 0.10 -0.30 0.17 0.00 -0.00 0.00 0.00 57.72 57.68 2a55 n HIS 67 Cb 0.34 -2.78 0.69 0.00 -0.00 0.00 0.00 29.99 28.24 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 10.28 0.00 0.00 1.57 0.13 -1.98 -3.47 132.00 138.54 2a55 h PRO 68 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2a55 h PRO 68 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 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 -1.38 -1.77 3.74 1.56 0.00 -1.26 -4.71 105.19 101.37 2a55 n GLY 69 Ca 0.03 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 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 4.75 -0.59 1.61 2.56 -1.26 -4.88 118.70 120.89 2a55 s GLU 70 Ca 0.00 1.45 -0.18 0.00 0.00 0.00 0.00 54.97 56.24 2a55 s GLU 70 Cb 0.00 -3.34 0.12 0.00 2.00 0.00 0.00 34.13 32.91 2a55 s GLU 70 CO 0.00 0.33 0.65 -1.17 -0.56 0.00 0.00 175.26 174.52 2a55 s LEU 71 N -0.45 5.69 0.00 2.70 0.20 -1.26 -5.01 118.68 120.55 2a55 s LEU 71 Ca 0.44 -1.61 -0.30 0.00 0.69 0.00 0.00 54.13 53.35 2a55 s LEU 71 Cb -0.24 -2.27 -0.08 0.00 -0.43 0.00 0.00 46.19 43.17 2a55 s LEU 71 CO 0.30 -1.01 1.89 -0.60 -0.29 0.00 0.00 176.35 176.64 2a55 s ARG 72 N 2.25 4.11 -1.03 1.98 3.52 -1.26 -0.55 118.95 127.97 2a55 s ARG 72 Ca 0.10 2.48 -0.01 0.00 -0.13 0.00 0.00 55.73 58.17 2a55 s ARG 72 Cb -0.25 -4.12 0.00 0.00 -1.56 0.00 0.00 34.95 29.02 2a55 s ARG 72 CO 0.04 -0.97 0.86 0.09 -0.81 0.00 0.00 175.30 174.51 2a55 n ASN 73 N 7.59 -2.30 -3.61 -2.12 3.02 -1.26 -4.74 115.26 111.85 2a55 n ASN 73 Ca 0.20 -0.52 -0.00 0.00 -0.03 0.00 0.00 54.58 54.22 2a55 n ASN 73 Cb 0.42 -4.43 0.01 0.00 -0.61 0.00 0.00 39.78 35.17 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 -4.09 -0.12 -0.02 7.41 0.00 0.29 -2.48 107.32 108.31 2a55 s GLY 74 Ca 0.04 0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.84 2a55 s GLY 74 CO 0.62 2.62 -0.06 1.62 0.00 0.00 0.00 173.10 177.89 2a55 s GLN 75 N -2.31 0.73 -0.39 2.90 0.74 0.71 -4.50 119.66 117.53 2a55 s GLN 75 Ca 0.21 -0.21 -0.10 0.00 0.05 0.00 0.00 55.36 55.31 2a55 s GLN 75 Cb -0.00 -0.71 0.04 0.00 1.10 0.00 0.00 33.01 33.44 2a55 s GLN 75 CO 0.01 0.06 0.22 0.08 -0.55 0.00 0.00 175.29 175.11 2a55 s VAL 76 N 0.28 4.45 -0.54 1.34 1.01 -1.26 -2.04 120.40 123.64 2a55 s VAL 76 Ca -0.04 -1.03 -0.27 0.00 0.00 0.00 0.00 61.98 60.64 2a55 s VAL 76 Cb -0.08 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2a55 s VAL 76 CO 0.00 -0.32 1.66 -0.70 0.00 0.00 0.00 175.10 175.74 2a55 s GLU 77 N 1.51 3.03 -0.02 2.72 2.56 -1.12 -4.97 118.70 122.41 2a55 s GLU 77 Ca 0.02 0.67 0.08 0.00 0.00 0.00 0.00 54.97 55.74 2a55 s GLU 77 Cb -0.20 -4.25 -0.02 0.00 2.00 0.00 0.00 34.13 31.66 2a55 s GLU 77 CO 0.05 -2.25 -0.26 0.42 -0.56 0.00 0.00 175.26 172.66 2a55 s ILE 78 N 7.42 2.07 0.00 -3.70 -1.09 -1.26 -4.45 121.20 120.19 2a55 s ILE 78 Ca 0.63 -1.10 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 2a55 s ILE 78 Cb -0.14 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 39.03 2a55 s ILE 78 CO 0.24 0.58 0.37 2.29 -1.23 0.00 0.00 174.94 177.19 2a55 n LYS 79 N 2.43 0.00 -0.01 2.79 0.00 -1.26 -4.96 118.16 117.16 2a55 n LYS 79 Ca -0.16 -0.28 0.00 0.00 -0.00 0.00 0.00 58.31 57.87 2a55 n LYS 79 Cb 0.51 0.30 0.00 0.00 -0.00 0.00 0.00 35.03 35.84 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 -4.97 114.28 105.52 2a55 n THR 80 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2a55 n THR 80 Cb 0.37 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 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 -4.88 -3.03 3.42 9.92 -1.26 -1.58 116.55 119.15 2a55 n ASP 81 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 2a55 n ASP 81 Cb 0.50 -3.17 0.07 0.00 -0.64 0.00 0.00 41.12 37.88 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 -4.39 -1.16 0.64 7.99 -1.26 -4.81 117.00 114.01 2a55 n LEU 82 Ca 0.00 -0.56 -0.04 0.00 -0.01 0.00 0.00 56.01 55.40 2a55 n LEU 82 Cb 0.41 -2.77 0.04 0.00 -0.11 0.00 0.00 43.42 40.99 2a55 n LEU 82 CO 0.00 0.21 0.61 -1.54 -1.51 0.00 0.00 177.39 175.16 2a55 n SER 83 N -2.88 2.95 -1.69 -1.43 3.41 -0.61 -2.60 113.62 110.76 2a55 n SER 83 Ca -0.16 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.17 2a55 n SER 83 Cb 0.62 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2a55 n SER 83 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2a55 n PHE 84 N 0.18 -4.65 -1.69 7.33 7.35 -1.24 -4.59 117.46 120.15 2a55 n PHE 84 Ca 0.10 2.47 0.00 0.00 -0.76 0.00 0.00 57.45 59.27 2a55 n PHE 84 Cb 0.68 -3.66 0.00 0.00 0.35 0.00 0.00 39.48 36.84 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 -0.77 0.93 3.11 7.13 0.00 -1.15 -5.01 105.19 109.44 2a55 n GLY 85 Ca 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.72 0.42 -0.10 1.61 1.04 -1.26 -4.92 113.70 107.77 2a55 s SER 86 Ca 0.00 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.38 2a55 s SER 86 Cb 0.00 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 2a55 s SER 86 CO 0.00 -0.65 -0.16 -1.58 0.98 0.00 0.00 173.24 171.83 2a55 s GLN 87 N -3.96 3.04 -0.30 4.02 -0.44 -1.25 -1.85 119.66 118.91 2a55 s GLN 87 Ca 0.13 -0.73 0.00 0.00 -2.50 0.00 0.00 55.36 52.26 2a55 s GLN 87 Cb 0.08 -2.48 0.09 0.00 -1.64 0.00 0.00 33.01 29.06 2a55 s GLN 87 CO -0.06 0.33 0.07 0.96 0.50 0.00 0.00 175.29 177.09 2a55 s ILE 88 N 0.03 1.22 1.13 -2.34 -4.36 -0.31 -4.88 121.20 111.68 2a55 s ILE 88 Ca -0.06 -1.53 -0.19 0.00 -0.26 0.00 0.00 60.65 58.62 2a55 s ILE 88 Cb -0.15 -1.86 0.28 0.00 1.25 0.00 0.00 42.46 41.99 2a55 s ILE 88 CO 0.05 -0.57 0.94 -0.62 0.24 0.00 0.00 174.94 174.98 2a55 n GLU 89 N 4.72 -3.20 -3.94 0.37 1.02 -1.26 -3.06 120.64 115.29 2a55 n GLU 89 Ca -0.02 -1.52 -0.19 0.00 -0.02 0.00 0.00 57.16 55.41 2a55 n GLU 89 Cb 0.43 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.28 2a55 n GLU 89 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2a55 n PHE 90 N -4.76 -0.23 -3.25 -0.32 3.72 -1.25 -2.81 117.46 108.54 2a55 n PHE 90 Ca 0.13 -2.26 0.03 0.00 -0.05 0.00 0.00 57.45 55.31 2a55 n PHE 90 Cb 0.53 0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 39.16 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2a55 s SER 91 N -3.03 -1.23 -0.13 4.37 0.01 -0.86 -4.89 113.70 107.94 2a55 s SER 91 Ca 0.24 0.95 -0.23 0.00 1.31 0.00 0.00 55.95 58.22 2a55 s SER 91 Cb 0.01 2.10 -0.03 0.00 0.21 0.00 0.00 66.02 68.32 2a55 s SER 91 CO 0.17 -0.23 0.73 0.00 0.41 0.00 0.00 173.24 174.32 2a55 n SER 93 N 4.55 -3.34 0.00 0.00 7.64 -1.03 -4.57 113.62 116.87 2a55 n SER 93 Ca 0.01 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2a55 n SER 93 Cb 0.50 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2a55 n GLU 94 N 1.93 0.00 0.29 1.43 2.13 -1.26 -1.24 120.64 123.91 2a55 n GLU 94 Ca -0.02 0.48 0.18 0.00 0.66 0.00 0.00 57.16 58.47 2a55 n GLU 94 Cb 0.71 -0.81 0.79 0.00 0.27 0.00 0.00 31.44 32.41 2a55 n GLU 94 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2a55 h GLY 95 N 0.00 0.00 -6.38 8.31 0.00 -1.96 -3.42 103.07 99.62 2a55 h GLY 95 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 2a55 h GLY 95 CO 0.00 0.00 -0.71 -1.36 0.00 0.00 0.00 176.54 174.47 2a55 s PHE 96 N -3.76 2.96 0.59 5.60 0.08 -0.38 0.34 117.98 123.42 2a55 s PHE 96 Ca -0.00 -0.67 -0.02 0.00 0.12 0.00 0.00 56.93 56.37 2a55 s PHE 96 Cb 0.10 -2.03 0.04 0.00 -0.57 0.00 0.00 43.02 40.55 2a55 s PHE 96 CO 0.52 -0.33 0.85 -0.59 -0.10 0.00 0.00 175.22 175.56 2a55 s PHE 97 N 0.99 2.92 0.10 0.36 -0.71 0.35 -2.96 117.98 119.03 2a55 s PHE 97 Ca 0.00 0.17 -0.17 0.00 -1.04 0.00 0.00 56.93 55.90 2a55 s PHE 97 Cb -0.15 -2.86 -0.07 0.00 -1.21 0.00 0.00 43.02 38.74 2a55 s PHE 97 CO 0.01 -1.00 0.55 -1.17 -1.34 0.00 0.00 175.22 172.27 2a55 s LEU 98 N -4.91 4.45 -0.29 -1.99 0.20 -1.26 -2.63 118.68 112.25 2a55 s LEU 98 Ca 0.57 1.17 0.04 0.00 0.69 0.00 0.00 54.13 56.61 2a55 s LEU 98 Cb -0.10 -3.03 0.19 0.00 -0.43 0.00 0.00 46.19 42.82 2a55 s LEU 98 CO 0.41 0.21 0.55 -0.63 -0.29 0.00 0.00 176.35 176.59 2a55 s ILE 99 N -1.25 -0.92 0.00 6.68 1.01 -0.80 -4.99 121.20 120.93 2a55 s ILE 99 Ca 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2a55 s ILE 99 Cb -0.17 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2a55 s ILE 99 CO 0.19 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.68 2a55 n GLY 100 N 5.41 -1.32 0.00 6.18 0.00 -1.26 -0.69 105.19 113.51 2a55 n GLY 100 Ca 0.03 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.58 1.61 2.88 -1.26 -5.01 113.62 111.26 2a55 n SER 101 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2a55 n SER 101 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.08 -3.84 2.46 -2.24 -1.26 -4.64 114.28 104.85 2a55 n THR 102 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2a55 n THR 102 Cb 0.00 -0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 67.79 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 -0.77 0.08 -0.17 4.28 -4.23 -1.26 -3.95 115.64 109.61 2a55 s THR 103 Ca 0.00 -0.62 -0.04 0.00 -1.18 0.00 0.00 61.69 59.85 2a55 s THR 103 Cb 0.00 -0.49 0.07 0.00 1.34 0.00 0.00 72.50 73.42 2a55 s THR 103 CO 0.00 -0.34 0.18 -0.55 -0.54 0.00 0.00 174.62 173.37 2a55 s SER 104 N -1.38 1.42 -0.01 3.99 0.15 -1.17 -4.88 113.70 111.82 2a55 s SER 104 Ca -0.14 -0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.32 2a55 s SER 104 Cb -0.07 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 2a55 s SER 104 CO 0.02 -0.31 0.18 -0.13 1.20 0.00 0.00 173.24 174.21 2a55 s ARG 105 N 2.28 3.44 -0.31 5.44 0.52 -1.26 -1.16 118.95 127.90 2a55 s ARG 105 Ca 0.05 -0.32 -0.13 0.00 -0.52 0.00 0.00 55.73 54.81 2a55 s ARG 105 Cb -0.15 -3.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 2a55 s ARG 105 CO -0.10 0.68 0.27 0.00 0.02 0.00 0.00 175.30 176.17 2a55 n GLU 107 N 5.19 1.34 -3.83 0.00 4.07 -0.69 -2.91 120.64 123.80 2a55 n GLU 107 Ca -0.12 -1.55 -0.15 0.00 -0.06 0.00 0.00 57.16 55.29 2a55 n GLU 107 Cb 0.51 0.50 -0.16 0.00 -0.06 0.00 0.00 31.44 32.23 2a55 n GLU 107 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2a55 s VAL 108 N -1.86 0.00 0.00 6.31 1.01 -1.26 0.13 120.40 124.73 2a55 s VAL 108 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2a55 s VAL 108 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.27 2a55 s VAL 108 CO 0.01 0.08 0.07 0.00 0.00 0.00 0.00 175.10 175.27 2a55 n GLN 109 N 3.94 0.00 0.00 2.72 10.64 -1.26 -4.76 117.38 128.66 2a55 n GLN 109 Ca -0.24 -0.06 0.00 0.00 -1.83 0.00 0.00 57.00 54.87 2a55 n GLN 109 Cb 0.52 0.32 0.00 0.00 -0.86 0.00 0.00 30.24 30.22 2a55 n GLN 109 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2a55 n ASP 110 N 0.00 0.00 -2.16 2.61 8.00 -1.26 -4.95 116.55 118.79 2a55 n ASP 110 Ca -0.02 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.30 2a55 n ASP 110 Cb 0.20 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.22 2a55 n ASP 110 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2a55 n ARG 111 N 0.00 2.07 0.00 -1.24 5.12 -1.26 -4.58 116.66 116.77 2a55 n ARG 111 Ca 0.00 -1.56 0.00 0.00 -1.93 0.00 0.00 57.85 54.36 2a55 n ARG 111 Cb 0.00 -1.94 0.00 0.00 -1.16 0.00 0.00 32.46 29.36 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2a55 n GLY 112 N 1.48 2.22 3.64 -0.13 0.00 -1.26 -4.83 105.19 106.30 2a55 n GLY 112 Ca 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 2a55 n GLY 112 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2a55 s VAL 113 N -2.36 0.00 0.04 1.61 -7.23 -1.26 -4.72 120.40 106.49 2a55 s VAL 113 Ca 0.00 0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.26 2a55 s VAL 113 Cb 0.00 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 2a55 s VAL 113 CO 0.00 0.00 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.72 2a55 s GLY 114 N 0.56 1.45 -0.16 2.32 0.00 0.35 -4.53 107.32 107.31 2a55 s GLY 114 Ca -0.00 -1.25 -0.15 0.00 0.00 0.00 0.00 44.72 43.32 2a55 s GLY 114 CO -0.08 -1.13 0.34 -0.98 0.00 0.00 0.00 173.10 171.25 2a55 s TRP 115 N -0.84 3.46 0.11 1.90 0.23 -1.26 -1.70 118.94 120.83 2a55 s TRP 115 Ca 0.12 0.65 -0.17 0.00 -2.03 0.00 0.00 56.10 54.68 2a55 s TRP 115 Cb -0.10 -2.41 -0.05 0.00 0.03 0.00 0.00 33.47 30.94 2a55 s TRP 115 CO 0.03 0.18 1.57 0.66 0.96 0.00 0.00 176.95 180.35 2a55 h SER 116 N 6.81 0.53 -2.51 2.95 4.64 -1.93 -3.47 113.55 120.57 2a55 h SER 116 Ca -0.40 -0.28 0.14 0.00 -0.47 0.00 0.00 61.79 60.78 2a55 h SER 116 Cb 1.17 -0.14 -0.30 0.00 -0.31 0.00 0.00 62.40 62.82 2a55 h SER 116 CO 0.75 0.68 0.62 -2.28 -0.87 0.00 0.00 176.83 175.72 2a55 s HIS 117 N -5.11 -0.30 0.00 4.77 5.65 -1.26 -5.04 115.29 114.00 2a55 s HIS 117 Ca -0.13 0.66 0.00 0.00 0.25 0.00 0.00 55.06 55.84 2a55 s HIS 117 Cb 0.09 0.33 0.00 0.00 -1.18 0.00 0.00 32.58 31.81 2a55 s HIS 117 CO 0.76 -0.15 0.00 -0.35 -0.65 0.00 0.00 174.74 174.35 2a55 n PRO 118 N 2.59 3.18 -1.58 2.88 -0.04 -1.26 -4.77 135.00 136.01 2a55 n PRO 118 Ca -0.14 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.91 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 2.21 0.00 1.53 7.99 -1.26 -4.96 117.00 122.51 2a55 n LEU 119 Ca 0.00 0.96 0.00 0.00 -0.01 0.00 0.00 56.01 56.96 2a55 n LEU 119 Cb 0.00 -1.31 0.00 0.00 -0.11 0.00 0.00 43.42 42.00 2a55 n LEU 119 CO 0.00 -1.87 0.00 -0.81 -1.51 0.00 0.00 177.39 173.20 2a55 n PRO 120 N 0.04 1.23 -3.75 3.23 -0.04 -1.26 -5.01 135.00 129.43 2a55 n PRO 120 Ca 0.10 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.19 2a55 n PRO 120 Cb 0.41 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.74 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 3.32 -0.42 0.54 1.11 0.14 -4.96 119.66 119.09 2a55 s GLN 121 Ca 0.00 -0.70 -0.16 0.00 0.01 0.00 0.00 55.36 54.51 2a55 s GLN 121 Cb 0.00 -3.36 0.03 0.00 -1.01 0.00 0.00 33.01 28.66 2a55 s GLN 121 CO 0.00 -0.34 0.35 0.00 0.01 0.00 0.00 175.29 175.31 2a55 s GLU 123 N 1.80 1.53 0.78 0.00 2.12 -1.08 -4.90 118.70 118.95 2a55 s GLU 123 Ca 0.07 -0.91 -0.14 0.00 0.36 0.00 0.00 54.97 54.35 2a55 s GLU 123 Cb -0.19 -1.60 0.07 0.00 0.26 0.00 0.00 34.13 32.67 2a55 s GLU 123 CO 0.10 0.42 1.20 -1.50 -0.54 0.00 0.00 175.26 174.94 2a55 s ILE 124 N -0.71 2.19 0.41 -3.70 2.07 -1.26 -0.49 121.20 119.70 2a55 s ILE 124 Ca 0.08 0.08 -0.24 0.00 -1.41 0.00 0.00 60.65 59.16 2a55 s ILE 124 Cb -0.09 -2.54 -0.08 0.00 0.13 0.00 0.00 42.46 39.88 2a55 s ILE 124 CO 0.01 -0.06 1.11 -0.76 -1.91 0.00 0.00 174.94 173.34 2a55 s LEU 125 N -5.53 4.14 -0.66 8.50 1.43 0.15 -4.75 118.68 121.96 2a55 s LEU 125 Ca 0.73 2.20 -0.20 0.00 -1.03 0.00 0.00 54.13 55.83 2a55 s LEU 125 Cb -0.28 -4.13 0.10 0.00 0.03 0.00 0.00 46.19 41.91 2a55 s LEU 125 CO 0.49 -0.63 0.84 -0.70 0.23 0.00 0.00 176.35 176.57 2a55 s GLU 126 N -2.44 3.15 0.21 1.70 2.12 -1.26 -4.69 118.70 117.49 2a55 s GLU 126 Ca 0.58 -1.27 0.00 0.00 0.36 0.00 0.00 54.97 54.64 2a55 s GLU 126 Cb -0.27 -4.34 0.00 0.00 0.26 0.00 0.00 34.13 29.78 2a55 s GLU 126 CO 0.33 -1.65 0.00 0.72 -0.54 0.00 0.00 175.26 174.12 2a55 n HIS 127 N 6.69 -1.81 -3.87 5.30 8.25 -1.26 -5.17 115.22 123.35 2a55 n HIS 127 Ca -0.03 0.32 -0.07 0.00 -0.26 0.00 0.00 57.72 57.69 2a55 n HIS 127 Cb 0.44 0.55 -0.02 0.00 1.12 0.00 0.00 29.99 32.08 2a55 n HIS 127 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2a55 n HIS 128 N -3.21 -0.69 -3.71 4.41 1.44 -1.26 -5.19 115.22 107.01 2a55 n HIS 128 Ca 0.00 -1.01 -0.20 0.00 -2.01 0.00 0.00 57.72 54.51 2a55 n HIS 128 Cb 0.00 0.19 0.01 0.00 0.12 0.00 0.00 29.99 30.31 2a55 n HIS 128 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2a55 n HIS 129 N -0.24 -0.97 0.00 -1.40 1.44 -1.26 -5.09 115.22 107.69 2a55 n HIS 129 Ca 0.01 -1.77 0.00 0.00 -2.01 0.00 0.00 57.72 53.95 2a55 n HIS 129 Cb 0.24 -0.35 0.00 0.00 0.12 0.00 0.00 29.99 30.00 2a55 n HIS 129 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2a55 n HIS 130 N -1.54 0.00 0.00 -1.40 8.25 -1.26 -5.03 115.22 114.24 2a55 n HIS 130 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2a55 n HIS 130 Cb 0.48 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.62 2a55 n HIS 130 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2a55 n HIS 131 N -1.24 0.00 1.50 4.41 8.25 -1.26 -5.36 115.22 121.52 2a55 n HIS 131 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 2a55 n HIS 131 Cb 0.00 0.00 0.53 0.00 1.12 0.00 0.00 29.99 31.64 2a55 n HIS 131 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70