#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gb4 s THR 3 N 0.00 4.74 0.20 0.00 -4.23 -1.26 -5.04 115.64 110.04 3gb4 s THR 3 Ca 0.00 -1.83 0.08 0.00 -1.18 0.00 0.00 61.69 58.77 3gb4 s THR 3 Cb 0.00 -4.06 -0.04 0.00 1.34 0.00 0.00 72.50 69.74 3gb4 s THR 3 CO 0.00 -0.85 -0.16 -0.36 -0.54 0.00 0.00 174.62 172.71 3gb4 s PHE 4 N 1.23 1.80 -0.72 3.99 0.40 -1.26 -5.08 117.98 118.34 3gb4 s PHE 4 Ca 0.07 -0.51 -0.17 0.00 -0.60 0.00 0.00 56.93 55.72 3gb4 s PHE 4 Cb -0.25 -0.85 0.15 0.00 0.51 0.00 0.00 43.02 42.57 3gb4 s PHE 4 CO -0.00 0.38 0.76 0.08 0.70 0.00 0.00 175.22 177.14 3gb4 s VAL 5 N -2.56 5.13 0.18 -0.44 1.01 -1.26 -4.90 120.40 117.57 3gb4 s VAL 5 Ca 0.20 -1.66 0.13 0.00 0.00 0.00 0.00 61.98 60.66 3gb4 s VAL 5 Cb -0.03 -4.51 0.02 0.00 0.00 0.00 0.00 36.38 31.86 3gb4 s VAL 5 CO 0.07 -1.12 1.60 0.03 0.00 0.00 0.00 175.10 175.69 3gb4 h ARG 6 N 8.62 0.00 -4.35 2.72 3.08 -1.96 -3.38 114.38 119.11 3gb4 h ARG 6 Ca -0.09 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.23 3gb4 h ARG 6 Cb 1.06 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.98 3gb4 h ARG 6 CO 0.98 0.57 1.96 0.09 -1.07 0.00 0.00 179.97 182.49 3gb4 n ASN 7 N -3.61 4.96 -3.53 7.04 3.02 -1.26 -1.23 115.26 120.65 3gb4 n ASN 7 Ca -0.00 -3.00 -0.08 0.00 -0.03 0.00 0.00 54.58 51.46 3gb4 n ASN 7 Cb 0.63 -1.57 -0.02 0.00 -0.61 0.00 0.00 39.78 38.20 3gb4 n ASN 7 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gb4 s ALA 8 N 1.72 -1.87 0.07 5.41 0.00 -1.26 -5.03 121.76 120.79 3gb4 s ALA 8 Ca 0.44 1.18 -0.23 0.00 0.00 0.00 0.00 51.96 53.34 3gb4 s ALA 8 Cb 0.05 0.18 -0.06 0.00 0.00 0.00 0.00 23.12 23.28 3gb4 s ALA 8 CO 0.00 -0.62 0.70 -1.58 0.00 0.00 0.00 175.76 174.27 3gb4 s TRP 9 N -2.72 3.78 0.08 0.00 0.52 -1.26 -4.20 118.94 115.15 3gb4 s TRP 9 Ca 0.04 1.42 0.05 0.00 0.02 0.00 0.00 56.10 57.63 3gb4 s TRP 9 Cb -0.01 -2.72 -0.03 0.00 -1.15 0.00 0.00 33.47 29.56 3gb4 s TRP 9 CO -0.07 0.39 -0.12 0.71 0.02 0.00 0.00 176.95 177.88 3gb4 s TYR 10 N -0.50 1.15 -0.06 -1.98 1.51 -0.24 -4.92 117.35 112.31 3gb4 s TYR 10 Ca 0.35 -0.54 -0.27 0.00 -1.01 0.00 0.00 57.07 55.60 3gb4 s TYR 10 Cb -0.20 -0.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.98 3gb4 s TYR 10 CO 0.22 0.04 0.87 0.08 -1.11 0.00 0.00 175.55 175.65 3gb4 s VAL 11 N -1.77 4.92 -0.07 0.71 1.01 -1.26 -0.01 120.40 123.92 3gb4 s VAL 11 Ca 0.01 1.80 0.17 0.00 0.00 0.00 0.00 61.98 63.96 3gb4 s VAL 11 Cb -0.07 -4.20 -0.26 0.00 0.00 0.00 0.00 36.38 31.85 3gb4 s VAL 11 CO 0.02 0.15 0.28 0.00 0.00 0.00 0.00 175.10 175.54 3gb4 n ALA 12 N 4.20 2.29 -3.71 5.51 0.00 0.21 -4.74 120.51 124.27 3gb4 n ALA 12 Ca 0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 53.44 52.79 3gb4 n ALA 12 Cb 0.50 -0.44 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 3gb4 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gb4 s ALA 13 N -2.96 -1.85 0.00 0.00 0.00 -1.23 -5.05 121.76 110.67 3gb4 s ALA 13 Ca -0.07 0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 3gb4 s ALA 13 Cb 0.09 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 3gb4 s ALA 13 CO 0.73 -1.04 0.22 -0.51 0.00 0.00 0.00 175.76 175.16 3gb4 s LEU 14 N -2.95 4.37 0.30 0.00 1.43 -1.26 -1.79 118.68 118.77 3gb4 s LEU 14 Ca 0.13 0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.70 3gb4 s LEU 14 Cb 0.01 -2.67 0.74 0.00 0.03 0.00 0.00 46.19 44.30 3gb4 s LEU 14 CO 0.00 0.25 1.74 -0.65 0.23 0.00 0.00 176.35 177.92 3gb4 h PRO 15 N 3.82 0.56 0.00 1.29 0.11 -1.90 -0.74 132.00 135.13 3gb4 h PRO 15 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3gb4 h PRO 15 Cb 1.19 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gb4 h PRO 15 CO 0.68 0.37 -0.02 1.05 -0.21 0.00 0.00 178.00 179.88 3gb4 h GLU 16 N 0.57 0.00 0.00 1.05 9.09 -1.94 -2.05 114.58 121.30 3gb4 h GLU 16 Ca 0.57 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.96 3gb4 h GLU 16 Cb 1.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.09 3gb4 h GLU 16 CO -0.45 0.02 -0.08 0.93 0.05 0.00 0.00 179.01 179.48 3gb4 h GLU 17 N 0.00 0.00 -6.16 1.06 5.08 -1.53 -3.46 114.58 109.58 3gb4 h GLU 17 Ca -0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3gb4 h GLU 17 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3gb4 h GLU 17 CO 0.00 0.08 -0.27 -0.51 -1.00 0.00 0.00 179.01 177.31 3gb4 s LEU 18 N -6.28 4.29 0.00 1.33 1.43 -0.77 -4.92 118.68 113.76 3gb4 s LEU 18 Ca 0.05 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 3gb4 s LEU 18 Cb 0.07 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 43.09 3gb4 s LEU 18 CO 0.65 0.09 0.00 -1.54 0.23 0.00 0.00 176.35 175.78 3gb4 n SER 19 N 0.41 0.00 0.08 2.29 3.41 -1.26 -4.84 113.62 113.70 3gb4 n SER 19 Ca -0.05 -0.51 0.11 0.00 -0.26 0.00 0.00 58.87 58.17 3gb4 n SER 19 Cb 0.52 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.91 3gb4 n SER 19 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gb4 n GLU 20 N 0.00 0.13 -3.23 4.33 1.02 -1.26 -0.97 120.64 120.67 3gb4 n GLU 20 Ca 0.00 0.29 -0.42 0.00 -0.02 0.00 0.00 57.16 57.02 3gb4 n GLU 20 Cb 0.00 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 29.62 3gb4 n GLU 20 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3gb4 s LYS 21 N -3.16 3.56 0.40 3.49 2.20 -1.26 -4.39 119.74 120.58 3gb4 s LYS 21 Ca 0.07 -0.21 -0.25 0.00 -0.36 0.00 0.00 55.97 55.22 3gb4 s LYS 21 Cb 0.11 -3.83 -0.11 0.00 -1.51 0.00 0.00 37.83 32.49 3gb4 s LYS 21 CO 0.41 -0.69 1.08 -2.30 -0.36 0.00 0.00 175.35 173.49 3gb4 n PRO 22 N 5.79 1.51 -4.15 4.03 -0.02 -1.26 -4.88 135.00 136.02 3gb4 n PRO 22 Ca -0.04 0.54 -0.35 0.00 -2.02 0.00 0.00 63.50 61.63 3gb4 n PRO 22 Cb 0.49 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.73 3gb4 n PRO 22 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gb4 s LEU 23 N -0.69 3.11 -0.22 2.45 2.96 0.10 -4.90 118.68 121.49 3gb4 s LEU 23 Ca 0.62 -0.25 -0.15 0.00 -0.22 0.00 0.00 54.13 54.12 3gb4 s LEU 23 Cb -0.56 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 3gb4 s LEU 23 CO 0.58 0.07 0.39 -0.83 -1.32 0.00 0.00 176.35 175.23 3gb4 s GLY 24 N 0.97 2.02 -0.09 7.98 0.00 -1.26 -0.78 107.32 116.15 3gb4 s GLY 24 Ca 0.01 -0.62 -0.12 0.00 0.00 0.00 0.00 44.72 43.99 3gb4 s GLY 24 CO 0.01 0.86 0.30 -1.60 0.00 0.00 0.00 173.10 172.67 3gb4 s ARG 25 N 1.54 0.44 -0.20 2.90 6.06 -0.56 -4.98 118.95 124.15 3gb4 s ARG 25 Ca 0.18 0.25 -0.10 0.00 -2.50 0.00 0.00 55.73 53.56 3gb4 s ARG 25 Cb -0.15 0.20 -0.05 0.00 0.06 0.00 0.00 34.95 35.02 3gb4 s ARG 25 CO 0.08 -0.08 0.12 0.99 -2.50 0.00 0.00 175.30 173.92 3gb4 s THR 26 N -0.25 5.33 -0.12 4.11 2.01 -1.26 0.23 115.64 125.69 3gb4 s THR 26 Ca -0.04 0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.12 3gb4 s THR 26 Cb -0.03 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 69.07 3gb4 s THR 26 CO 0.01 0.44 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.66 3gb4 s ILE 27 N 0.36 1.16 -1.36 1.82 -1.09 0.37 -4.50 121.20 117.97 3gb4 s ILE 27 Ca 0.07 -0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 58.10 3gb4 s ILE 27 Cb -0.11 -1.15 0.01 0.00 -1.58 0.00 0.00 42.46 39.63 3gb4 s ILE 27 CO -0.02 0.39 0.63 0.18 -1.23 0.00 0.00 174.94 174.89 3gb4 n LEU 28 N 4.84 -2.77 -0.95 2.97 4.77 -0.08 -0.92 117.00 124.86 3gb4 n LEU 28 Ca -0.14 -0.88 -0.12 0.00 -0.03 0.00 0.00 56.01 54.83 3gb4 n LEU 28 Cb 0.50 -2.51 -0.05 0.00 -2.33 0.00 0.00 43.42 39.03 3gb4 n LEU 28 CO 0.18 0.42 -0.12 0.47 -1.33 0.00 0.00 177.39 177.01 3gb4 n ASP 29 N -3.01 -5.42 -4.24 -1.43 8.00 0.15 -4.97 116.55 105.63 3gb4 n ASP 29 Ca -0.28 0.31 -0.34 0.00 0.71 0.00 0.00 54.79 55.19 3gb4 n ASP 29 Cb 0.67 -4.01 -0.15 0.00 -0.02 0.00 0.00 41.12 37.61 3gb4 n ASP 29 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gb4 s THR 30 N -2.15 2.91 -0.09 -3.53 2.01 -0.10 -5.09 115.64 109.60 3gb4 s THR 30 Ca 0.00 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 3gb4 s THR 30 Cb 0.00 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.17 3gb4 s THR 30 CO 0.00 0.42 1.10 -2.16 -0.69 0.00 0.00 174.62 173.29 3gb4 s PRO 31 N 1.40 4.38 0.17 4.92 0.04 -1.26 -0.48 135.00 144.17 3gb4 s PRO 31 Ca 0.05 1.52 0.10 0.00 0.04 0.00 0.00 61.00 62.71 3gb4 s PRO 31 Cb -0.14 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 3gb4 s PRO 31 CO -0.06 -0.40 -0.17 -0.51 0.04 0.00 0.00 177.00 175.90 3gb4 s LEU 32 N 2.21 2.71 -0.28 -3.56 1.43 0.13 -0.57 118.68 120.75 3gb4 s LEU 32 Ca 0.52 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3gb4 s LEU 32 Cb -0.21 -1.45 0.05 0.00 0.03 0.00 0.00 46.19 44.61 3gb4 s LEU 32 CO 0.19 0.13 -0.05 0.00 0.23 0.00 0.00 176.35 176.85 3gb4 s ALA 33 N -1.56 2.70 -0.14 4.21 0.00 0.58 -1.50 121.76 126.06 3gb4 s ALA 33 Ca 0.22 -1.74 -0.02 0.00 0.00 0.00 0.00 51.96 50.42 3gb4 s ALA 33 Cb -0.09 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 3gb4 s ALA 33 CO 0.12 -1.20 -0.07 -0.51 0.00 0.00 0.00 175.76 174.10 3gb4 s LEU 34 N 1.20 3.08 0.16 0.00 1.43 0.04 -1.56 118.68 123.02 3gb4 s LEU 34 Ca -0.06 -0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 3gb4 s LEU 34 Cb -0.20 -1.72 0.07 0.00 0.03 0.00 0.00 46.19 44.37 3gb4 s LEU 34 CO -0.03 0.19 0.59 -0.72 0.23 0.00 0.00 176.35 176.61 3gb4 s TYR 35 N 0.22 -0.52 -0.23 0.29 -0.85 -0.94 0.02 117.35 115.34 3gb4 s TYR 35 Ca -0.04 0.30 -0.09 0.00 -0.52 0.00 0.00 57.07 56.72 3gb4 s TYR 35 Cb -0.14 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 3gb4 s TYR 35 CO 0.04 -0.84 0.12 0.50 -1.52 0.00 0.00 175.55 173.84 3gb4 s ARG 36 N -3.75 3.96 0.82 -3.49 3.52 -0.14 -0.47 118.95 119.39 3gb4 s ARG 36 Ca 0.01 -0.33 -0.12 0.00 -0.13 0.00 0.00 55.73 55.16 3gb4 s ARG 36 Cb -0.01 -3.42 0.08 0.00 -1.56 0.00 0.00 34.95 30.05 3gb4 s ARG 36 CO -0.13 0.06 1.10 -0.65 -0.81 0.00 0.00 175.30 174.87 3gb4 s GLN 37 N 1.02 1.88 0.54 5.12 -0.21 0.11 -4.01 119.66 124.11 3gb4 s GLN 37 Ca 0.06 0.61 0.25 0.00 0.02 0.00 0.00 55.36 56.31 3gb4 s GLN 37 Cb -0.14 -1.90 1.41 0.00 1.00 0.00 0.00 33.01 33.39 3gb4 s GLN 37 CO 0.04 -1.76 2.00 -1.00 -2.12 0.00 0.00 175.29 172.45 3gb4 h PRO 38 N -1.19 0.00 -0.01 2.91 0.13 -1.88 0.23 132.00 132.20 3gb4 h PRO 38 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3gb4 h PRO 38 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3gb4 h PRO 38 CO 0.59 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.96 3gb4 n ASP 39 N -4.33 0.10 0.00 1.44 3.85 -1.26 -4.88 116.55 111.47 3gb4 n ASP 39 Ca 0.09 -1.29 0.00 0.00 -0.71 0.00 0.00 54.79 52.88 3gb4 n ASP 39 Cb 0.58 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.35 3gb4 n ASP 39 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gb4 n GLY 40 N 0.88 1.06 3.75 6.12 0.00 0.82 -5.04 105.19 112.78 3gb4 n GLY 40 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3gb4 n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gb4 s VAL 41 N -2.91 4.72 0.28 1.61 1.01 -1.26 -4.72 120.40 119.14 3gb4 s VAL 41 Ca 0.00 1.59 -0.28 0.00 0.00 0.00 0.00 61.98 63.29 3gb4 s VAL 41 Cb 0.00 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 3gb4 s VAL 41 CO 0.00 0.38 0.95 -0.69 0.00 0.00 0.00 175.10 175.74 3gb4 s VAL 42 N -0.16 4.11 0.10 2.92 1.01 -1.26 -0.71 120.40 126.41 3gb4 s VAL 42 Ca 0.37 1.95 0.08 0.00 0.00 0.00 0.00 61.98 64.38 3gb4 s VAL 42 Cb -0.20 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 3gb4 s VAL 42 CO 0.22 0.33 -0.20 0.00 0.00 0.00 0.00 175.10 175.46 3gb4 s ALA 43 N -1.38 1.72 -0.20 5.51 0.00 0.38 -4.93 121.76 122.87 3gb4 s ALA 43 Ca 0.45 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 3gb4 s ALA 43 Cb -0.23 -0.22 0.07 0.00 0.00 0.00 0.00 23.12 22.74 3gb4 s ALA 43 CO 0.29 0.33 0.07 0.00 0.00 0.00 0.00 175.76 176.44 3gb4 s ALA 44 N -1.22 0.75 0.18 0.00 0.00 -1.26 -2.22 121.76 117.98 3gb4 s ALA 44 Ca 0.06 -0.60 0.10 0.00 0.00 0.00 0.00 51.96 51.51 3gb4 s ALA 44 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 3gb4 s ALA 44 CO 0.04 -1.24 -0.16 -0.51 0.00 0.00 0.00 175.76 173.90 3gb4 s LEU 45 N 1.99 2.75 0.12 0.00 1.43 -0.60 -0.87 118.68 123.50 3gb4 s LEU 45 Ca 0.02 -0.67 -0.31 0.00 -1.03 0.00 0.00 54.13 52.13 3gb4 s LEU 45 Cb -0.17 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.48 3gb4 s LEU 45 CO -0.12 0.12 1.63 -0.22 0.23 0.00 0.00 176.35 177.99 3gb4 s LEU 46 N -2.68 4.37 -0.44 1.79 2.96 -0.46 -0.31 118.68 123.91 3gb4 s LEU 46 Ca 0.22 2.58 -0.07 0.00 -0.22 0.00 0.00 54.13 56.64 3gb4 s LEU 46 Cb -0.09 -3.58 -0.21 0.00 0.50 0.00 0.00 46.19 42.81 3gb4 s LEU 46 CO 0.13 -0.87 3.35 -0.67 -1.32 0.00 0.00 176.35 176.96 3gb4 n ASP 47 N 4.81 6.03 -3.40 3.68 4.64 0.26 -4.67 116.55 127.91 3gb4 n ASP 47 Ca 0.15 -2.48 -0.13 0.00 -1.38 0.00 0.00 54.79 50.95 3gb4 n ASP 47 Cb 0.39 -1.41 -0.10 0.00 -1.04 0.00 0.00 41.12 38.96 3gb4 n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3gb4 s ILE 48 N 1.41 -0.49 0.28 5.18 1.01 -1.26 -4.21 121.20 123.12 3gb4 s ILE 48 Ca 0.66 -0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.83 3gb4 s ILE 48 Cb 0.27 -0.82 -0.11 0.00 0.01 0.00 0.00 42.46 41.81 3gb4 s ILE 48 CO -0.02 -0.22 1.54 0.00 0.00 0.00 0.00 174.94 176.24 3gb4 h PRO 50 N 4.89 0.00 0.00 0.00 0.11 -1.88 -0.42 132.00 134.70 3gb4 h PRO 50 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gb4 h PRO 50 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gb4 h PRO 50 CO 0.79 0.03 0.00 1.58 -0.21 0.00 0.00 178.00 180.18 3gb4 n HIS 51 N -3.29 0.00 -1.35 0.65 -0.00 -1.26 -4.69 115.22 105.28 3gb4 n HIS 51 Ca -0.02 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.22 3gb4 n HIS 51 Cb 0.16 -0.33 0.08 0.00 -0.12 0.00 0.00 29.99 29.78 3gb4 n HIS 51 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3gb4 n ARG 52 N -1.50 0.87 -1.11 1.57 1.74 -1.25 -5.03 116.66 111.96 3gb4 n ARG 52 Ca 0.00 -1.94 -0.04 0.00 -0.77 0.00 0.00 57.85 55.10 3gb4 n ARG 52 Cb 0.00 -1.11 -0.02 0.00 -1.02 0.00 0.00 32.46 30.31 3gb4 n ARG 52 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3gb4 n PHE 53 N -0.87 0.00 -1.53 -1.55 0.99 -0.17 -4.97 117.46 109.36 3gb4 n PHE 53 Ca 0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.21 3gb4 n PHE 53 Cb 0.64 -1.04 0.07 0.00 -1.00 0.00 0.00 39.48 38.16 3gb4 n PHE 53 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3gb4 s ALA 54 N -2.07 2.27 -0.36 4.37 0.00 -1.26 -4.24 121.76 120.47 3gb4 s ALA 54 Ca 0.00 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 3gb4 s ALA 54 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3gb4 s ALA 54 CO 0.00 -1.61 1.34 -1.25 0.00 0.00 0.00 175.76 174.24 3gb4 s PRO 55 N -4.16 3.75 0.54 0.00 0.04 -1.26 -1.01 135.00 132.91 3gb4 s PRO 55 Ca 0.69 1.07 0.28 0.00 0.04 0.00 0.00 61.00 63.08 3gb4 s PRO 55 Cb -0.23 -3.95 1.56 0.00 0.04 0.00 0.00 34.50 31.92 3gb4 s PRO 55 CO 0.45 -1.33 2.13 -0.07 0.04 0.00 0.00 177.00 178.21 3gb4 h LEU 56 N 11.48 0.00 -1.08 -3.56 3.38 -1.89 -2.07 115.31 121.57 3gb4 h LEU 56 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3gb4 h LEU 56 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3gb4 h LEU 56 CO 1.06 0.08 0.00 0.77 0.09 0.00 0.00 178.44 180.45 3gb4 h SER 57 N 0.00 0.00 -0.11 -0.43 4.64 -1.90 -0.92 113.55 114.83 3gb4 h SER 57 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gb4 h SER 57 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3gb4 h SER 57 CO 0.01 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.44 3gb4 n ASP 58 N -2.34 1.79 -3.11 4.97 10.43 -0.78 -4.52 116.55 122.99 3gb4 n ASP 58 Ca 0.01 -1.66 -0.10 0.00 2.57 0.00 0.00 54.79 55.61 3gb4 n ASP 58 Cb 0.17 -0.07 0.05 0.00 1.84 0.00 0.00 41.12 43.11 3gb4 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gb4 n GLY 59 N 1.18 0.74 3.35 0.44 0.00 -0.35 -4.75 105.19 105.81 3gb4 n GLY 59 Ca 0.17 -1.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.02 3gb4 n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gb4 s ILE 60 N -1.19 1.24 0.08 -0.61 -4.36 -1.23 -4.58 121.20 110.54 3gb4 s ILE 60 Ca 0.29 -2.07 -0.26 0.00 -0.26 0.00 0.00 60.65 58.35 3gb4 s ILE 60 Cb -0.02 -2.31 -0.06 0.00 1.25 0.00 0.00 42.46 41.33 3gb4 s ILE 60 CO 0.19 -0.38 0.82 -0.76 0.24 0.00 0.00 174.94 175.05 3gb4 s LEU 61 N -3.33 4.48 -0.23 0.37 1.02 -1.26 -1.02 118.68 118.71 3gb4 s LEU 61 Ca 0.27 1.57 -0.00 0.00 0.02 0.00 0.00 54.13 55.99 3gb4 s LEU 61 Cb 0.05 -3.33 0.06 0.00 0.02 0.00 0.00 46.19 42.99 3gb4 s LEU 61 CO 0.09 0.02 -0.02 -0.69 0.02 0.00 0.00 176.35 175.77 3gb4 s VAL 62 N -0.20 1.29 -1.37 -1.59 1.01 0.25 -4.72 120.40 115.07 3gb4 s VAL 62 Ca 0.40 -1.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 3gb4 s VAL 62 Cb -0.22 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.53 3gb4 s VAL 62 CO 0.25 -0.18 1.14 0.59 0.00 0.00 0.00 175.10 176.90 3gb4 n ASN 63 N 4.75 -5.72 0.00 3.32 3.02 -1.26 -1.64 115.26 117.72 3gb4 n ASN 63 Ca -0.10 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 3gb4 n ASN 63 Cb 0.44 -4.88 0.00 0.00 -0.61 0.00 0.00 39.78 34.73 3gb4 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gb4 n GLY 64 N -1.89 1.21 3.49 7.41 0.00 -1.26 -5.02 105.19 109.12 3gb4 n GLY 64 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3gb4 n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gb4 s HIS 65 N -3.82 2.68 -0.09 1.61 3.76 -0.65 -4.73 115.29 114.05 3gb4 s HIS 65 Ca 0.00 -0.17 -0.30 0.00 -0.15 0.00 0.00 55.06 54.44 3gb4 s HIS 65 Cb 0.00 -1.57 -0.03 0.00 1.11 0.00 0.00 32.58 32.09 3gb4 s HIS 65 CO 0.00 0.23 1.32 -1.17 -0.85 0.00 0.00 174.74 174.27 3gb4 s LEU 66 N -1.06 4.25 -0.19 0.89 2.96 -1.00 0.86 118.68 125.39 3gb4 s LEU 66 Ca 0.13 1.87 -0.09 0.00 -0.22 0.00 0.00 54.13 55.82 3gb4 s LEU 66 Cb -0.11 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 3gb4 s LEU 66 CO 0.03 -0.72 0.09 -1.58 -1.32 0.00 0.00 176.35 172.85 3gb4 s GLN 67 N 3.00 4.07 0.21 1.98 0.74 -0.19 -1.22 119.66 128.24 3gb4 s GLN 67 Ca 0.59 -0.29 -0.31 0.00 0.05 0.00 0.00 55.36 55.40 3gb4 s GLN 67 Cb -0.26 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.45 3gb4 s GLN 67 CO 0.21 0.29 1.47 0.00 -0.55 0.00 0.00 175.29 176.70 3gb4 n PRO 69 N 3.01 0.07 -0.02 0.00 -0.04 -1.26 -2.48 135.00 134.27 3gb4 n PRO 69 Ca 0.09 0.17 -0.01 0.00 -0.04 0.00 0.00 63.50 63.72 3gb4 n PRO 69 Cb 0.40 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.36 3gb4 n PRO 69 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3gb4 h TYR 70 N 0.00 0.00 -0.01 0.54 -0.00 -1.93 -3.44 116.97 112.12 3gb4 h TYR 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3gb4 h TYR 70 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.00 3gb4 h TYR 70 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 178.16 178.88 3gb4 n HIS 71 N -2.88 0.03 -0.88 -3.82 8.25 -1.26 -5.04 115.22 109.63 3gb4 n HIS 71 Ca -0.02 -0.76 0.00 0.00 -0.26 0.00 0.00 57.72 56.69 3gb4 n HIS 71 Cb 0.06 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.06 3gb4 n HIS 71 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gb4 n GLY 72 N -0.94 0.75 3.76 -1.41 0.00 -1.04 -4.83 105.19 101.48 3gb4 n GLY 72 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3gb4 n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gb4 s LEU 73 N 0.00 4.09 -0.01 0.99 1.43 -1.26 -4.59 118.68 119.33 3gb4 s LEU 73 Ca 0.00 2.92 0.06 0.00 -1.03 0.00 0.00 54.13 56.07 3gb4 s LEU 73 Cb 0.00 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 3gb4 s LEU 73 CO 0.00 -1.22 -0.18 -1.61 0.23 0.00 0.00 176.35 173.57 3gb4 s GLU 74 N -2.50 2.25 0.10 1.70 2.02 -0.58 -0.46 118.70 121.23 3gb4 s GLU 74 Ca 0.62 -0.86 0.06 0.00 0.02 0.00 0.00 54.97 54.81 3gb4 s GLU 74 Cb -0.44 -2.24 -0.03 0.00 0.10 0.00 0.00 34.13 31.52 3gb4 s GLU 74 CO 0.56 0.58 -0.15 -0.06 0.02 0.00 0.00 175.26 176.20 3gb4 s PHE 75 N -0.79 1.38 0.54 1.61 0.40 -0.36 -0.68 117.98 120.07 3gb4 s PHE 75 Ca 0.13 -0.50 0.05 0.00 -0.60 0.00 0.00 56.93 56.01 3gb4 s PHE 75 Cb -0.10 -0.75 0.05 0.00 0.51 0.00 0.00 43.02 42.73 3gb4 s PHE 75 CO 0.02 0.12 0.74 0.16 0.70 0.00 0.00 175.22 176.96 3gb4 s ASP 76 N -2.08 5.22 0.61 1.36 1.47 -0.23 -2.37 116.67 120.65 3gb4 s ASP 76 Ca 0.04 -0.42 0.30 0.00 1.18 0.00 0.00 52.55 53.65 3gb4 s ASP 76 Cb -0.08 -0.37 1.60 0.00 -0.34 0.00 0.00 42.92 43.74 3gb4 s ASP 76 CO 0.03 -1.18 1.98 1.23 0.68 0.00 0.00 175.17 177.91 3gb4 h GLY 77 N 0.20 0.00 -0.83 2.12 0.00 -1.90 0.20 103.07 102.86 3gb4 h GLY 77 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3gb4 h GLY 77 CO 0.45 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.60 3gb4 n GLY 78 N -1.38 0.30 1.50 4.60 0.00 -1.26 -4.56 105.19 104.38 3gb4 n GLY 78 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3gb4 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gb4 n GLY 79 N 1.19 0.76 3.72 -0.02 0.00 0.70 -4.44 105.19 107.10 3gb4 n GLY 79 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3gb4 n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gb4 s GLN 80 N -0.44 4.63 -0.22 1.61 0.74 -1.26 -0.31 119.66 124.41 3gb4 s GLN 80 Ca 0.00 1.49 -0.29 0.00 0.05 0.00 0.00 55.36 56.61 3gb4 s GLN 80 Cb 0.00 -3.39 -0.01 0.00 1.10 0.00 0.00 33.01 30.71 3gb4 s GLN 80 CO 0.00 0.09 1.37 0.00 -0.55 0.00 0.00 175.29 176.19 3gb4 n VAL 82 N 5.91 0.00 -3.63 0.00 0.24 0.14 -4.94 118.33 116.05 3gb4 n VAL 82 Ca 0.15 -0.22 -0.04 0.00 -2.04 0.00 0.00 64.34 62.19 3gb4 n VAL 82 Cb 0.45 1.20 -0.06 0.00 -1.47 0.00 0.00 33.84 33.97 3gb4 n VAL 82 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3gb4 s HIS 83 N -2.48 -1.10 -0.26 6.34 2.46 -1.19 -4.98 115.29 114.08 3gb4 s HIS 83 Ca 0.16 2.06 0.02 0.00 0.47 0.00 0.00 55.06 57.76 3gb4 s HIS 83 Cb 0.17 0.66 0.07 0.00 -0.13 0.00 0.00 32.58 33.34 3gb4 s HIS 83 CO 0.60 -0.54 -0.05 1.21 -2.47 0.00 0.00 174.74 173.49 3gb4 s ASN 84 N 2.09 4.13 0.00 9.88 2.47 -1.26 -1.53 114.94 130.72 3gb4 s ASN 84 Ca -0.08 -1.38 0.15 0.00 0.42 0.00 0.00 52.86 51.97 3gb4 s ASN 84 Cb -0.07 -1.32 0.91 0.00 -1.45 0.00 0.00 41.25 39.32 3gb4 s ASN 84 CO -0.19 -0.25 1.48 -0.81 -3.72 0.00 0.00 177.10 173.61 3gb4 n PRO 85 N 4.56 0.85 -4.22 0.43 -0.04 -1.26 -4.25 135.00 131.08 3gb4 n PRO 85 Ca -0.10 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.02 3gb4 n PRO 85 Cb 0.43 -1.28 -0.08 0.00 -0.04 0.00 0.00 33.50 32.53 3gb4 n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3gb4 s HIS 86 N -2.00 3.20 0.00 0.54 3.76 -1.26 -4.90 115.29 114.63 3gb4 s HIS 86 Ca 0.23 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.32 3gb4 s HIS 86 Cb 0.10 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 32.06 3gb4 s HIS 86 CO 0.18 0.51 0.00 0.41 -0.85 0.00 0.00 174.74 174.99 3gb4 n GLY 87 N 1.54 3.09 0.00 -2.22 0.00 -1.26 -0.54 105.19 105.80 3gb4 n GLY 87 Ca -0.15 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.83 3gb4 n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gb4 n ASN 88 N 2.79 0.00 -0.87 1.61 0.23 -1.26 -4.85 115.26 112.92 3gb4 n ASN 88 Ca 0.00 -0.46 -0.11 0.00 -0.53 0.00 0.00 54.58 53.48 3gb4 n ASN 88 Cb 0.00 -0.09 -0.04 0.00 -2.08 0.00 0.00 39.78 37.57 3gb4 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gb4 n GLY 89 N 0.37 1.13 3.74 4.83 0.00 0.30 -4.98 105.19 110.58 3gb4 n GLY 89 Ca 0.14 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 3gb4 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gb4 s ALA 90 N -2.42 2.48 -0.53 4.61 0.00 -1.26 -4.49 121.76 120.14 3gb4 s ALA 90 Ca 0.00 1.09 0.05 0.00 0.00 0.00 0.00 51.96 53.10 3gb4 s ALA 90 Cb 0.00 -3.49 0.19 0.00 0.00 0.00 0.00 23.12 19.82 3gb4 s ALA 90 CO 0.00 -1.33 0.46 0.54 0.00 0.00 0.00 175.76 175.43 3gb4 n ARG 91 N -1.72 1.05 -1.21 0.00 1.74 -1.26 -4.80 116.66 110.46 3gb4 n ARG 91 Ca 0.14 -3.77 -0.32 0.00 -0.77 0.00 0.00 57.85 53.13 3gb4 n ARG 91 Cb 0.49 -1.88 0.10 0.00 -1.02 0.00 0.00 32.46 30.16 3gb4 n ARG 91 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gb4 s PRO 92 N -0.88 2.02 0.60 5.56 0.04 -1.26 -4.89 135.00 136.18 3gb4 s PRO 92 Ca 0.31 1.35 0.30 0.00 0.04 0.00 0.00 61.00 63.00 3gb4 s PRO 92 Cb 0.04 -1.86 1.70 0.00 0.04 0.00 0.00 34.50 34.43 3gb4 s PRO 92 CO -0.16 -1.85 2.12 0.00 0.04 0.00 0.00 177.00 177.15 3gb4 h ALA 93 N -1.06 1.73 0.00 8.56 0.00 -2.00 -0.89 119.26 125.60 3gb4 h ALA 93 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gb4 h ALA 93 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3gb4 h ALA 93 CO 0.49 -0.26 0.00 -1.13 0.00 0.00 0.00 179.25 178.35 3gb4 n SER 94 N -3.74 0.17 -0.51 0.00 3.41 -1.26 -2.07 113.62 109.62 3gb4 n SER 94 Ca 0.01 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 3gb4 n SER 94 Cb 0.30 -0.59 0.38 0.00 -0.26 0.00 0.00 64.21 64.04 3gb4 n SER 94 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gb4 n LEU 95 N -1.71 1.69 -4.80 1.04 4.77 -0.34 -4.90 117.00 112.75 3gb4 n LEU 95 Ca 0.01 -0.55 -0.35 0.00 -0.03 0.00 0.00 56.01 55.09 3gb4 n LEU 95 Cb 0.10 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 3gb4 n LEU 95 CO 0.09 0.29 0.65 0.20 -1.33 0.00 0.00 177.39 177.29 3gb4 s ASN 96 N -2.14 7.10 0.08 -1.43 0.01 -0.88 -4.39 114.94 113.29 3gb4 s ASN 96 Ca 0.32 1.77 0.04 0.00 -0.71 0.00 0.00 52.86 54.27 3gb4 s ASN 96 Cb 0.20 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 3gb4 s ASN 96 CO 0.39 -0.24 0.04 0.54 -1.51 0.00 0.00 177.10 176.31 3gb4 s VAL 97 N -1.92 4.25 0.28 1.60 0.11 0.58 -4.83 120.40 120.47 3gb4 s VAL 97 Ca 0.57 -0.88 -0.30 0.00 -2.93 0.00 0.00 61.98 58.44 3gb4 s VAL 97 Cb -0.14 -3.04 -0.11 0.00 -1.53 0.00 0.00 36.38 31.57 3gb4 s VAL 97 CO 0.18 0.12 1.51 -0.60 -3.33 0.00 0.00 175.10 172.99 3gb4 s ARG 98 N -2.34 4.19 0.02 1.54 3.52 -1.26 -4.37 118.95 120.26 3gb4 s ARG 98 Ca 0.27 2.45 0.08 0.00 -0.13 0.00 0.00 55.73 58.40 3gb4 s ARG 98 Cb -0.12 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 3gb4 s ARG 98 CO 0.20 -0.52 -0.21 0.45 -0.81 0.00 0.00 175.30 174.40 3gb4 s SER 99 N 0.35 3.52 -0.04 -2.12 0.15 -1.26 -1.35 113.70 112.95 3gb4 s SER 99 Ca 0.60 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.80 3gb4 s SER 99 Cb -0.45 -0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 63.33 3gb4 s SER 99 CO 0.48 0.27 -0.04 -0.36 1.20 0.00 0.00 173.24 174.79 3gb4 s PHE 100 N -0.82 3.01 0.25 3.44 0.40 -0.05 -4.99 117.98 119.21 3gb4 s PHE 100 Ca 0.13 0.06 -0.31 0.00 -0.60 0.00 0.00 56.93 56.21 3gb4 s PHE 100 Cb -0.10 -1.70 -0.12 0.00 0.51 0.00 0.00 43.02 41.61 3gb4 s PHE 100 CO 0.03 0.40 1.67 -2.30 0.70 0.00 0.00 175.22 175.72 3gb4 n PRO 101 N 1.89 2.74 -3.87 0.24 -0.02 -1.26 -4.56 135.00 130.16 3gb4 n PRO 101 Ca -0.17 0.98 -0.13 0.00 -2.02 0.00 0.00 63.50 62.17 3gb4 n PRO 101 Cb 0.53 -2.80 -0.14 0.00 -0.02 0.00 0.00 33.50 31.06 3gb4 n PRO 101 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gb4 s VAL 102 N 0.65 0.02 -0.05 -1.45 0.11 -1.26 -2.25 120.40 116.17 3gb4 s VAL 102 Ca 0.70 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 3gb4 s VAL 102 Cb -0.50 -0.04 0.02 0.00 -1.53 0.00 0.00 36.38 34.33 3gb4 s VAL 102 CO 0.39 0.02 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.48 3gb4 s VAL 103 N 0.18 0.40 -0.34 2.04 1.01 0.02 -4.99 120.40 118.71 3gb4 s VAL 103 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 3gb4 s VAL 103 Cb -0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 3gb4 s VAL 103 CO -0.01 0.21 0.43 -0.70 0.00 0.00 0.00 175.10 175.04 3gb4 s GLU 104 N 1.25 3.62 -0.10 2.72 2.12 -1.26 -0.67 118.70 126.38 3gb4 s GLU 104 Ca -0.06 -0.26 -0.16 0.00 0.36 0.00 0.00 54.97 54.85 3gb4 s GLU 104 Cb -0.14 -3.79 0.04 0.00 0.26 0.00 0.00 34.13 30.50 3gb4 s GLU 104 CO -0.02 -0.56 0.41 0.50 -0.54 0.00 0.00 175.26 175.05 3gb4 s ARG 105 N 2.20 0.61 -1.57 4.30 3.52 -0.22 -4.93 118.95 122.86 3gb4 s ARG 105 Ca 0.15 0.28 -0.13 0.00 -0.13 0.00 0.00 55.73 55.90 3gb4 s ARG 105 Cb -0.16 0.28 0.10 0.00 -1.56 0.00 0.00 34.95 33.61 3gb4 s ARG 105 CO 0.12 -0.13 0.86 -0.25 -0.81 0.00 0.00 175.30 175.09 3gb4 n ASP 106 N 2.11 -3.71 -3.62 -2.12 8.00 -1.26 -1.06 116.55 114.88 3gb4 n ASP 106 Ca -0.17 -0.88 -0.26 0.00 0.71 0.00 0.00 54.79 54.19 3gb4 n ASP 106 Cb 0.57 -3.46 0.04 0.00 -0.02 0.00 0.00 41.12 38.26 3gb4 n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gb4 n ALA 107 N -4.54 -1.22 -3.03 2.24 0.00 -1.26 -4.75 120.51 107.94 3gb4 n ALA 107 Ca 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.62 3gb4 n ALA 107 Cb 0.54 -4.66 -0.11 0.00 0.00 0.00 0.00 19.45 15.23 3gb4 n ALA 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gb4 s LEU 108 N -7.15 1.91 -0.38 0.00 1.43 -0.22 -4.36 118.68 109.91 3gb4 s LEU 108 Ca 0.56 -0.34 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 3gb4 s LEU 108 Cb -0.27 0.36 0.06 0.00 0.03 0.00 0.00 46.19 46.38 3gb4 s LEU 108 CO 0.70 -0.32 0.18 -0.63 0.23 0.00 0.00 176.35 176.51 3gb4 s ILE 109 N -1.36 3.89 -0.04 -0.59 -1.09 -0.74 -1.06 121.20 120.21 3gb4 s ILE 109 Ca -0.15 -1.36 -0.13 0.00 -2.23 0.00 0.00 60.65 56.78 3gb4 s ILE 109 Cb -0.09 -3.33 -0.05 0.00 -1.58 0.00 0.00 42.46 37.41 3gb4 s ILE 109 CO 0.00 -0.38 0.34 0.26 -1.23 0.00 0.00 174.94 173.94 3gb4 s TRP 110 N 1.38 3.68 0.04 3.97 0.52 0.15 -0.62 118.94 128.06 3gb4 s TRP 110 Ca 0.01 0.87 0.03 0.00 0.02 0.00 0.00 56.10 57.03 3gb4 s TRP 110 Cb -0.21 -2.22 -0.02 0.00 -1.15 0.00 0.00 33.47 29.87 3gb4 s TRP 110 CO 0.02 0.64 -0.09 0.42 0.02 0.00 0.00 176.95 177.95 3gb4 s ILE 111 N -0.97 0.70 -0.39 2.03 1.01 0.98 -0.80 121.20 123.76 3gb4 s ILE 111 Ca 0.21 -0.94 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 3gb4 s ILE 111 Cb -0.15 -0.70 0.08 0.00 0.01 0.00 0.00 42.46 41.70 3gb4 s ILE 111 CO 0.11 -0.20 0.18 0.86 0.00 0.00 0.00 174.94 175.89 3gb4 s TRP 112 N -1.04 3.40 -1.44 3.97 -0.11 -0.95 -1.07 118.94 121.70 3gb4 s TRP 112 Ca -0.05 -1.88 0.29 0.00 1.22 0.00 0.00 56.10 55.68 3gb4 s TRP 112 Cb -0.08 -2.83 1.24 0.00 -1.50 0.00 0.00 33.47 30.31 3gb4 s TRP 112 CO 0.01 -0.87 1.88 -0.35 -4.62 0.00 0.00 176.95 173.00 3gb4 n PRO 113 N 4.74 0.46 0.00 5.86 -0.04 -1.25 -4.25 135.00 140.52 3gb4 n PRO 113 Ca -0.08 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 3gb4 n PRO 113 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3gb4 n PRO 113 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gb4 n GLY 114 N 1.33 1.77 3.59 0.55 0.00 -0.37 -4.94 105.19 107.13 3gb4 n GLY 114 Ca 0.12 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 3gb4 n GLY 114 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gb4 n ASP 115 N 0.00 3.19 0.30 1.61 -0.08 -1.26 -4.84 116.55 115.47 3gb4 n ASP 115 Ca 0.00 0.17 0.17 0.00 -1.51 0.00 0.00 54.79 53.63 3gb4 n ASP 115 Cb 0.00 -1.55 0.98 0.00 2.34 0.00 0.00 41.12 42.89 3gb4 n ASP 115 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3gb4 h PRO 116 N 15.22 0.00 0.00 -0.67 0.13 -1.93 -1.46 132.00 143.29 3gb4 h PRO 116 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 3gb4 h PRO 116 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 3gb4 h PRO 116 CO 0.97 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 178.70 3gb4 h ALA 117 N 1.95 1.01 -0.44 -0.56 0.00 -2.01 -3.03 119.26 116.18 3gb4 h ALA 117 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gb4 h ALA 117 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gb4 h ALA 117 CO -0.00 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.58 3gb4 n LEU 118 N -3.16 3.39 -4.59 0.00 4.77 -0.55 -4.93 117.00 111.93 3gb4 n LEU 118 Ca 0.01 -1.51 -0.43 0.00 -0.03 0.00 0.00 56.01 54.04 3gb4 n LEU 118 Cb 0.33 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3gb4 n LEU 118 CO 0.29 0.76 0.93 0.00 -1.33 0.00 0.00 177.39 178.03 3gb4 s ALA 119 N -1.42 3.20 -0.29 -1.18 0.00 -1.15 -5.01 121.76 115.91 3gb4 s ALA 119 Ca 0.40 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 3gb4 s ALA 119 Cb 0.23 -3.80 0.05 0.00 0.00 0.00 0.00 23.12 19.60 3gb4 s ALA 119 CO 0.31 -2.16 -0.03 0.34 0.00 0.00 0.00 175.76 174.22 3gb4 s ASP 120 N 2.36 4.73 0.56 0.00 2.15 -1.26 -4.99 116.67 120.23 3gb4 s ASP 120 Ca 0.44 -1.25 0.25 0.00 0.43 0.00 0.00 52.55 52.42 3gb4 s ASP 120 Cb -0.08 -1.67 1.35 0.00 -0.30 0.00 0.00 42.92 42.21 3gb4 s ASP 120 CO 0.29 -0.23 1.73 1.55 -0.17 0.00 0.00 175.17 178.34 3gb4 h PRO 121 N 7.95 0.00 0.00 4.34 0.13 -2.01 -0.95 132.00 141.46 3gb4 h PRO 121 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3gb4 h PRO 121 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3gb4 h PRO 121 CO 0.52 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.70 3gb4 n GLY 122 N -1.24 -1.14 1.22 1.56 0.00 -1.26 -3.25 105.19 101.07 3gb4 n GLY 122 Ca -0.02 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.98 3gb4 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gb4 n ALA 123 N -1.23 2.41 -2.45 4.61 0.00 -0.36 -4.94 120.51 118.54 3gb4 n ALA 123 Ca 0.15 -1.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 3gb4 n ALA 123 Cb 0.20 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 3gb4 n ALA 123 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gb4 s ILE 124 N -1.33 4.19 0.52 0.00 1.01 -1.20 -4.93 121.20 119.46 3gb4 s ILE 124 Ca 0.42 1.54 -0.20 0.00 0.00 0.00 0.00 60.65 62.42 3gb4 s ILE 124 Cb 0.24 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.62 3gb4 s ILE 124 CO 0.32 0.05 0.62 -2.65 0.00 0.00 0.00 174.94 173.28 3gb4 n PRO 125 N 4.62 0.65 -3.16 2.79 -0.02 -1.26 -4.93 135.00 133.69 3gb4 n PRO 125 Ca 0.10 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.41 3gb4 n PRO 125 Cb 0.46 -1.73 -0.07 0.00 -0.02 0.00 0.00 33.50 32.14 3gb4 n PRO 125 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3gb4 s ASP 126 N -1.08 6.36 -0.34 2.55 2.15 -1.26 -4.91 116.67 120.15 3gb4 s ASP 126 Ca 0.67 -0.04 0.10 0.00 0.43 0.00 0.00 52.55 53.72 3gb4 s ASP 126 Cb -0.49 -2.30 0.46 0.00 -0.30 0.00 0.00 42.92 40.28 3gb4 s ASP 126 CO 0.55 -0.60 1.12 0.49 -0.17 0.00 0.00 175.17 176.56 3gb4 n PHE 127 N 5.99 2.51 -0.21 -5.34 3.01 -1.26 -4.90 117.46 117.26 3gb4 n PHE 127 Ca -0.03 -2.57 0.18 0.00 1.01 0.00 0.00 57.45 56.05 3gb4 n PHE 127 Cb 0.48 -0.24 0.52 0.00 -0.01 0.00 0.00 39.48 40.23 3gb4 n PHE 127 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3gb4 h GLY 128 N 2.48 0.77 0.82 1.37 0.00 -1.92 -2.14 103.07 104.45 3gb4 h GLY 128 Ca 0.20 -0.17 0.16 0.00 0.00 0.00 0.00 47.33 47.52 3gb4 h GLY 128 CO 0.66 0.02 0.44 0.00 0.00 0.00 0.00 176.54 177.65 3gb4 h ARG 130 N 0.00 0.00 0.00 0.00 3.08 -1.68 -2.78 114.38 112.99 3gb4 h ARG 130 Ca 0.26 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 3gb4 h ARG 130 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 3gb4 h ARG 130 CO -0.00 0.01 -0.13 1.33 -1.07 0.00 0.00 179.97 180.10 3gb4 n VAL 131 N -3.15 1.40 -3.09 2.04 0.24 -0.51 -4.82 118.33 110.43 3gb4 n VAL 131 Ca -0.02 -1.69 -0.40 0.00 -2.04 0.00 0.00 64.34 60.19 3gb4 n VAL 131 Cb 0.15 -0.05 -0.06 0.00 -1.47 0.00 0.00 33.84 32.41 3gb4 n VAL 131 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gb4 s ASP 132 N -2.40 6.71 0.45 -1.34 -1.08 -1.05 -4.93 116.67 113.03 3gb4 s ASP 132 Ca 0.24 0.86 0.26 0.00 -0.52 0.00 0.00 52.55 53.39 3gb4 s ASP 132 Cb 0.21 -2.36 1.41 0.00 -1.46 0.00 0.00 42.92 40.72 3gb4 s ASP 132 CO 0.02 -0.29 1.77 1.55 0.52 0.00 0.00 175.17 178.74 3gb4 h PRO 133 N 7.48 0.00 -0.00 4.34 0.13 -1.94 0.10 132.00 142.11 3gb4 h PRO 133 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3gb4 h PRO 133 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3gb4 h PRO 133 CO 0.78 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.47 3gb4 n ALA 134 N -1.81 2.63 -2.44 -0.56 0.00 -1.26 -4.84 120.51 112.24 3gb4 n ALA 134 Ca -0.02 -0.19 -0.26 0.00 0.00 0.00 0.00 53.44 52.98 3gb4 n ALA 134 Cb 0.17 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.10 3gb4 n ALA 134 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gb4 s TYR 135 N -2.69 2.18 -0.21 0.00 1.51 0.35 -4.59 117.35 113.90 3gb4 s TYR 135 Ca 0.23 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.89 3gb4 s TYR 135 Cb 0.20 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.97 3gb4 s TYR 135 CO 0.51 0.47 -0.09 0.50 -1.11 0.00 0.00 175.55 175.82 3gb4 s ARG 136 N -2.73 3.22 -0.13 -0.62 6.06 -0.01 -4.78 118.95 119.95 3gb4 s ARG 136 Ca 0.20 -0.72 -0.01 0.00 -2.50 0.00 0.00 55.73 52.70 3gb4 s ARG 136 Cb -0.07 -2.87 -0.02 0.00 0.06 0.00 0.00 34.95 32.04 3gb4 s ARG 136 CO 0.09 -0.22 -0.09 0.99 -2.50 0.00 0.00 175.30 173.57 3gb4 s THR 137 N 1.41 3.41 0.01 4.11 2.01 -1.26 -1.24 115.64 124.09 3gb4 s THR 137 Ca 0.05 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.53 3gb4 s THR 137 Cb -0.14 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 3gb4 s THR 137 CO -0.06 0.52 -0.07 0.68 -0.69 0.00 0.00 174.62 175.00 3gb4 s VAL 138 N 0.18 0.51 0.00 3.82 -7.23 -0.68 -4.97 120.40 112.04 3gb4 s VAL 138 Ca -0.05 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 3gb4 s VAL 138 Cb -0.15 -0.48 0.00 0.00 0.56 0.00 0.00 36.38 36.32 3gb4 s VAL 138 CO 0.04 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 3gb4 n GLY 139 N 2.50 1.50 0.00 2.32 0.00 -1.26 -0.63 105.19 109.62 3gb4 n GLY 139 Ca -0.16 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3gb4 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gb4 n GLY 140 N 0.00 0.91 3.31 -0.02 0.00 -0.48 -4.98 105.19 103.93 3gb4 n GLY 140 Ca 0.00 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 3gb4 n GLY 140 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gb4 s TYR 141 N -3.91 2.08 -0.06 1.61 5.04 -1.26 -1.93 117.35 118.91 3gb4 s TYR 141 Ca 0.00 -0.39 -0.07 0.00 -2.44 0.00 0.00 57.07 54.17 3gb4 s TYR 141 Cb 0.00 -1.20 0.02 0.00 0.35 0.00 0.00 41.96 41.12 3gb4 s TYR 141 CO 0.00 0.17 0.19 0.20 -1.34 0.00 0.00 175.55 174.76 3gb4 s GLY 142 N -1.47 -0.11 -0.12 8.97 0.00 0.01 -5.01 107.32 109.58 3gb4 s GLY 142 Ca 0.10 0.43 -0.03 0.00 0.00 0.00 0.00 44.72 45.22 3gb4 s GLY 142 CO 0.03 0.34 0.01 -1.58 0.00 0.00 0.00 173.10 171.90 3gb4 s HIS 143 N -0.17 3.15 -0.03 1.90 2.46 -1.26 -0.01 115.29 121.33 3gb4 s HIS 143 Ca -0.03 0.06 0.02 0.00 0.47 0.00 0.00 55.06 55.58 3gb4 s HIS 143 Cb -0.02 -1.89 0.01 0.00 -0.13 0.00 0.00 32.58 30.55 3gb4 s HIS 143 CO 0.01 0.29 -0.07 0.08 -2.47 0.00 0.00 174.74 172.57 3gb4 s VAL 144 N -0.33 0.69 -1.49 0.89 1.01 -0.65 -4.99 120.40 115.53 3gb4 s VAL 144 Ca 0.07 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 3gb4 s VAL 144 Cb -0.12 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.62 3gb4 s VAL 144 CO 0.02 0.24 2.69 0.47 0.00 0.00 0.00 175.10 178.52 3gb4 n ASP 145 N 3.60 8.39 -3.84 3.32 8.00 -1.26 -1.13 116.55 133.64 3gb4 n ASP 145 Ca -0.21 -2.83 -0.10 0.00 0.71 0.00 0.00 54.79 52.36 3gb4 n ASP 145 Cb 0.53 -1.47 -0.08 0.00 -0.02 0.00 0.00 41.12 40.08 3gb4 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gb4 s ASN 147 N -2.50 6.62 0.56 0.00 3.84 -1.25 -2.99 114.94 119.21 3gb4 s ASN 147 Ca 0.00 2.79 0.26 0.00 0.21 0.00 0.00 52.86 56.12 3gb4 s ASN 147 Cb 0.02 -2.65 1.48 0.00 -0.55 0.00 0.00 41.25 39.55 3gb4 s ASN 147 CO -0.08 -0.67 2.03 0.10 -2.79 0.00 0.00 177.10 175.69 3gb4 h TYR 148 N 3.71 0.00 0.00 0.43 -0.00 -1.83 -1.93 116.97 117.34 3gb4 h TYR 148 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.22 3gb4 h TYR 148 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.95 3gb4 h TYR 148 CO 0.56 0.00 -0.10 0.87 -0.00 0.00 0.00 178.16 179.50 3gb4 h LYS 149 N 0.00 0.00 -0.04 0.10 1.57 -1.96 -1.95 116.57 114.29 3gb4 h LYS 149 Ca 0.17 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 3gb4 h LYS 149 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3gb4 h LYS 149 CO -0.00 0.10 -0.62 -0.07 -0.57 0.00 0.00 179.45 178.28 3gb4 h LEU 150 N 0.00 0.17 0.00 2.94 3.38 -1.72 -1.43 115.31 118.65 3gb4 h LEU 150 Ca -0.00 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3gb4 h LEU 150 Cb 0.36 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3gb4 h LEU 150 CO 0.01 0.75 -0.75 -0.07 0.09 0.00 0.00 178.44 178.47 3gb4 h LEU 151 N 0.11 0.00 -0.17 1.67 3.38 -1.50 -2.15 115.31 116.64 3gb4 h LEU 151 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3gb4 h LEU 151 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3gb4 h LEU 151 CO 0.09 0.69 -0.06 0.58 0.09 0.00 0.00 178.44 179.83 3gb4 h VAL 152 N 0.00 1.30 -0.51 1.22 2.07 -1.20 -1.48 116.25 117.64 3gb4 h VAL 152 Ca -0.02 -1.07 0.09 0.00 0.82 0.00 0.00 66.70 66.53 3gb4 h VAL 152 Cb 1.54 1.64 -0.07 0.00 -1.52 0.00 0.00 31.29 32.88 3gb4 h VAL 152 CO 0.09 0.32 0.08 0.44 0.02 0.00 0.00 177.57 178.51 3gb4 h ASP 153 N 0.04 -0.05 -0.15 0.57 3.32 -1.24 -1.65 116.42 117.26 3gb4 h ASP 153 Ca 0.04 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.21 3gb4 h ASP 153 Cb 0.52 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3gb4 h ASP 153 CO 0.02 -0.00 0.00 -1.13 -1.72 0.00 0.00 179.24 176.41 3gb4 h ASN 154 N 0.21 -0.05 0.51 6.45 -0.73 -1.18 -2.83 115.58 117.95 3gb4 h ASN 154 Ca 0.26 0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.40 3gb4 h ASN 154 Cb 0.36 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 3gb4 h ASN 154 CO -0.36 -0.00 -0.26 -0.07 -0.37 0.00 0.00 177.43 176.37 3gb4 h LEU 155 N 0.05 0.00 -0.15 0.34 3.38 -0.85 -2.68 115.31 115.40 3gb4 h LEU 155 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gb4 h LEU 155 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gb4 h LEU 155 CO -0.11 0.26 -0.08 0.23 0.09 0.00 0.00 178.44 178.82 3gb4 n MET 156 N -3.76 0.60 -3.55 1.13 2.81 -0.66 -4.04 117.12 109.65 3gb4 n MET 156 Ca -0.01 -0.15 -0.27 0.00 -1.81 0.00 0.00 57.70 55.45 3gb4 n MET 156 Cb 0.36 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.28 3gb4 n MET 156 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3gb4 n ASP 157 N -1.07 2.38 0.15 7.83 -0.08 -1.01 -4.37 116.55 120.39 3gb4 n ASP 157 Ca 0.14 -3.10 0.11 0.00 -1.51 0.00 0.00 54.79 50.43 3gb4 n ASP 157 Cb 0.27 -0.68 0.55 0.00 2.34 0.00 0.00 41.12 43.60 3gb4 n ASP 157 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3gb4 n LEU 158 N 1.60 0.57 0.14 -2.67 7.99 -1.26 -2.64 117.00 120.73 3gb4 n LEU 158 Ca 0.25 0.73 0.10 0.00 -0.01 0.00 0.00 56.01 57.09 3gb4 n LEU 158 Cb 0.42 -0.77 0.52 0.00 -0.11 0.00 0.00 43.42 43.48 3gb4 n LEU 158 CO 0.28 -0.85 0.81 0.61 -1.51 0.00 0.00 177.39 176.73 3gb4 n GLY 159 N -1.00 -0.94 0.24 -0.72 0.00 -1.26 -2.08 105.19 99.43 3gb4 n GLY 159 Ca -0.01 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.27 3gb4 n GLY 159 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3gb4 h HIS 160 N 0.00 0.00 -0.13 1.61 2.07 -1.85 -2.67 115.15 114.18 3gb4 h HIS 160 Ca 0.00 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.56 3gb4 h HIS 160 Cb 0.09 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.07 3gb4 h HIS 160 CO 0.00 0.17 0.31 0.00 -3.07 0.00 0.00 177.93 175.35 3gb4 h ALA 161 N 1.83 1.58 0.00 6.11 0.00 -1.69 0.20 119.26 127.28 3gb4 h ALA 161 Ca -0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3gb4 h ALA 161 Cb 0.42 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3gb4 h ALA 161 CO 0.02 -0.38 -0.33 1.96 0.00 0.00 0.00 179.25 180.52 3gb4 h GLN 162 N 0.00 0.00 0.00 0.00 1.08 -1.71 -2.53 115.11 111.95 3gb4 h GLN 162 Ca 0.06 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 3gb4 h GLN 162 Cb 0.69 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 3gb4 h GLN 162 CO -0.00 0.33 -0.85 0.66 -0.95 0.00 0.00 178.83 178.02 3gb4 n TYR 163 N -3.84 0.00 -0.36 2.96 4.02 0.43 -3.90 117.16 116.47 3gb4 n TYR 163 Ca -0.01 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.90 3gb4 n TYR 163 Cb 0.40 -0.31 0.17 0.00 -0.02 0.00 0.00 39.34 39.58 3gb4 n TYR 163 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3gb4 h VAL 164 N -0.48 1.09 -0.37 -0.72 2.07 -0.99 -2.13 116.25 114.71 3gb4 h VAL 164 Ca -0.10 -0.40 -0.19 0.00 0.82 0.00 0.00 66.70 66.84 3gb4 h VAL 164 Cb 0.72 -0.17 -0.11 0.00 -1.52 0.00 0.00 31.29 30.21 3gb4 h VAL 164 CO -0.06 0.21 -0.05 1.41 0.02 0.00 0.00 177.57 179.10 3gb4 n HIS 165 N -4.52 1.16 -0.24 1.57 8.25 -0.97 -4.83 115.22 115.64 3gb4 n HIS 165 Ca 0.15 -1.60 -0.04 0.00 -0.26 0.00 0.00 57.72 55.97 3gb4 n HIS 165 Cb 0.18 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 30.76 3gb4 n HIS 165 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3gb4 n ARG 166 N -1.11 -0.21 0.24 -0.41 0.63 -0.80 0.48 116.66 115.48 3gb4 n ARG 166 Ca 0.34 0.91 0.14 0.00 -0.92 0.00 0.00 57.85 58.31 3gb4 n ARG 166 Cb 1.06 -1.34 0.79 0.00 0.45 0.00 0.00 32.46 33.42 3gb4 n ARG 166 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gb4 h ALA 167 N 0.51 1.82 0.00 5.13 0.00 -1.88 -2.23 119.26 122.61 3gb4 h ALA 167 Ca 0.14 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.75 3gb4 h ALA 167 Cb 0.29 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3gb4 h ALA 167 CO -0.57 -0.12 -2.14 0.09 0.00 0.00 0.00 179.25 176.51 3gb4 n ASN 168 N -4.10 1.57 0.00 0.00 3.02 0.18 -4.73 115.26 111.21 3gb4 n ASN 168 Ca -0.01 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 3gb4 n ASN 168 Cb 0.18 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 3gb4 n ASN 168 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gb4 n ALA 169 N -2.80 1.70 -1.99 5.41 0.00 0.56 -1.10 120.51 122.28 3gb4 n ALA 169 Ca -0.31 -0.84 -0.42 0.00 0.00 0.00 0.00 53.44 51.88 3gb4 n ALA 169 Cb 0.97 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.39 3gb4 n ALA 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3gb4 s GLN 170 N -0.68 4.27 0.01 0.00 0.74 -0.84 -4.60 119.66 118.56 3gb4 s GLN 170 Ca 0.00 2.25 0.07 0.00 0.05 0.00 0.00 55.36 57.73 3gb4 s GLN 170 Cb 0.00 -3.17 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 3gb4 s GLN 170 CO 0.00 -0.49 -0.23 0.99 -0.55 0.00 0.00 175.29 175.02 3gb4 s THR 171 N 0.77 1.80 -1.17 -0.34 2.01 -1.26 -4.50 115.64 112.95 3gb4 s THR 171 Ca 0.65 -1.11 0.06 0.00 0.31 0.00 0.00 61.69 61.60 3gb4 s THR 171 Cb -0.41 -1.53 0.27 0.00 0.01 0.00 0.00 72.50 70.84 3gb4 s THR 171 CO 0.34 0.39 1.02 -0.90 -0.69 0.00 0.00 174.62 174.78 3gb4 n ASP 172 N 2.18 2.22 -0.17 3.53 5.75 -1.26 -3.23 116.55 125.57 3gb4 n ASP 172 Ca -0.16 -2.21 0.08 0.00 -0.01 0.00 0.00 54.79 52.48 3gb4 n ASP 172 Cb 0.53 -0.43 0.11 0.00 -1.03 0.00 0.00 41.12 40.29 3gb4 n ASP 172 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gb4 n ALA 173 N 0.23 2.20 0.05 2.12 0.00 -1.26 -4.74 120.51 119.11 3gb4 n ALA 173 Ca 0.09 -2.24 0.01 0.00 0.00 0.00 0.00 53.44 51.30 3gb4 n ALA 173 Cb 0.46 -0.41 0.33 0.00 0.00 0.00 0.00 19.45 19.82 3gb4 n ALA 173 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3gb4 h PHE 174 N 0.00 0.43 0.00 0.00 3.57 -1.96 -2.33 116.94 116.65 3gb4 h PHE 174 Ca -0.00 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 3gb4 h PHE 174 Cb 1.10 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 3gb4 h PHE 174 CO 0.03 0.48 -0.07 0.22 -2.23 0.00 0.00 178.31 176.74 3gb4 h ASP 175 N 0.39 0.00 -0.76 0.41 3.58 -1.88 -2.62 116.42 115.55 3gb4 h ASP 175 Ca 0.08 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.12 3gb4 h ASP 175 Cb 0.37 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 41.18 3gb4 h ASP 175 CO 0.02 0.07 0.36 0.54 -2.88 0.00 0.00 179.24 177.35 3gb4 n ARG 176 N -3.46 2.17 -2.79 0.28 1.74 -0.88 -5.01 116.66 108.71 3gb4 n ARG 176 Ca -0.02 -3.14 -0.35 0.00 -0.77 0.00 0.00 57.85 53.58 3gb4 n ARG 176 Cb 0.21 -2.06 -0.07 0.00 -1.02 0.00 0.00 32.46 29.52 3gb4 n ARG 176 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3gb4 s LEU 177 N -3.34 4.09 -0.11 0.55 2.34 -0.99 -4.42 118.68 116.80 3gb4 s LEU 177 Ca 0.53 1.76 0.02 0.00 0.06 0.00 0.00 54.13 56.50 3gb4 s LEU 177 Cb 0.45 -4.34 0.02 0.00 -0.56 0.00 0.00 46.19 41.76 3gb4 s LEU 177 CO 0.06 -0.27 -0.15 -1.83 -1.06 0.00 0.00 176.35 173.10 3gb4 s GLU 178 N -2.76 2.18 0.14 1.48 -1.05 -0.69 -4.95 118.70 113.05 3gb4 s GLU 178 Ca 0.58 -0.55 0.06 0.00 -0.15 0.00 0.00 54.97 54.91 3gb4 s GLU 178 Cb -0.13 -1.87 -0.04 0.00 -0.44 0.00 0.00 34.13 31.65 3gb4 s GLU 178 CO 0.17 -0.07 0.01 1.03 0.95 0.00 0.00 175.26 177.36 3gb4 s ARG 179 N 1.01 2.50 -0.00 -4.83 0.52 -1.26 -1.65 118.95 115.24 3gb4 s ARG 179 Ca -0.06 -0.98 -0.07 0.00 -0.52 0.00 0.00 55.73 54.09 3gb4 s ARG 179 Cb -0.15 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 32.87 3gb4 s ARG 179 CO -0.02 0.49 0.14 -1.21 0.02 0.00 0.00 175.30 174.72 3gb4 s GLU 180 N -2.72 0.48 -0.05 3.54 0.41 -0.65 -4.99 118.70 114.72 3gb4 s GLU 180 Ca 0.27 -0.37 -0.00 0.00 -0.41 0.00 0.00 54.97 54.46 3gb4 s GLU 180 Cb -0.10 0.20 0.03 0.00 -1.78 0.00 0.00 34.13 32.47 3gb4 s GLU 180 CO 0.19 -0.11 0.00 0.08 -0.49 0.00 0.00 175.26 174.93 3gb4 s VAL 181 N -1.33 0.25 -0.21 2.63 1.01 -1.26 0.03 120.40 121.53 3gb4 s VAL 181 Ca -0.14 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 3gb4 s VAL 181 Cb -0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 3gb4 s VAL 181 CO 0.02 0.20 0.00 -0.63 0.00 0.00 0.00 175.10 174.68 3gb4 s ILE 182 N 1.47 3.90 -0.06 2.22 1.01 -0.05 -4.96 121.20 124.73 3gb4 s ILE 182 Ca -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 3gb4 s ILE 182 Cb -0.13 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 3gb4 s ILE 182 CO -0.03 0.42 0.01 0.68 0.00 0.00 0.00 174.94 176.02 3gb4 s VAL 183 N 1.14 4.35 0.15 2.92 -7.23 -1.26 -0.26 120.40 120.20 3gb4 s VAL 183 Ca 0.03 -0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 59.87 3gb4 s VAL 183 Cb -0.14 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.94 3gb4 s VAL 183 CO 0.01 0.54 0.21 0.61 -0.31 0.00 0.00 175.10 176.16 3gb4 n GLY 184 N 1.92 2.69 3.61 2.32 0.00 0.24 -4.99 105.19 110.98 3gb4 n GLY 184 Ca -0.17 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 3gb4 n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gb4 s ASP 185 N -1.90 6.52 -1.20 1.61 2.15 -1.26 -3.02 116.67 119.58 3gb4 s ASP 185 Ca 0.12 0.84 0.00 0.00 0.43 0.00 0.00 52.55 53.94 3gb4 s ASP 185 Cb -0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 3gb4 s ASP 185 CO 0.09 -1.28 0.00 0.61 -0.17 0.00 0.00 175.17 174.42 3gb4 n GLY 186 N 4.78 1.19 3.12 2.66 0.00 -1.26 -4.96 105.19 110.71 3gb4 n GLY 186 Ca 0.15 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 3gb4 n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gb4 s GLU 187 N -2.81 0.27 -0.02 1.61 2.12 -1.17 -1.50 118.70 117.19 3gb4 s GLU 187 Ca 0.00 0.50 0.01 0.00 0.36 0.00 0.00 54.97 55.83 3gb4 s GLU 187 Cb 0.00 -0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.40 3gb4 s GLU 187 CO 0.00 -0.11 -0.02 0.42 -0.54 0.00 0.00 175.26 175.00 3gb4 s ILE 188 N 0.84 0.27 -0.01 -3.70 1.01 -0.95 0.80 121.20 119.46 3gb4 s ILE 188 Ca -0.06 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.61 3gb4 s ILE 188 Cb -0.07 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 3gb4 s ILE 188 CO -0.06 0.13 -0.20 -1.10 0.00 0.00 0.00 174.94 173.72 3gb4 s GLN 189 N 0.55 1.56 -0.16 2.79 -0.21 0.64 -0.95 119.66 123.88 3gb4 s GLN 189 Ca -0.06 -0.72 0.02 0.00 0.02 0.00 0.00 55.36 54.62 3gb4 s GLN 189 Cb -0.09 -1.52 0.01 0.00 1.00 0.00 0.00 33.01 32.41 3gb4 s GLN 189 CO -0.01 0.42 -0.20 0.00 -2.12 0.00 0.00 175.29 173.37 3gb4 s ALA 190 N -0.48 2.31 -0.09 6.09 0.00 -0.59 -0.87 121.76 128.13 3gb4 s ALA 190 Ca 0.07 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3gb4 s ALA 190 Cb -0.08 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 3gb4 s ALA 190 CO -0.01 -0.14 -0.07 -0.51 0.00 0.00 0.00 175.76 175.03 3gb4 s LEU 191 N 0.98 3.14 -0.01 0.00 1.43 0.10 -1.66 118.68 122.67 3gb4 s LEU 191 Ca -0.03 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3gb4 s LEU 191 Cb -0.15 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 3gb4 s LEU 191 CO -0.05 0.32 -0.10 -0.04 0.23 0.00 0.00 176.35 176.71 3gb4 s MET 192 N -0.55 0.78 -0.05 1.70 -1.94 -0.95 -1.64 119.30 116.65 3gb4 s MET 192 Ca 0.08 -0.34 0.00 0.00 -1.71 0.00 0.00 55.69 53.72 3gb4 s MET 192 Cb -0.12 -0.75 0.03 0.00 2.01 0.00 0.00 34.83 35.99 3gb4 s MET 192 CO 0.02 0.20 -0.01 0.21 -0.01 0.00 0.00 175.02 175.43 3gb4 s LYS 193 N -0.21 0.55 -0.47 2.03 2.47 -0.66 -1.66 119.74 121.79 3gb4 s LYS 193 Ca 0.04 0.04 -0.01 0.00 -1.56 0.00 0.00 55.97 54.47 3gb4 s LYS 193 Cb -0.04 -0.75 0.13 0.00 -1.46 0.00 0.00 37.83 35.71 3gb4 s LYS 193 CO -0.00 -0.17 0.25 0.42 0.16 0.00 0.00 175.35 176.00 3gb4 s ILE 194 N 1.31 3.15 0.07 5.43 1.01 0.57 -1.70 121.20 131.04 3gb4 s ILE 194 Ca -0.05 -2.51 -0.29 0.00 0.00 0.00 0.00 60.65 57.80 3gb4 s ILE 194 Cb -0.13 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 3gb4 s ILE 194 CO -0.02 -0.74 0.93 -2.16 0.00 0.00 0.00 174.94 172.94 3gb4 s PRO 195 N 0.59 4.62 -1.25 2.79 0.04 -1.26 -0.60 135.00 139.94 3gb4 s PRO 195 Ca 0.12 1.36 -0.21 0.00 0.04 0.00 0.00 61.00 62.32 3gb4 s PRO 195 Cb -0.22 -3.40 0.01 0.00 0.04 0.00 0.00 34.50 30.94 3gb4 s PRO 195 CO -0.04 0.16 0.62 0.41 0.04 0.00 0.00 177.00 178.18 3gb4 n GLY 196 N 2.46 -0.73 3.61 0.56 0.00 -0.96 -4.96 105.19 105.17 3gb4 n GLY 196 Ca 0.02 0.34 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 3gb4 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gb4 s GLY 197 N -3.72 2.66 0.06 -0.02 0.00 0.03 -4.71 107.32 101.63 3gb4 s GLY 197 Ca 0.36 -1.20 -0.30 0.00 0.00 0.00 0.00 44.72 43.58 3gb4 s GLY 197 CO 0.92 -2.00 1.05 -1.59 0.00 0.00 0.00 173.10 171.49 3gb4 s THR 198 N -3.04 4.43 0.45 0.90 2.01 -1.26 -0.39 115.64 118.74 3gb4 s THR 198 Ca 0.21 1.83 -0.25 0.00 0.31 0.00 0.00 61.69 63.79 3gb4 s THR 198 Cb 0.04 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.30 3gb4 s THR 198 CO 0.11 0.19 1.35 -2.16 -0.69 0.00 0.00 174.62 173.42 3gb4 s PRO 199 N 0.64 3.71 0.92 4.92 0.04 -1.26 -4.47 135.00 139.49 3gb4 s PRO 199 Ca 0.53 2.24 -0.12 0.00 0.04 0.00 0.00 61.00 63.69 3gb4 s PRO 199 Cb -0.25 -2.61 0.14 0.00 0.04 0.00 0.00 34.50 31.82 3gb4 s PRO 199 CO 0.30 -0.74 1.11 -1.54 0.04 0.00 0.00 177.00 176.17 3gb4 s SER 200 N -0.73 3.41 0.25 6.66 1.04 -1.26 -4.73 113.70 118.34 3gb4 s SER 200 Ca 0.61 1.17 -0.03 0.00 0.48 0.00 0.00 55.95 58.18 3gb4 s SER 200 Cb -0.40 -1.81 0.48 0.00 0.10 0.00 0.00 66.02 64.38 3gb4 s SER 200 CO 0.50 -2.64 1.76 0.58 0.98 0.00 0.00 173.24 174.43 3gb4 h VAL 201 N -1.55 0.75 -0.05 5.02 2.07 -1.81 -0.73 116.25 119.95 3gb4 h VAL 201 Ca -0.51 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3gb4 h VAL 201 Cb 1.31 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3gb4 h VAL 201 CO 0.59 0.11 -0.06 0.25 0.02 0.00 0.00 177.57 178.48 3gb4 h LEU 202 N 0.60 0.15 -1.52 2.57 5.85 -1.44 -2.80 115.31 118.71 3gb4 h LEU 202 Ca 0.43 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3gb4 h LEU 202 Cb 0.58 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3gb4 h LEU 202 CO -0.34 0.61 0.35 0.24 -0.34 0.00 0.00 178.44 178.96 3gb4 h MET 203 N -0.32 0.62 0.00 1.25 2.86 -1.73 0.25 114.93 117.87 3gb4 h MET 203 Ca 0.01 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 3gb4 h MET 203 Cb 0.57 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 3gb4 h MET 203 CO 0.01 0.41 -0.34 0.00 1.06 0.00 0.00 176.91 178.06 3gb4 h ALA 204 N 1.69 1.35 -0.41 6.32 0.00 -1.12 -1.50 119.26 125.59 3gb4 h ALA 204 Ca 0.20 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3gb4 h ALA 204 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gb4 h ALA 204 CO -0.05 0.42 -0.08 0.87 0.00 0.00 0.00 179.25 180.41 3gb4 h LYS 205 N 0.00 0.77 -0.37 0.00 1.79 -0.68 -0.63 116.57 117.45 3gb4 h LYS 205 Ca -0.00 -0.29 -0.09 0.00 -2.18 0.00 0.00 60.65 58.09 3gb4 h LYS 205 Cb 0.63 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 3gb4 h LYS 205 CO 0.04 0.89 -0.12 0.74 -1.08 0.00 0.00 179.45 179.92 3gb4 h PHE 206 N 0.59 0.83 0.00 -1.35 0.04 -1.04 -3.17 116.94 112.84 3gb4 h PHE 206 Ca 0.10 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 3gb4 h PHE 206 Cb 0.60 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 3gb4 h PHE 206 CO 0.05 0.90 -0.14 -0.07 -0.60 0.00 0.00 178.31 178.45 3gb4 h LEU 207 N 0.53 0.00 -1.50 1.54 3.38 -1.23 -3.48 115.31 114.56 3gb4 h LEU 207 Ca 0.09 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 3gb4 h LEU 207 Cb 0.65 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.53 3gb4 h LEU 207 CO 0.04 0.14 -0.58 0.54 0.09 0.00 0.00 178.44 178.67 3gb4 n ARG 208 N -3.25 -5.46 0.00 1.13 5.12 -0.26 -4.60 116.66 109.34 3gb4 n ARG 208 Ca 0.01 0.66 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 3gb4 n ARG 208 Cb 0.42 -5.13 0.00 0.00 -1.16 0.00 0.00 32.46 26.59 3gb4 n ARG 208 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gb4 n GLY 209 N -1.26 1.00 1.41 -0.13 0.00 -1.12 -5.09 105.19 100.00 3gb4 n GLY 209 Ca -0.16 -0.74 -0.00 0.00 0.00 0.00 0.00 46.02 45.12 3gb4 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gb4 n ALA 210 N -1.00 -2.97 -0.01 4.61 0.00 -1.26 -4.81 120.51 115.08 3gb4 n ALA 210 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 53.44 53.65 3gb4 n ALA 210 Cb 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.98 3gb4 n ALA 210 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3gb4 h ASN 211 N 0.65 0.00 -2.58 0.00 -0.73 -2.00 -3.48 115.58 107.44 3gb4 h ASN 211 Ca -0.04 0.00 -0.51 0.00 1.87 0.00 0.00 56.30 57.62 3gb4 h ASN 211 Cb 0.09 0.00 0.23 0.00 0.27 0.00 0.00 38.32 38.91 3gb4 h ASN 211 CO 0.00 0.07 -1.22 0.35 -0.37 0.00 0.00 177.43 176.26 3gb4 n THR 212 N -2.46 0.00 -0.82 -3.57 -2.24 -1.26 -4.90 114.28 99.03 3gb4 n THR 212 Ca -0.01 -0.26 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 3gb4 n THR 212 Cb 0.02 -0.41 0.13 0.00 -2.10 0.00 0.00 70.33 67.97 3gb4 n THR 212 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3gb4 n PRO 213 N -0.39 -0.26 -4.63 -0.78 -0.02 -1.26 -4.68 135.00 122.98 3gb4 n PRO 213 Ca 0.02 -0.03 -0.25 0.00 -2.02 0.00 0.00 63.50 61.23 3gb4 n PRO 213 Cb 0.59 -1.98 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 3gb4 n PRO 213 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gb4 s VAL 214 N -2.39 1.54 -0.17 -1.45 1.01 0.48 -2.35 120.40 117.06 3gb4 s VAL 214 Ca 0.60 -1.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 3gb4 s VAL 214 Cb -0.23 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 3gb4 s VAL 214 CO 0.64 0.20 0.01 -1.81 0.00 0.00 0.00 175.10 174.14 3gb4 s ASP 215 N -1.06 5.17 0.00 3.32 1.01 -0.84 -0.79 116.67 123.48 3gb4 s ASP 215 Ca 0.06 -0.05 0.07 0.00 0.71 0.00 0.00 52.55 53.35 3gb4 s ASP 215 Cb -0.08 -1.87 -0.02 0.00 1.01 0.00 0.00 42.92 41.96 3gb4 s ASP 215 CO 0.01 0.16 -0.22 0.00 0.21 0.00 0.00 175.17 175.33 3gb4 s ALA 216 N 0.46 1.85 -0.08 5.23 0.00 0.23 -2.16 121.76 127.29 3gb4 s ALA 216 Ca -0.00 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.00 3gb4 s ALA 216 Cb -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.55 3gb4 s ALA 216 CO 0.02 0.44 -0.20 -1.58 0.00 0.00 0.00 175.76 174.45 3gb4 s TRP 217 N -0.60 2.11 -0.43 0.00 0.51 -0.50 -0.32 118.94 119.71 3gb4 s TRP 217 Ca 0.09 -0.80 0.02 0.00 -2.12 0.00 0.00 56.10 53.29 3gb4 s TRP 217 Cb -0.09 -1.44 0.14 0.00 -0.81 0.00 0.00 33.47 31.27 3gb4 s TRP 217 CO -0.00 -0.33 0.24 -0.80 -0.51 0.00 0.00 176.95 175.55 3gb4 s ASN 218 N 0.37 3.53 0.21 2.95 -0.87 -0.66 -2.01 114.94 118.44 3gb4 s ASN 218 Ca -0.15 -2.59 0.06 0.00 -1.57 0.00 0.00 52.86 48.62 3gb4 s ASN 218 Cb -0.16 -0.94 -0.04 0.00 -0.02 0.00 0.00 41.25 40.09 3gb4 s ASN 218 CO 0.06 -0.27 0.17 -1.81 -2.57 0.00 0.00 177.10 172.68 3gb4 s ASP 219 N 0.43 5.54 -0.18 -1.22 1.01 -0.29 -2.25 116.67 119.71 3gb4 s ASP 219 Ca 0.18 -0.18 -0.15 0.00 0.71 0.00 0.00 52.55 53.11 3gb4 s ASP 219 Cb -0.23 -1.43 0.05 0.00 1.01 0.00 0.00 42.92 42.31 3gb4 s ASP 219 CO -0.00 0.02 0.46 -0.51 0.21 0.00 0.00 175.17 175.34 3gb4 s ILE 220 N -1.93 -0.01 -0.11 0.77 2.07 -0.66 -0.00 121.20 121.33 3gb4 s ILE 220 Ca 0.32 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.59 3gb4 s ILE 220 Cb -0.09 -0.65 -0.01 0.00 0.13 0.00 0.00 42.46 41.84 3gb4 s ILE 220 CO 0.24 0.01 -0.15 -0.60 -1.91 0.00 0.00 174.94 172.53 3gb4 s ARG 221 N 0.53 3.13 -0.09 3.50 3.52 0.10 -1.54 118.95 128.10 3gb4 s ARG 221 Ca -0.02 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.86 3gb4 s ARG 221 Cb -0.04 -2.52 -0.02 0.00 -1.56 0.00 0.00 34.95 30.81 3gb4 s ARG 221 CO -0.03 0.29 -0.11 -0.46 -0.81 0.00 0.00 175.30 174.18 3gb4 s TRP 222 N 0.12 2.82 0.07 5.12 -0.00 -0.12 -1.51 118.94 125.43 3gb4 s TRP 222 Ca -0.07 -0.29 0.08 0.00 -0.00 0.00 0.00 56.10 55.81 3gb4 s TRP 222 Cb -0.15 -1.75 -0.03 0.00 -0.00 0.00 0.00 33.47 31.54 3gb4 s TRP 222 CO 0.05 0.06 -0.22 -0.80 -0.00 0.00 0.00 176.95 176.04 3gb4 s ASN 223 N -0.27 2.70 0.00 5.86 0.01 -0.36 -2.24 114.94 120.63 3gb4 s ASN 223 Ca 0.03 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.57 3gb4 s ASN 223 Cb -0.13 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.33 3gb4 s ASN 223 CO 0.03 0.15 0.00 1.17 -1.51 0.00 0.00 177.10 176.94 3gb4 n LYS 224 N 1.54 0.00 0.00 -0.60 4.81 -0.56 -3.14 118.16 120.20 3gb4 n LYS 224 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 3gb4 n LYS 224 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 3gb4 n LYS 224 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3gb4 n VAL 225 N 0.00 0.00 -2.72 3.15 0.31 -1.26 -4.51 118.33 113.30 3gb4 n VAL 225 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3gb4 n VAL 225 Cb 0.00 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.02 3gb4 n VAL 225 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3gb4 n SER 226 N 5.12 -0.16 -4.22 4.52 3.41 -1.22 -4.97 113.62 116.10 3gb4 n SER 226 Ca 0.00 -2.34 -0.34 0.00 -0.26 0.00 0.00 58.87 55.93 3gb4 n SER 226 Cb 0.00 0.21 -0.15 0.00 -0.26 0.00 0.00 64.21 64.00 3gb4 n SER 226 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gb4 s ALA 227 N -1.57 2.50 0.08 7.33 0.00 -1.19 -1.74 121.76 127.17 3gb4 s ALA 227 Ca 0.21 -1.15 0.06 0.00 0.00 0.00 0.00 51.96 51.08 3gb4 s ALA 227 Cb 0.41 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 3gb4 s ALA 227 CO -0.06 -0.26 -0.16 -1.64 0.00 0.00 0.00 175.76 173.64 3gb4 s MET 228 N 1.17 0.91 -0.06 0.00 -1.94 -0.28 -1.22 119.30 117.88 3gb4 s MET 228 Ca 0.02 -1.02 -0.01 0.00 -1.71 0.00 0.00 55.69 52.97 3gb4 s MET 228 Cb -0.14 -0.99 0.03 0.00 2.01 0.00 0.00 34.83 35.74 3gb4 s MET 228 CO -0.06 0.22 -0.02 -1.17 -0.01 0.00 0.00 175.02 173.99 3gb4 s LEU 229 N -1.79 0.85 0.56 -0.03 2.96 -0.57 -0.96 118.68 119.70 3gb4 s LEU 229 Ca 0.00 -0.11 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 3gb4 s LEU 229 Cb -0.10 -0.45 0.06 0.00 0.50 0.00 0.00 46.19 46.20 3gb4 s LEU 229 CO 0.03 -0.15 0.61 0.54 -1.32 0.00 0.00 176.35 176.06 3gb4 s ASN 230 N 1.62 4.89 -0.17 3.68 2.20 0.97 -0.72 114.94 127.41 3gb4 s ASN 230 Ca -0.00 -1.03 -0.05 0.00 -0.94 0.00 0.00 52.86 50.84 3gb4 s ASN 230 Cb -0.13 0.35 0.06 0.00 -2.00 0.00 0.00 41.25 39.53 3gb4 s ASN 230 CO -0.04 -1.23 0.10 0.12 -2.94 0.00 0.00 177.10 173.12 3gb4 s PHE 231 N -2.71 0.13 -0.20 1.54 5.36 1.00 -2.18 117.98 120.91 3gb4 s PHE 231 Ca 0.49 -0.23 -0.03 0.00 -0.96 0.00 0.00 56.93 56.20 3gb4 s PHE 231 Cb -0.04 -0.65 -0.01 0.00 -0.34 0.00 0.00 43.02 41.99 3gb4 s PHE 231 CO 0.31 -0.51 -0.07 0.42 -1.46 0.00 0.00 175.22 173.91 3gb4 s ILE 232 N 2.16 3.18 0.02 3.12 -1.09 -0.59 -1.14 121.20 126.86 3gb4 s ILE 232 Ca 0.03 -0.56 -0.00 0.00 -2.23 0.00 0.00 60.65 57.88 3gb4 s ILE 232 Cb -0.16 -2.42 -0.02 0.00 -1.58 0.00 0.00 42.46 38.28 3gb4 s ILE 232 CO -0.09 0.45 -0.02 0.00 -1.23 0.00 0.00 174.94 174.05 3gb4 s ALA 233 N 1.30 0.10 -0.07 9.38 0.00 -0.85 -1.34 121.76 130.28 3gb4 s ALA 233 Ca 0.04 -0.54 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 3gb4 s ALA 233 Cb -0.14 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.14 3gb4 s ALA 233 CO -0.03 -0.15 0.21 0.54 0.00 0.00 0.00 175.76 176.33 3gb4 s VAL 234 N -1.39 0.01 0.09 0.00 0.11 -1.23 -1.41 120.40 116.58 3gb4 s VAL 234 Ca -0.15 -0.09 -0.12 0.00 -2.93 0.00 0.00 61.98 58.70 3gb4 s VAL 234 Cb -0.09 -0.33 0.01 0.00 -1.53 0.00 0.00 36.38 34.43 3gb4 s VAL 234 CO -0.01 -0.05 0.27 0.00 -3.33 0.00 0.00 175.10 171.98 3gb4 s ALA 235 N -0.09 -0.51 1.00 1.54 0.00 -0.92 -4.49 121.76 118.30 3gb4 s ALA 235 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3gb4 s ALA 235 Cb -0.02 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.60 3gb4 s ALA 235 CO 0.01 -0.52 0.00 -0.35 0.00 0.00 0.00 175.76 174.89 3gb4 n PRO 236 N 0.05 0.94 0.00 0.00 -0.04 -1.26 -1.98 135.00 132.70 3gb4 n PRO 236 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 3gb4 n PRO 236 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 3gb4 n PRO 236 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3gb4 n GLU 237 N -0.05 0.00 -2.98 0.54 0.28 -0.99 -3.45 120.64 113.99 3gb4 n GLU 237 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.86 3gb4 n GLU 237 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3gb4 n GLU 237 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3gb4 n GLY 238 N -0.12 2.67 3.74 -1.84 0.00 -1.26 -4.63 105.19 103.76 3gb4 n GLY 238 Ca 0.00 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 3gb4 n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gb4 s THR 239 N -2.34 4.88 0.78 2.61 2.01 -1.22 -5.04 115.64 117.31 3gb4 s THR 239 Ca 0.34 1.52 -0.14 0.00 0.31 0.00 0.00 61.69 63.72 3gb4 s THR 239 Cb 0.38 -4.07 0.07 0.00 0.01 0.00 0.00 72.50 68.89 3gb4 s THR 239 CO -0.04 0.32 1.19 -2.16 -0.69 0.00 0.00 174.62 173.24 3gb4 s PRO 240 N 0.29 1.86 0.11 4.92 0.04 -1.26 -4.90 135.00 136.06 3gb4 s PRO 240 Ca 0.38 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.95 3gb4 s PRO 240 Cb -0.19 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 3gb4 s PRO 240 CO 0.20 -2.04 1.61 -0.22 0.04 0.00 0.00 177.00 176.60 3gb4 h LYS 241 N -0.70 0.52 0.00 4.56 3.64 -2.00 -3.37 116.57 119.22 3gb4 h LYS 241 Ca -0.46 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 3gb4 h LYS 241 Cb 1.29 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3gb4 h LYS 241 CO 0.48 0.59 0.00 -0.85 -2.27 0.00 0.00 179.45 177.39 3gb4 n GLU 242 N -4.64 0.00 -1.79 1.90 -0.00 -1.26 -3.90 120.64 110.95 3gb4 n GLU 242 Ca -0.02 0.12 -0.20 0.00 -0.00 0.00 0.00 57.16 57.07 3gb4 n GLU 242 Cb 0.19 -0.85 -0.07 0.00 -0.00 0.00 0.00 31.44 30.71 3gb4 n GLU 242 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3gb4 s GLN 243 N -0.70 1.95 0.00 3.44 -1.52 -1.26 -4.79 119.66 116.77 3gb4 s GLN 243 Ca 0.00 -0.13 0.00 0.00 -1.95 0.00 0.00 55.36 53.28 3gb4 s GLN 243 Cb 0.00 -4.97 0.00 0.00 -0.22 0.00 0.00 33.01 27.82 3gb4 s GLN 243 CO 0.00 -4.23 0.00 -1.13 -0.25 0.00 0.00 175.29 169.68 3gb4 n SER 244 N 16.81 0.00 -4.59 5.90 3.41 -1.25 -4.64 113.62 129.25 3gb4 n SER 244 Ca 0.44 -0.66 -0.36 0.00 -0.26 0.00 0.00 58.87 58.03 3gb4 n SER 244 Cb 0.45 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.30 3gb4 n SER 244 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3gb4 s ILE 245 N -2.93 5.00 0.23 -1.33 1.01 -1.26 -5.06 121.20 116.86 3gb4 s ILE 245 Ca 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.57 3gb4 s ILE 245 Cb 0.00 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.15 3gb4 s ILE 245 CO 0.00 0.35 0.47 -1.38 0.00 0.00 0.00 174.94 174.38 3gb4 s HIS 246 N 1.16 0.24 -0.05 3.97 -3.43 -1.26 -3.52 115.29 112.40 3gb4 s HIS 246 Ca 0.06 -0.60 0.02 0.00 -0.80 0.00 0.00 55.06 53.74 3gb4 s HIS 246 Cb -0.14 0.22 0.01 0.00 -1.43 0.00 0.00 32.58 31.25 3gb4 s HIS 246 CO 0.05 -0.95 -0.09 0.45 -2.00 0.00 0.00 174.74 172.19 3gb4 s SER 247 N -2.98 1.38 -0.37 7.38 0.15 -0.45 -1.93 113.70 116.89 3gb4 s SER 247 Ca 0.18 -0.22 -0.13 0.00 0.70 0.00 0.00 55.95 56.48 3gb4 s SER 247 Cb -0.00 -0.59 0.01 0.00 -1.71 0.00 0.00 66.02 63.72 3gb4 s SER 247 CO 0.05 0.01 0.25 -0.13 1.20 0.00 0.00 173.24 174.62 3gb4 s ARG 248 N 0.64 3.16 -0.19 5.44 0.52 0.83 -1.54 118.95 127.80 3gb4 s ARG 248 Ca -0.11 -0.87 -0.16 0.00 -0.52 0.00 0.00 55.73 54.07 3gb4 s ARG 248 Cb -0.14 -3.84 -0.04 0.00 0.52 0.00 0.00 34.95 31.45 3gb4 s ARG 248 CO 0.02 -0.60 0.39 0.20 0.02 0.00 0.00 175.30 175.33 3gb4 s GLY 249 N 1.67 2.12 -0.15 -3.53 0.00 -0.93 -1.21 107.32 105.28 3gb4 s GLY 249 Ca 0.05 -0.50 -0.22 0.00 0.00 0.00 0.00 44.72 44.04 3gb4 s GLY 249 CO 0.09 0.77 0.67 -1.59 0.00 0.00 0.00 173.10 173.05 3gb4 s THR 250 N 1.19 5.01 -0.32 0.90 2.01 0.27 -0.02 115.64 124.68 3gb4 s THR 250 Ca 0.19 1.32 -0.02 0.00 0.31 0.00 0.00 61.69 63.49 3gb4 s THR 250 Cb -0.15 -4.00 0.12 0.00 0.01 0.00 0.00 72.50 68.49 3gb4 s THR 250 CO 0.08 0.14 0.19 -1.00 -0.69 0.00 0.00 174.62 173.34 3gb4 s HIS 251 N 1.59 0.36 -0.08 4.92 3.76 -0.13 -1.11 115.29 124.60 3gb4 s HIS 251 Ca 0.32 -1.10 0.04 0.00 -0.15 0.00 0.00 55.06 54.18 3gb4 s HIS 251 Cb -0.16 -0.83 -0.00 0.00 1.11 0.00 0.00 32.58 32.69 3gb4 s HIS 251 CO 0.13 -0.85 -0.23 0.42 -0.85 0.00 0.00 174.74 173.36 3gb4 s ILE 252 N 1.69 1.94 -0.02 0.60 1.01 -0.28 -1.12 121.20 125.02 3gb4 s ILE 252 Ca 0.13 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.85 3gb4 s ILE 252 Cb -0.18 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3gb4 s ILE 252 CO -0.20 0.54 -0.12 -0.76 0.00 0.00 0.00 174.94 174.39 3gb4 s LEU 253 N 0.23 2.89 -0.08 2.97 1.43 -0.71 -0.61 118.68 124.79 3gb4 s LEU 253 Ca -0.14 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3gb4 s LEU 253 Cb -0.16 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.45 3gb4 s LEU 253 CO 0.07 0.31 0.00 -0.89 0.23 0.00 0.00 176.35 176.07 3gb4 s THR 254 N -0.86 0.40 0.34 5.49 2.01 -0.28 -4.71 115.64 118.03 3gb4 s THR 254 Ca 0.14 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 3gb4 s THR 254 Cb -0.11 -0.57 -0.12 0.00 0.01 0.00 0.00 72.50 71.71 3gb4 s THR 254 CO 0.04 0.24 1.40 -2.65 -0.69 0.00 0.00 174.62 172.95 3gb4 n PRO 255 N 5.14 2.36 -0.05 4.92 -0.02 -1.26 0.11 135.00 146.19 3gb4 n PRO 255 Ca -0.07 0.83 -0.07 0.00 -2.02 0.00 0.00 63.50 62.16 3gb4 n PRO 255 Cb 0.50 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 3gb4 n PRO 255 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3gb4 n GLU 256 N 0.87 0.37 -3.69 -0.52 2.13 0.05 -0.90 120.64 118.95 3gb4 n GLU 256 Ca 0.05 0.15 -0.18 0.00 0.66 0.00 0.00 57.16 57.83 3gb4 n GLU 256 Cb 0.36 -1.14 -0.05 0.00 0.27 0.00 0.00 31.44 30.88 3gb4 n GLU 256 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3gb4 n THR 257 N -4.14 0.00 0.20 6.31 -2.24 -0.90 0.32 114.28 113.84 3gb4 n THR 257 Ca -0.12 -1.65 0.05 0.00 -2.27 0.00 0.00 64.05 60.06 3gb4 n THR 257 Cb 0.39 0.57 0.51 0.00 -2.10 0.00 0.00 70.33 69.70 3gb4 n THR 257 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gb4 h GLU 258 N 0.00 0.07 -0.13 -0.78 4.57 -1.97 -3.04 114.58 113.29 3gb4 h GLU 258 Ca -0.23 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.93 3gb4 h GLU 258 Cb 0.85 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 3gb4 h GLU 258 CO 0.36 0.18 -0.04 0.00 -1.18 0.00 0.00 179.01 178.34 3gb4 n ALA 259 N -2.51 2.82 -3.08 2.92 0.00 -1.26 -4.27 120.51 115.13 3gb4 n ALA 259 Ca -0.02 -2.60 -0.12 0.00 0.00 0.00 0.00 53.44 50.70 3gb4 n ALA 259 Cb 0.20 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 19.04 3gb4 n ALA 259 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gb4 s SER 260 N -2.51 -0.19 0.19 0.00 1.04 -1.15 -1.78 113.70 109.30 3gb4 s SER 260 Ca 0.38 -0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.56 3gb4 s SER 260 Cb 0.32 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.83 3gb4 s SER 260 CO 0.04 -0.63 0.42 0.00 0.98 0.00 0.00 173.24 174.05 3gb4 s HIS 262 N -3.92 3.47 -0.19 0.00 3.76 0.12 -1.64 115.29 116.89 3gb4 s HIS 262 Ca 0.13 0.42 0.01 0.00 -0.15 0.00 0.00 55.06 55.47 3gb4 s HIS 262 Cb 0.01 -1.89 0.04 0.00 1.11 0.00 0.00 32.58 31.85 3gb4 s HIS 262 CO -0.01 0.66 -0.12 -0.47 -0.85 0.00 0.00 174.74 173.95 3gb4 s TYR 263 N -1.01 2.40 -0.23 1.40 6.04 0.98 -1.13 117.35 125.80 3gb4 s TYR 263 Ca 0.16 -1.52 -0.06 0.00 0.04 0.00 0.00 57.07 55.69 3gb4 s TYR 263 Cb -0.12 -1.65 -0.02 0.00 -1.04 0.00 0.00 41.96 39.13 3gb4 s TYR 263 CO 0.05 -0.73 0.02 -0.06 -1.54 0.00 0.00 175.55 173.29 3gb4 s PHE 264 N 1.41 3.04 0.20 4.97 0.40 0.22 -0.81 117.98 127.40 3gb4 s PHE 264 Ca 0.01 -0.59 0.09 0.00 -0.60 0.00 0.00 56.93 55.84 3gb4 s PHE 264 Cb -0.15 -2.17 -0.05 0.00 0.51 0.00 0.00 43.02 41.16 3gb4 s PHE 264 CO -0.09 -0.40 -0.17 -0.59 0.70 0.00 0.00 175.22 174.67 3gb4 s PHE 265 N 1.47 1.88 -0.05 0.36 -0.12 -0.81 -1.12 117.98 119.59 3gb4 s PHE 265 Ca 0.05 -0.48 -0.30 0.00 -0.05 0.00 0.00 56.93 56.15 3gb4 s PHE 265 Cb -0.15 -0.88 0.11 0.00 -0.63 0.00 0.00 43.02 41.47 3gb4 s PHE 265 CO 0.01 0.42 1.01 0.20 -0.05 0.00 0.00 175.22 176.81 3gb4 s GLY 266 N -3.09 -0.39 -0.08 1.99 0.00 -0.27 -1.39 107.32 104.10 3gb4 s GLY 266 Ca 0.21 1.09 0.00 0.00 0.00 0.00 0.00 44.72 46.02 3gb4 s GLY 266 CO 0.08 0.35 -0.06 -0.45 0.00 0.00 0.00 173.10 173.03 3gb4 s SER 267 N -2.46 1.66 -0.34 1.64 0.15 0.20 -0.56 113.70 113.98 3gb4 s SER 267 Ca 0.07 -0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 3gb4 s SER 267 Cb -0.01 -0.64 0.08 0.00 -1.71 0.00 0.00 66.02 63.74 3gb4 s SER 267 CO -0.06 -0.10 0.08 -0.44 1.20 0.00 0.00 173.24 173.92 3gb4 s SER 268 N 1.41 4.98 0.19 5.45 0.01 -0.35 -1.68 113.70 123.71 3gb4 s SER 268 Ca -0.02 -1.71 0.06 0.00 1.31 0.00 0.00 55.95 55.59 3gb4 s SER 268 Cb -0.13 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 3gb4 s SER 268 CO -0.03 -0.38 0.15 0.00 0.41 0.00 0.00 173.24 173.39 3gb4 s ARG 269 N 1.14 2.90 -0.11 12.44 1.70 -0.38 -0.12 118.95 136.52 3gb4 s ARG 269 Ca 0.02 -0.93 0.14 0.00 -0.47 0.00 0.00 55.73 54.50 3gb4 s ARG 269 Cb -0.21 -2.62 0.45 0.00 -0.57 0.00 0.00 34.95 32.01 3gb4 s ARG 269 CO -0.04 0.46 1.37 0.27 -1.08 0.00 0.00 175.30 176.28 3gb4 n ASN 270 N -0.60 3.57 -4.13 -2.89 6.94 -0.81 -0.83 115.26 116.51 3gb4 n ASN 270 Ca -0.08 -2.65 -0.16 0.00 -0.02 0.00 0.00 54.58 51.68 3gb4 n ASN 270 Cb 0.56 -0.43 -0.12 0.00 -2.36 0.00 0.00 39.78 37.43 3gb4 n ASN 270 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3gb4 s PHE 271 N -2.16 0.97 -1.57 -2.53 -0.12 -1.26 -4.79 117.98 106.51 3gb4 s PHE 271 Ca 0.36 -0.50 -0.02 0.00 -0.05 0.00 0.00 56.93 56.71 3gb4 s PHE 271 Cb 0.26 -0.55 0.01 0.00 -0.63 0.00 0.00 43.02 42.11 3gb4 s PHE 271 CO 0.11 -0.01 0.26 0.41 -0.05 0.00 0.00 175.22 175.95 3gb4 n GLY 272 N 1.27 -0.51 0.41 1.99 0.00 -1.26 -4.86 105.19 102.23 3gb4 n GLY 272 Ca -0.21 0.06 0.23 0.00 0.00 0.00 0.00 46.02 46.09 3gb4 n GLY 272 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gb4 h ILE 273 N -0.59 0.54 -0.46 -0.61 2.04 -1.90 0.93 117.51 117.45 3gb4 h ILE 273 Ca -0.48 -0.13 -0.21 0.00 1.00 0.00 0.00 64.86 65.03 3gb4 h ILE 273 Cb 1.34 0.11 -0.13 0.00 -0.74 0.00 0.00 36.82 37.40 3gb4 h ILE 273 CO 0.55 0.07 0.07 0.47 0.00 0.00 0.00 178.15 179.30 3gb4 n ASP 274 N -4.61 2.99 -4.31 1.72 8.00 -1.26 -4.91 116.55 114.17 3gb4 n ASP 274 Ca 0.25 -3.62 -0.37 0.00 0.71 0.00 0.00 54.79 51.76 3gb4 n ASP 274 Cb 0.87 -0.66 -0.13 0.00 -0.02 0.00 0.00 41.12 41.18 3gb4 n ASP 274 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gb4 s ASP 275 N -2.18 5.18 0.30 -2.24 -1.08 0.32 -4.98 116.67 111.99 3gb4 s ASP 275 Ca 0.47 -0.90 0.08 0.00 -0.52 0.00 0.00 52.55 51.68 3gb4 s ASP 275 Cb 0.41 -1.87 0.46 0.00 -1.46 0.00 0.00 42.92 40.46 3gb4 s ASP 275 CO 0.03 -0.25 1.69 1.55 0.52 0.00 0.00 175.17 178.71 3gb4 h PRO 276 N 8.22 0.14 -0.12 4.34 0.13 -1.92 -3.08 132.00 139.70 3gb4 h PRO 276 Ca -0.28 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 64.70 3gb4 h PRO 276 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3gb4 h PRO 276 CO 0.60 0.59 -0.26 0.93 -0.23 0.00 0.00 178.00 179.63 3gb4 h GLU 277 N 0.11 0.22 -0.08 0.86 3.07 -1.95 -2.50 114.58 114.31 3gb4 h GLU 277 Ca 0.00 -0.07 -0.20 0.00 -0.50 0.00 0.00 59.36 58.60 3gb4 h GLU 277 Cb 0.88 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3gb4 h GLU 277 CO 0.07 0.47 -0.77 1.98 -1.40 0.00 0.00 179.01 179.36 3gb4 h MET 278 N 0.20 0.47 -0.61 2.33 4.05 -1.88 -2.73 114.93 116.77 3gb4 h MET 278 Ca 0.03 -0.40 0.08 0.00 -0.28 0.00 0.00 59.70 59.13 3gb4 h MET 278 Cb 0.57 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 31.40 3gb4 h MET 278 CO 0.04 1.04 0.27 -0.44 0.23 0.00 0.00 176.91 178.04 3gb4 h ASP 279 N 0.31 0.32 -0.51 1.39 3.45 -1.41 -1.67 116.42 118.30 3gb4 h ASP 279 Ca -0.04 0.06 -0.06 0.00 0.43 0.00 0.00 57.03 57.42 3gb4 h ASP 279 Cb 1.36 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 40.12 3gb4 h ASP 279 CO 0.14 0.20 0.09 1.23 -1.57 0.00 0.00 179.24 179.33 3gb4 h GLY 280 N 0.48 0.96 0.99 2.75 0.00 -1.34 -0.93 103.07 105.98 3gb4 h GLY 280 Ca 0.30 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3gb4 h GLY 280 CO -0.26 0.55 0.28 -2.08 0.00 0.00 0.00 176.54 175.03 3gb4 h VAL 281 N 0.84 1.21 -0.21 4.60 2.07 -1.02 0.23 116.25 123.97 3gb4 h VAL 281 Ca 0.18 -0.62 -0.18 0.00 0.82 0.00 0.00 66.70 66.90 3gb4 h VAL 281 Cb 0.37 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3gb4 h VAL 281 CO 0.01 0.25 -0.57 -0.07 0.02 0.00 0.00 177.57 177.21 3gb4 h LEU 282 N 0.82 0.86 -0.97 2.57 3.38 -1.16 -1.31 115.31 119.50 3gb4 h LEU 282 Ca 0.20 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 3gb4 h LEU 282 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3gb4 h LEU 282 CO -0.02 1.29 -0.02 0.03 0.09 0.00 0.00 178.44 179.81 3gb4 h ARG 283 N 0.48 0.73 -0.48 1.13 3.08 -1.02 0.82 114.38 119.13 3gb4 h ARG 283 Ca -0.01 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 3gb4 h ARG 283 Cb 1.19 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 3gb4 h ARG 283 CO 0.12 0.76 0.15 0.77 -1.07 0.00 0.00 179.97 180.70 3gb4 h SER 284 N 0.69 0.69 -0.19 7.04 0.02 -0.44 -0.36 113.55 121.00 3gb4 h SER 284 Ca 0.13 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3gb4 h SER 284 Cb 0.45 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3gb4 h SER 284 CO 0.02 0.72 0.09 -0.25 -1.14 0.00 0.00 176.83 176.26 3gb4 h TRP 285 N 0.64 0.29 -0.87 3.45 2.91 -0.74 -1.05 115.95 120.57 3gb4 h TRP 285 Ca 0.15 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.17 3gb4 h TRP 285 Cb 0.27 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.79 3gb4 h TRP 285 CO 0.01 0.31 0.58 1.96 -1.03 0.00 0.00 178.44 180.28 3gb4 h GLN 286 N 0.18 1.14 -0.40 2.65 4.20 -0.64 0.12 115.11 122.37 3gb4 h GLN 286 Ca 0.07 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 3gb4 h GLN 286 Cb 0.14 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3gb4 h GLN 286 CO -0.01 0.76 -0.36 0.00 -0.67 0.00 0.00 178.83 178.55 3gb4 h ALA 287 N 1.46 0.61 0.00 3.87 0.00 -0.86 -1.48 119.26 122.86 3gb4 h ALA 287 Ca 0.32 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gb4 h ALA 287 Cb -0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3gb4 h ALA 287 CO -0.07 0.68 -0.06 0.37 0.00 0.00 0.00 179.25 180.17 3gb4 h GLN 288 N 0.77 0.00 0.33 0.00 5.75 -0.78 -2.99 115.11 118.19 3gb4 h GLN 288 Ca 0.07 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3gb4 h GLN 288 Cb 0.95 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.50 3gb4 h GLN 288 CO 0.09 0.20 -0.16 0.00 -2.65 0.00 0.00 178.83 176.32 3gb4 h ALA 289 N -0.80 -0.44 0.38 3.38 0.00 -0.93 -0.55 119.26 120.29 3gb4 h ALA 289 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3gb4 h ALA 289 Cb 0.24 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3gb4 h ALA 289 CO -0.00 -0.44 -0.18 -0.07 0.00 0.00 0.00 179.25 178.56 3gb4 h LEU 290 N -1.06 -0.44 -0.09 0.00 4.07 -1.58 -0.46 115.31 115.75 3gb4 h LEU 290 Ca -0.05 -0.13 -0.15 0.00 0.08 0.00 0.00 57.88 57.64 3gb4 h LEU 290 Cb 0.43 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 3gb4 h LEU 290 CO 0.07 -0.07 -0.71 0.58 -1.08 0.00 0.00 178.44 177.23 3gb4 h VAL 291 N -0.85 1.25 0.00 1.22 2.07 -1.37 -3.35 116.25 115.21 3gb4 h VAL 291 Ca -0.05 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.78 3gb4 h VAL 291 Cb 0.54 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 3gb4 h VAL 291 CO 0.09 0.69 -0.49 0.29 0.02 0.00 0.00 177.57 178.17 3gb4 n LYS 292 N -3.32 0.26 0.23 1.57 5.02 -1.13 -4.49 118.16 116.30 3gb4 n LYS 292 Ca 0.01 0.10 -0.15 0.00 -2.02 0.00 0.00 58.31 56.25 3gb4 n LYS 292 Cb 0.80 -0.92 -0.08 0.00 -0.02 0.00 0.00 35.03 34.81 3gb4 n LYS 292 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3gb4 h GLU 293 N -0.49 -0.62 -0.49 1.97 5.08 -0.91 -2.33 114.58 116.79 3gb4 h GLU 293 Ca 0.00 0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3gb4 h GLU 293 Cb 0.49 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3gb4 h GLU 293 CO 0.00 -0.41 0.06 -0.44 -1.00 0.00 0.00 179.01 177.21 3gb4 h ASP 294 N -0.65 0.74 -0.64 1.42 3.32 -1.24 -2.91 116.42 116.47 3gb4 h ASP 294 Ca -0.03 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 56.89 3gb4 h ASP 294 Cb 0.55 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 3gb4 h ASP 294 CO 0.00 0.77 0.40 0.50 -1.72 0.00 0.00 179.24 179.19 3gb4 h LYS 295 N 0.74 0.77 -0.54 3.56 3.64 -1.67 -1.13 116.57 121.95 3gb4 h LYS 295 Ca 0.16 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3gb4 h LYS 295 Cb 0.37 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3gb4 h LYS 295 CO 0.01 0.51 0.34 0.28 -2.27 0.00 0.00 179.45 178.32 3gb4 h VAL 296 N 0.80 1.09 0.27 2.00 2.07 -1.23 -0.60 116.25 120.64 3gb4 h VAL 296 Ca 0.25 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3gb4 h VAL 296 Cb -0.01 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3gb4 h VAL 296 CO -0.09 0.12 -0.13 0.58 0.02 0.00 0.00 177.57 178.08 3gb4 h VAL 297 N 0.68 0.77 -0.26 2.57 2.07 -1.32 -2.61 116.25 118.15 3gb4 h VAL 297 Ca 0.21 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 3gb4 h VAL 297 Cb -0.02 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3gb4 h VAL 297 CO -0.08 0.12 -0.19 -0.37 0.02 0.00 0.00 177.57 177.07 3gb4 h VAL 298 N -0.67 1.25 -0.11 2.57 -1.51 -1.18 -1.93 116.25 114.67 3gb4 h VAL 298 Ca -0.04 -1.14 -0.12 0.00 -1.23 0.00 0.00 66.70 64.17 3gb4 h VAL 298 Cb 0.47 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 3gb4 h VAL 298 CO 0.06 0.37 -0.45 -0.33 -1.23 0.00 0.00 177.57 175.98 3gb4 h GLU 299 N 0.42 0.26 -0.31 5.19 5.08 -1.17 -0.98 114.58 123.08 3gb4 h GLU 299 Ca 0.07 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 3gb4 h GLU 299 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3gb4 h GLU 299 CO 0.04 0.67 -0.29 0.00 -1.00 0.00 0.00 179.01 178.43 3gb4 h ALA 300 N 1.32 0.91 -0.47 3.43 0.00 -1.06 -2.42 119.26 120.96 3gb4 h ALA 300 Ca 0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 3gb4 h ALA 300 Cb 0.89 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3gb4 h ALA 300 CO 0.07 0.62 -0.21 0.82 0.00 0.00 0.00 179.25 180.55 3gb4 h ILE 301 N 0.56 1.27 -0.80 0.00 2.04 -0.95 -2.80 117.51 116.83 3gb4 h ILE 301 Ca 0.07 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.57 3gb4 h ILE 301 Cb 0.78 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 3gb4 h ILE 301 CO 0.06 0.47 0.53 -0.08 0.00 0.00 0.00 178.15 179.13 3gb4 h GLU 302 N 0.83 1.04 0.00 2.37 4.57 -1.00 -0.16 114.58 122.23 3gb4 h GLU 302 Ca 0.11 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3gb4 h GLU 302 Cb 0.79 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3gb4 h GLU 302 CO 0.07 0.69 0.00 0.00 -1.18 0.00 0.00 179.01 178.58 3gb4 h ARG 303 N 1.07 0.00 -0.06 1.92 3.08 -1.17 -2.45 114.38 116.78 3gb4 h ARG 303 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3gb4 h ARG 303 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3gb4 h ARG 303 CO -0.07 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.37 3gb4 n ARG 304 N -2.44 2.33 -0.15 0.04 1.74 -0.09 -4.51 116.66 113.58 3gb4 n ARG 304 Ca 0.01 -1.93 -0.08 0.00 -0.77 0.00 0.00 57.85 55.08 3gb4 n ARG 304 Cb 0.19 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 3gb4 n ARG 304 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3gb4 h ARG 305 N 4.63 0.61 -0.65 5.56 2.43 -1.23 -2.18 114.38 123.55 3gb4 h ARG 305 Ca 0.00 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.19 3gb4 h ARG 305 Cb 0.99 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.35 3gb4 h ARG 305 CO 0.00 0.45 0.33 0.00 -1.51 0.00 0.00 179.97 179.24 3gb4 h ALA 306 N 1.13 0.87 -0.24 2.80 0.00 -1.79 -0.11 119.26 121.91 3gb4 h ALA 306 Ca 0.16 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3gb4 h ALA 306 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3gb4 h ALA 306 CO -0.03 -0.04 -0.01 -0.92 0.00 0.00 0.00 179.25 178.25 3gb4 h TYR 307 N 0.59 0.48 -0.43 0.00 3.20 -1.82 -0.48 116.97 118.52 3gb4 h TYR 307 Ca 0.31 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 3gb4 h TYR 307 Cb 0.26 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3gb4 h TYR 307 CO -0.10 0.62 0.04 -0.39 -1.64 0.00 0.00 178.16 176.68 3gb4 h VAL 308 N 0.20 1.22 -0.04 1.81 -1.51 -0.98 -2.25 116.25 114.70 3gb4 h VAL 308 Ca 0.07 -0.84 -0.17 0.00 -1.23 0.00 0.00 66.70 64.52 3gb4 h VAL 308 Cb 0.44 0.85 0.01 0.00 -2.13 0.00 0.00 31.29 30.46 3gb4 h VAL 308 CO 0.01 0.30 -0.65 -0.33 -1.23 0.00 0.00 177.57 175.67 3gb4 h GLU 309 N 0.64 0.51 -0.94 5.19 5.08 -0.96 -2.85 114.58 121.26 3gb4 h GLU 309 Ca 0.14 -0.50 0.10 0.00 -1.00 0.00 0.00 59.36 58.10 3gb4 h GLU 309 Cb 0.35 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 3gb4 h GLU 309 CO 0.01 1.13 0.60 0.00 -1.00 0.00 0.00 179.01 179.75 3gb4 h ALA 310 N 0.39 1.58 -1.18 3.43 0.00 -0.96 -3.40 119.26 119.12 3gb4 h ALA 310 Ca -0.07 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.38 3gb4 h ALA 310 Cb 1.33 -0.22 0.04 0.00 0.00 0.00 0.00 17.79 18.94 3gb4 h ALA 310 CO 0.13 0.22 -0.08 -0.80 0.00 0.00 0.00 179.25 178.72 3gb4 s ASN 311 N -5.85 5.08 -0.71 0.00 0.01 -0.86 -5.01 114.94 107.60 3gb4 s ASN 311 Ca -0.11 -0.55 -0.01 0.00 -0.71 0.00 0.00 52.86 51.48 3gb4 s ASN 311 Cb 0.21 -0.12 0.41 0.00 0.41 0.00 0.00 41.25 42.16 3gb4 s ASN 311 CO 0.80 -1.30 1.96 0.61 -1.51 0.00 0.00 177.10 177.66 3gb4 n GLY 312 N -2.30 5.77 3.69 0.66 0.00 -1.26 -4.78 105.19 106.98 3gb4 n GLY 312 Ca 0.13 -2.41 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 3gb4 n GLY 312 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gb4 s ILE 313 N -4.94 4.28 0.10 -0.61 1.01 -1.08 -5.04 121.20 114.92 3gb4 s ILE 313 Ca 0.59 1.61 0.09 0.00 0.00 0.00 0.00 60.65 62.94 3gb4 s ILE 313 Cb 0.47 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3gb4 s ILE 313 CO -0.17 0.03 -0.20 -0.13 0.00 0.00 0.00 174.94 174.47 3gb4 s ARG 314 N 1.91 1.77 0.46 2.79 0.52 -1.26 -4.80 118.95 120.35 3gb4 s ARG 314 Ca 0.56 -1.17 -0.23 0.00 -0.52 0.00 0.00 55.73 54.37 3gb4 s ARG 314 Cb -0.25 -2.09 -0.07 0.00 0.52 0.00 0.00 34.95 33.06 3gb4 s ARG 314 CO 0.23 0.49 1.14 -1.25 0.02 0.00 0.00 175.30 175.93 3gb4 s PRO 315 N -1.99 3.77 -0.38 3.54 0.04 -1.26 -5.01 135.00 133.71 3gb4 s PRO 315 Ca 0.17 1.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.79 3gb4 s PRO 315 Cb -0.10 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.08 3gb4 s PRO 315 CO 0.08 -0.52 0.25 0.00 0.04 0.00 0.00 177.00 176.85 3gb4 s ALA 316 N -1.59 3.38 0.41 8.56 0.00 -1.26 -5.07 121.76 126.18 3gb4 s ALA 316 Ca 0.64 -1.67 -0.23 0.00 0.00 0.00 0.00 51.96 50.70 3gb4 s ALA 316 Cb -0.27 -2.71 -0.10 0.00 0.00 0.00 0.00 23.12 20.04 3gb4 s ALA 316 CO 0.33 -1.35 1.00 -1.64 0.00 0.00 0.00 175.76 174.10 3gb4 s MET 317 N 1.63 4.21 0.54 0.00 -1.94 -1.26 -5.08 119.30 117.40 3gb4 s MET 317 Ca 0.04 1.35 0.05 0.00 -1.71 0.00 0.00 55.69 55.41 3gb4 s MET 317 Cb -0.19 -2.43 0.03 0.00 2.01 0.00 0.00 34.83 34.26 3gb4 s MET 317 CO 0.08 -0.07 0.34 -0.51 -0.01 0.00 0.00 175.02 174.85 3gb4 s LEU 318 N -2.79 2.61 0.59 -0.03 1.43 -1.26 -5.02 118.68 114.21 3gb4 s LEU 318 Ca 0.59 -1.33 0.36 0.00 -1.03 0.00 0.00 54.13 52.72 3gb4 s LEU 318 Cb -0.17 -1.10 1.86 0.00 0.03 0.00 0.00 46.19 46.81 3gb4 s LEU 318 CO 0.22 -1.08 2.19 0.77 0.23 0.00 0.00 176.35 178.68 3gb4 h SER 319 N 0.83 0.00 0.01 2.29 4.64 -2.06 -2.59 113.55 116.67 3gb4 h SER 319 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3gb4 h SER 319 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3gb4 h SER 319 CO 0.60 0.03 -0.01 0.00 -0.87 0.00 0.00 176.83 176.58 3gb4 n ASP 321 N -0.07 1.64 -0.01 0.00 8.00 -0.98 -4.58 116.55 120.55 3gb4 n ASP 321 Ca 0.19 -1.55 -0.13 0.00 0.71 0.00 0.00 54.79 54.02 3gb4 n ASP 321 Cb 0.31 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.35 3gb4 n ASP 321 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3gb4 h GLU 322 N 2.57 -0.48 -0.23 -1.24 4.81 -1.79 0.43 114.58 118.64 3gb4 h GLU 322 Ca 0.00 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3gb4 h GLU 322 Cb 0.54 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 3gb4 h GLU 322 CO 0.00 -0.32 -0.01 0.00 -0.73 0.00 0.00 179.01 177.95 3gb4 h ALA 323 N 0.06 0.20 -0.56 2.92 0.00 -1.87 -1.40 119.26 118.61 3gb4 h ALA 323 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gb4 h ALA 323 Cb 0.64 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3gb4 h ALA 323 CO -0.41 -0.43 0.36 0.00 0.00 0.00 0.00 179.25 178.76 3gb4 h ALA 324 N 1.20 0.71 -0.89 0.00 0.00 -1.70 -1.39 119.26 117.19 3gb4 h ALA 324 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3gb4 h ALA 324 Cb 0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3gb4 h ALA 324 CO -0.19 0.16 0.50 0.28 0.00 0.00 0.00 179.25 180.00 3gb4 h VAL 325 N 0.75 1.26 -0.30 0.00 2.07 -0.61 0.49 116.25 119.91 3gb4 h VAL 325 Ca 0.20 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 3gb4 h VAL 325 Cb -0.06 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 3gb4 h VAL 325 CO -0.04 0.29 -0.04 0.03 0.02 0.00 0.00 177.57 177.83 3gb4 h ARG 326 N 1.25 0.56 -0.70 1.57 3.08 -0.82 -1.05 114.38 118.26 3gb4 h ARG 326 Ca 0.32 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3gb4 h ARG 326 Cb 0.01 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3gb4 h ARG 326 CO -0.05 0.73 0.32 0.28 -1.07 0.00 0.00 179.97 180.17 3gb4 h VAL 327 N 0.34 1.24 -0.84 2.04 2.07 -1.04 -1.01 116.25 119.05 3gb4 h VAL 327 Ca 0.08 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.95 3gb4 h VAL 327 Cb 0.50 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3gb4 h VAL 327 CO 0.02 0.28 0.55 -1.28 0.02 0.00 0.00 177.57 177.17 3gb4 h SER 328 N 0.98 0.89 0.06 0.57 0.87 -0.69 -1.04 113.55 115.19 3gb4 h SER 328 Ca 0.24 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.62 3gb4 h SER 328 Cb 0.15 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 3gb4 h SER 328 CO -0.03 0.61 -0.61 0.03 -0.53 0.00 0.00 176.83 176.30 3gb4 h ARG 329 N 1.03 0.55 -0.51 2.24 3.08 -0.51 -2.45 114.38 117.80 3gb4 h ARG 329 Ca 0.33 -0.38 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3gb4 h ARG 329 Cb 0.05 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3gb4 h ARG 329 CO -0.10 0.99 0.01 0.93 -1.07 0.00 0.00 179.97 180.73 3gb4 h GLU 330 N 0.41 0.90 -0.72 0.04 4.39 -0.52 -1.84 114.58 117.23 3gb4 h GLU 330 Ca -0.01 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 59.37 3gb4 h GLU 330 Cb 1.17 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.71 3gb4 h GLU 330 CO 0.11 0.92 0.30 0.82 -1.16 0.00 0.00 179.01 180.01 3gb4 h ILE 331 N 0.77 1.25 -0.57 3.13 2.04 -1.18 -1.98 117.51 120.97 3gb4 h ILE 331 Ca 0.15 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.26 3gb4 h ILE 331 Cb 0.51 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3gb4 h ILE 331 CO 0.02 0.31 0.37 -0.08 0.00 0.00 0.00 178.15 178.78 3gb4 h GLU 332 N 1.03 0.74 -0.91 2.37 4.81 -1.20 -1.47 114.58 119.95 3gb4 h GLU 332 Ca 0.24 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3gb4 h GLU 332 Cb 0.19 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3gb4 h GLU 332 CO -0.02 0.49 0.55 0.87 -0.73 0.00 0.00 179.01 180.17 3gb4 h LYS 333 N 0.76 1.23 -0.32 1.92 1.57 -0.96 -1.53 116.57 119.24 3gb4 h LYS 333 Ca 0.21 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 3gb4 h LYS 333 Cb -0.08 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 31.96 3gb4 h LYS 333 CO -0.05 0.86 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.49 3gb4 h LEU 334 N 1.25 0.55 -0.58 2.94 3.38 -0.74 0.10 115.31 122.22 3gb4 h LEU 334 Ca 0.33 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3gb4 h LEU 334 Cb -0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3gb4 h LEU 334 CO -0.06 0.71 -0.14 -0.33 0.09 0.00 0.00 178.44 178.70 3gb4 h GLU 335 N 0.52 0.99 -0.11 1.13 5.08 -0.56 -2.40 114.58 119.24 3gb4 h GLU 335 Ca 0.09 -0.38 -0.09 0.00 -1.00 0.00 0.00 59.36 57.98 3gb4 h GLU 335 Cb 0.53 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3gb4 h GLU 335 CO 0.03 1.05 -0.30 1.96 -1.00 0.00 0.00 179.01 180.75 3gb4 h GLN 336 N 0.87 0.39 -0.26 2.33 4.20 -0.92 -1.80 115.11 119.93 3gb4 h GLN 336 Ca 0.13 -0.28 0.03 0.00 0.06 0.00 0.00 58.65 58.59 3gb4 h GLN 336 Cb 0.70 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 3gb4 h GLN 336 CO 0.05 0.90 0.18 -0.07 -0.67 0.00 0.00 178.83 179.22 3gb4 h LEU 337 N -0.04 0.18 0.22 1.46 3.38 -0.79 -0.88 115.31 118.83 3gb4 h LEU 337 Ca -0.01 -0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 3gb4 h LEU 337 Cb 0.92 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.66 3gb4 h LEU 337 CO 0.07 0.12 -1.47 -0.08 0.09 0.00 0.00 178.44 177.17 3gb4 h GLU 338 N 0.21 0.47 0.00 1.13 4.81 -1.38 -3.24 114.58 116.57 3gb4 h GLU 338 Ca 0.11 -0.80 -0.02 0.00 -0.13 0.00 0.00 59.36 58.52 3gb4 h GLU 338 Cb 0.19 0.30 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 3gb4 h GLU 338 CO -0.02 1.38 -0.12 0.00 -0.73 0.00 0.00 179.01 179.52 3gb4 h ALA 339 N 0.25 1.10 -0.05 2.92 0.00 -0.76 -2.70 119.26 120.03 3gb4 h ALA 339 Ca -0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3gb4 h ALA 339 Cb 2.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.89 3gb4 h ALA 339 CO 0.25 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3gb4 n ALA 340 N -2.20 2.52 -2.72 0.00 0.00 -0.39 -4.29 120.51 113.43 3gb4 n ALA 340 Ca -0.01 -0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 3gb4 n ALA 340 Cb 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3gb4 n ALA 340 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3gb4 n ARG 341 N -0.26 2.04 0.00 0.00 1.85 -1.02 -5.07 116.66 114.20 3gb4 n ARG 341 Ca 0.02 -3.83 0.00 0.00 -1.00 0.00 0.00 57.85 53.03 3gb4 n ARG 341 Cb 0.11 -1.73 0.00 0.00 -1.05 0.00 0.00 32.46 29.79 3gb4 n ARG 341 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09