#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 4.68 0.19 0.00 -4.23 -1.26 -5.05 115.64 109.97 3gb4 s THR 3 Ca 0.00 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 58.82 3gb4 s THR 3 Cb 0.00 -4.03 -0.04 0.00 1.34 0.00 0.00 72.50 69.77 3gb4 s THR 3 CO 0.00 -0.84 -0.16 -0.36 -0.54 0.00 0.00 174.62 172.73 3gb4 s PHE 4 N 1.31 1.76 -0.73 3.99 0.40 -1.26 -5.08 117.98 118.37 3gb4 s PHE 4 Ca 0.06 -0.52 -0.16 0.00 -0.60 0.00 0.00 56.93 55.70 3gb4 s PHE 4 Cb -0.26 -0.84 0.16 0.00 0.51 0.00 0.00 43.02 42.59 3gb4 s PHE 4 CO -0.00 0.36 0.75 0.08 0.70 0.00 0.00 175.22 177.11 3gb4 s VAL 5 N -2.61 5.22 0.19 -0.44 1.01 -1.26 -4.89 120.40 117.62 3gb4 s VAL 5 Ca 0.20 -1.82 0.15 0.00 0.00 0.00 0.00 61.98 60.51 3gb4 s VAL 5 Cb -0.03 -4.49 0.05 0.00 0.00 0.00 0.00 36.38 31.91 3gb4 s VAL 5 CO 0.07 -1.09 1.65 0.03 0.00 0.00 0.00 175.10 175.76 3gb4 h ARG 6 N 8.47 0.00 -4.33 2.72 3.08 -1.95 -3.38 114.38 119.00 3gb4 h ARG 6 Ca -0.06 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.26 3gb4 h ARG 6 Cb 1.06 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.97 3gb4 h ARG 6 CO 0.94 0.50 1.96 0.09 -1.07 0.00 0.00 179.97 182.39 3gb4 n ASN 7 N -3.61 4.96 -3.54 7.04 3.02 -1.26 -1.31 115.26 120.56 3gb4 n ASN 7 Ca -0.00 -3.00 -0.07 0.00 -0.03 0.00 0.00 54.58 51.47 3gb4 n ASN 7 Cb 0.58 -1.57 -0.02 0.00 -0.61 0.00 0.00 39.78 38.16 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 1.68 -1.85 0.03 5.41 0.00 -1.26 -5.03 121.76 120.74 3gb4 s ALA 8 Ca 0.44 1.01 -0.21 0.00 0.00 0.00 0.00 51.96 53.20 3gb4 s ALA 8 Cb 0.05 0.36 -0.06 0.00 0.00 0.00 0.00 23.12 23.47 3gb4 s ALA 8 CO 0.00 -0.72 0.61 -1.58 0.00 0.00 0.00 175.76 174.07 3gb4 s TRP 9 N -3.02 3.74 0.08 0.00 0.52 -1.26 -4.21 118.94 114.79 3gb4 s TRP 9 Ca 0.06 1.27 0.05 0.00 0.02 0.00 0.00 56.10 57.50 3gb4 s TRP 9 Cb -0.01 -2.59 -0.03 0.00 -1.15 0.00 0.00 33.47 29.69 3gb4 s TRP 9 CO -0.07 0.44 -0.13 0.71 0.02 0.00 0.00 176.95 177.92 3gb4 s TYR 10 N -0.56 1.18 -0.04 -1.98 1.51 -0.33 -4.92 117.35 112.20 3gb4 s TYR 10 Ca 0.31 -0.51 -0.27 0.00 -1.01 0.00 0.00 57.07 55.59 3gb4 s TYR 10 Cb -0.19 -0.65 -0.03 0.00 -0.11 0.00 0.00 41.96 40.98 3gb4 s TYR 10 CO 0.19 0.05 0.85 0.08 -1.11 0.00 0.00 175.55 175.61 3gb4 s VAL 11 N -1.64 4.94 -0.05 0.71 1.01 -1.26 0.05 120.40 124.16 3gb4 s VAL 11 Ca 0.01 1.77 0.16 0.00 0.00 0.00 0.00 61.98 63.91 3gb4 s VAL 11 Cb -0.08 -4.19 -0.24 0.00 0.00 0.00 0.00 36.38 31.87 3gb4 s VAL 11 CO 0.02 0.19 0.29 0.00 0.00 0.00 0.00 175.10 175.59 3gb4 n ALA 12 N 3.96 2.38 -3.65 5.51 0.00 0.10 -4.76 120.51 124.05 3gb4 n ALA 12 Ca 0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 3gb4 n ALA 12 Cb 0.51 -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 -2.95 -1.97 0.00 0.00 0.00 -1.24 -5.05 121.76 110.55 3gb4 s ALA 13 Ca -0.06 0.64 -0.06 0.00 0.00 0.00 0.00 51.96 52.47 3gb4 s ALA 13 Cb 0.09 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 3gb4 s ALA 13 CO 0.66 -0.96 0.26 -0.51 0.00 0.00 0.00 175.76 175.21 3gb4 s LEU 14 N -2.82 4.37 0.28 0.00 1.43 -1.26 -1.68 118.68 119.00 3gb4 s LEU 14 Ca 0.12 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.77 3gb4 s LEU 14 Cb 0.01 -2.64 0.65 0.00 0.03 0.00 0.00 46.19 44.24 3gb4 s LEU 14 CO -0.02 0.26 1.68 -0.65 0.23 0.00 0.00 176.35 177.85 3gb4 h PRO 15 N 4.01 0.32 0.00 1.29 0.11 -1.90 -0.27 132.00 135.56 3gb4 h PRO 15 Ca -0.50 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3gb4 h PRO 15 Cb 1.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3gb4 h PRO 15 CO 0.66 0.21 -0.00 1.05 -0.21 0.00 0.00 178.00 179.71 3gb4 h GLU 16 N 0.33 0.00 0.00 1.05 9.09 -1.94 -1.72 114.58 121.39 3gb4 h GLU 16 Ca 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.92 3gb4 h GLU 16 Cb 0.97 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.07 3gb4 h GLU 16 CO -0.55 0.00 -0.05 0.93 0.05 0.00 0.00 179.01 179.39 3gb4 h GLU 17 N 0.00 0.00 -6.08 1.06 5.08 -1.44 -3.46 114.58 109.75 3gb4 h GLU 17 Ca -0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 3gb4 h GLU 17 Cb 0.05 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3gb4 h GLU 17 CO 0.00 0.05 -0.33 -0.51 -1.00 0.00 0.00 179.01 177.22 3gb4 s LEU 18 N -6.25 4.31 0.00 1.33 1.43 -0.65 -4.92 118.68 113.94 3gb4 s LEU 18 Ca 0.06 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 3gb4 s LEU 18 Cb 0.06 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.21 3gb4 s LEU 18 CO 0.66 0.13 0.00 -1.54 0.23 0.00 0.00 176.35 175.83 3gb4 n SER 19 N 0.50 0.00 0.13 2.29 3.41 -1.26 -4.84 113.62 113.85 3gb4 n SER 19 Ca -0.06 -0.45 0.12 0.00 -0.26 0.00 0.00 58.87 58.23 3gb4 n SER 19 Cb 0.52 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.95 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 0.22 -3.15 4.33 1.02 -1.26 -1.00 120.64 120.81 3gb4 n GLU 20 Ca 0.00 0.39 -0.42 0.00 -0.02 0.00 0.00 57.16 57.11 3gb4 n GLU 20 Cb 0.00 -1.88 -0.07 0.00 -0.02 0.00 0.00 31.44 29.47 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 -3.29 3.52 0.41 3.49 2.20 -1.26 -4.42 119.74 120.39 3gb4 s LYS 21 Ca 0.05 -0.16 -0.25 0.00 -0.36 0.00 0.00 55.97 55.26 3gb4 s LYS 21 Cb 0.10 -3.86 -0.11 0.00 -1.51 0.00 0.00 37.83 32.45 3gb4 s LYS 21 CO 0.44 -0.81 1.02 -2.30 -0.36 0.00 0.00 175.35 173.33 3gb4 n PRO 22 N 6.03 1.37 -4.23 4.03 -0.02 -1.26 -4.88 135.00 136.04 3gb4 n PRO 22 Ca -0.02 0.49 -0.34 0.00 -2.02 0.00 0.00 63.50 61.60 3gb4 n PRO 22 Cb 0.48 -2.03 -0.13 0.00 -0.02 0.00 0.00 33.50 31.80 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 -0.45 3.05 -0.25 2.45 2.96 0.12 -4.91 118.68 121.65 3gb4 s LEU 23 Ca 0.63 -0.26 -0.15 0.00 -0.22 0.00 0.00 54.13 54.13 3gb4 s LEU 23 Cb -0.57 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 3gb4 s LEU 23 CO 0.57 0.08 0.35 -0.83 -1.32 0.00 0.00 176.35 175.21 3gb4 s GLY 24 N 0.88 1.94 -0.08 7.98 0.00 -1.26 -0.58 107.32 116.20 3gb4 s GLY 24 Ca -0.01 -0.77 -0.10 0.00 0.00 0.00 0.00 44.72 43.85 3gb4 s GLY 24 CO 0.01 0.88 0.27 -1.60 0.00 0.00 0.00 173.10 172.66 3gb4 s ARG 25 N 1.79 0.38 -0.20 2.90 3.52 -0.64 -4.98 118.95 121.72 3gb4 s ARG 25 Ca 0.15 0.24 -0.10 0.00 -0.13 0.00 0.00 55.73 55.88 3gb4 s ARG 25 Cb -0.15 0.18 -0.05 0.00 -1.56 0.00 0.00 34.95 33.36 3gb4 s ARG 25 CO 0.09 -0.06 0.14 0.99 -0.81 0.00 0.00 175.30 175.65 3gb4 s THR 26 N -0.18 5.40 -0.12 4.11 2.01 -1.26 0.02 115.64 125.62 3gb4 s THR 26 Ca -0.03 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.18 3gb4 s THR 26 Cb -0.03 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 69.02 3gb4 s THR 26 CO 0.01 0.43 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.62 3gb4 s ILE 27 N 0.43 1.32 -1.37 1.82 -1.09 0.26 -4.54 121.20 118.04 3gb4 s ILE 27 Ca 0.08 -0.50 -0.01 0.00 -2.23 0.00 0.00 60.65 57.99 3gb4 s ILE 27 Cb -0.11 -1.26 0.01 0.00 -1.58 0.00 0.00 42.46 39.51 3gb4 s ILE 27 CO -0.01 0.41 0.59 0.18 -1.23 0.00 0.00 174.94 174.88 3gb4 n LEU 28 N 4.63 -2.65 -0.59 2.97 4.77 -0.53 -0.60 117.00 125.01 3gb4 n LEU 28 Ca -0.16 -0.91 -0.08 0.00 -0.03 0.00 0.00 56.01 54.83 3gb4 n LEU 28 Cb 0.50 -2.45 -0.03 0.00 -2.33 0.00 0.00 43.42 39.11 3gb4 n LEU 28 CO 0.21 0.42 -0.07 0.47 -1.33 0.00 0.00 177.39 177.08 3gb4 n ASP 29 N -3.01 -5.43 -4.27 -1.43 8.00 -0.19 -4.97 116.55 105.26 3gb4 n ASP 29 Ca -0.28 0.19 -0.35 0.00 0.71 0.00 0.00 54.79 55.06 3gb4 n ASP 29 Cb 0.67 -3.61 -0.14 0.00 -0.02 0.00 0.00 41.12 38.02 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 -1.79 3.18 -0.09 -3.53 2.01 0.24 -5.09 115.64 110.57 3gb4 s THR 30 Ca 0.00 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 3gb4 s THR 30 Cb 0.00 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 3gb4 s THR 30 CO 0.00 0.34 1.15 -2.16 -0.69 0.00 0.00 174.62 173.25 3gb4 s PRO 31 N 1.42 4.35 0.16 4.92 0.04 -1.26 -0.58 135.00 144.06 3gb4 s PRO 31 Ca 0.04 1.58 0.10 0.00 0.04 0.00 0.00 61.00 62.75 3gb4 s PRO 31 Cb -0.15 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 3gb4 s PRO 31 CO -0.04 -0.45 -0.17 -0.51 0.04 0.00 0.00 177.00 175.87 3gb4 s LEU 32 N 2.35 2.71 -0.28 -3.56 1.43 0.10 -0.50 118.68 120.93 3gb4 s LEU 32 Ca 0.53 -0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3gb4 s LEU 32 Cb -0.22 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.56 3gb4 s LEU 32 CO 0.19 0.14 -0.02 0.00 0.23 0.00 0.00 176.35 176.89 3gb4 s ALA 33 N -1.47 2.77 -0.14 4.21 0.00 0.46 -1.61 121.76 125.98 3gb4 s ALA 33 Ca 0.21 -1.65 -0.02 0.00 0.00 0.00 0.00 51.96 50.50 3gb4 s ALA 33 Cb -0.09 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 3gb4 s ALA 33 CO 0.12 -1.10 -0.08 -0.51 0.00 0.00 0.00 175.76 174.18 3gb4 s LEU 34 N 1.28 3.00 0.17 0.00 1.43 0.26 -1.72 118.68 123.09 3gb4 s LEU 34 Ca -0.03 -0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 3gb4 s LEU 34 Cb -0.19 -1.70 0.07 0.00 0.03 0.00 0.00 46.19 44.40 3gb4 s LEU 34 CO -0.02 0.18 0.60 -0.72 0.23 0.00 0.00 176.35 176.62 3gb4 s TYR 35 N 0.27 -0.51 -0.22 0.29 -0.85 -0.96 0.16 117.35 115.53 3gb4 s TYR 35 Ca -0.06 0.28 -0.08 0.00 -0.52 0.00 0.00 57.07 56.68 3gb4 s TYR 35 Cb -0.15 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 3gb4 s TYR 35 CO 0.04 -0.87 0.09 0.50 -1.52 0.00 0.00 175.55 173.79 3gb4 s ARG 36 N -3.76 3.91 0.87 -3.49 3.52 -0.17 -0.48 118.95 119.35 3gb4 s ARG 36 Ca 0.02 -0.36 -0.12 0.00 -0.13 0.00 0.00 55.73 55.14 3gb4 s ARG 36 Cb -0.01 -3.34 0.11 0.00 -1.56 0.00 0.00 34.95 30.15 3gb4 s ARG 36 CO -0.12 0.08 1.11 -0.65 -0.81 0.00 0.00 175.30 174.92 3gb4 s GLN 37 N 0.93 1.49 0.49 5.12 -0.21 -0.02 -3.99 119.66 123.47 3gb4 s GLN 37 Ca 0.05 0.48 0.20 0.00 0.02 0.00 0.00 55.36 56.11 3gb4 s GLN 37 Cb -0.14 -1.86 1.25 0.00 1.00 0.00 0.00 33.01 33.26 3gb4 s GLN 37 CO 0.03 -2.00 2.02 -1.00 -2.12 0.00 0.00 175.29 172.21 3gb4 h PRO 38 N -1.36 0.14 0.00 2.91 0.13 -1.88 0.14 132.00 132.07 3gb4 h PRO 38 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3gb4 h PRO 38 Cb 1.30 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3gb4 h PRO 38 CO 0.60 0.09 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 3gb4 n ASP 39 N -4.44 0.00 0.00 1.44 3.85 -1.26 -4.87 116.55 111.27 3gb4 n ASP 39 Ca 0.08 -1.19 0.00 0.00 -0.71 0.00 0.00 54.79 52.97 3gb4 n ASP 39 Cb 0.44 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 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 0.78 1.14 3.74 6.12 0.00 0.48 -5.05 105.19 112.40 3gb4 n GLY 40 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.81 4.76 0.26 1.61 1.01 -1.26 -4.70 120.40 119.28 3gb4 s VAL 41 Ca 0.00 1.68 -0.29 0.00 0.00 0.00 0.00 61.98 63.37 3gb4 s VAL 41 Cb 0.00 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 3gb4 s VAL 41 CO 0.00 0.33 1.01 -0.69 0.00 0.00 0.00 175.10 175.75 3gb4 s VAL 42 N 0.14 3.83 0.12 2.92 1.01 -1.26 -0.84 120.40 126.31 3gb4 s VAL 42 Ca 0.40 1.82 0.09 0.00 0.00 0.00 0.00 61.98 64.29 3gb4 s VAL 42 Cb -0.20 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3gb4 s VAL 42 CO 0.23 0.41 -0.22 0.00 0.00 0.00 0.00 175.10 175.53 3gb4 s ALA 43 N -1.20 1.95 -0.22 5.51 0.00 0.37 -4.93 121.76 123.24 3gb4 s ALA 43 Ca 0.43 -1.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 3gb4 s ALA 43 Cb -0.28 -0.27 0.07 0.00 0.00 0.00 0.00 23.12 22.64 3gb4 s ALA 43 CO 0.35 0.39 0.08 0.00 0.00 0.00 0.00 175.76 176.58 3gb4 s ALA 44 N -1.23 0.81 0.18 0.00 0.00 -1.26 -2.27 121.76 117.99 3gb4 s ALA 44 Ca 0.09 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.38 3gb4 s ALA 44 Cb -0.10 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 3gb4 s ALA 44 CO 0.05 -1.32 -0.07 -0.51 0.00 0.00 0.00 175.76 173.92 3gb4 s LEU 45 N 1.96 3.07 0.12 0.00 1.43 -0.70 -0.85 118.68 123.71 3gb4 s LEU 45 Ca 0.03 -0.53 -0.31 0.00 -1.03 0.00 0.00 54.13 52.29 3gb4 s LEU 45 Cb -0.17 -1.74 -0.09 0.00 0.03 0.00 0.00 46.19 44.22 3gb4 s LEU 45 CO -0.15 0.10 1.56 -0.22 0.23 0.00 0.00 176.35 177.87 3gb4 s LEU 46 N -2.89 4.37 -0.27 1.79 2.96 -0.44 -0.40 118.68 123.80 3gb4 s LEU 46 Ca 0.26 2.50 -0.06 0.00 -0.22 0.00 0.00 54.13 56.61 3gb4 s LEU 46 Cb -0.09 -3.58 -0.22 0.00 0.50 0.00 0.00 46.19 42.80 3gb4 s LEU 46 CO 0.16 -0.82 3.33 -0.67 -1.32 0.00 0.00 176.35 177.03 3gb4 n ASP 47 N 4.60 5.49 -3.45 3.68 4.64 0.34 -4.68 116.55 127.18 3gb4 n ASP 47 Ca 0.14 -2.44 -0.16 0.00 -1.38 0.00 0.00 54.79 50.95 3gb4 n ASP 47 Cb 0.40 -1.36 -0.11 0.00 -1.04 0.00 0.00 41.12 39.01 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 1.34 -0.39 0.27 5.18 1.01 -1.26 -4.19 121.20 123.17 3gb4 s ILE 48 Ca 0.63 -0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.80 3gb4 s ILE 48 Cb 0.28 -0.76 -0.10 0.00 0.01 0.00 0.00 42.46 41.88 3gb4 s ILE 48 CO -0.01 -0.24 1.44 0.00 0.00 0.00 0.00 174.94 176.13 3gb4 h PRO 50 N 4.68 0.00 0.00 0.00 0.11 -1.88 0.11 132.00 135.02 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 0.75 0.02 0.00 1.58 -0.21 0.00 0.00 178.00 180.15 3gb4 n HIS 51 N -3.95 0.00 -1.28 0.65 -0.00 -1.26 -4.67 115.22 104.72 3gb4 n HIS 51 Ca -0.03 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.21 3gb4 n HIS 51 Cb 0.11 -0.24 0.09 0.00 -0.12 0.00 0.00 29.99 29.83 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 -1.21 0.97 -1.11 1.57 1.74 -1.25 -5.02 116.66 112.35 3gb4 n ARG 52 Ca 0.00 -2.00 -0.04 0.00 -0.77 0.00 0.00 57.85 55.04 3gb4 n ARG 52 Cb 0.00 -1.15 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 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 -0.92 0.00 -1.31 -1.55 0.99 0.02 -4.96 117.46 109.72 3gb4 n PHE 53 Ca 0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.22 3gb4 n PHE 53 Cb 0.63 -1.07 0.10 0.00 -1.00 0.00 0.00 39.48 38.14 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 2.08 -0.34 4.37 0.00 -1.26 -4.21 121.76 120.33 3gb4 s ALA 54 Ca 0.00 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 3gb4 s ALA 54 Cb 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3gb4 s ALA 54 CO 0.00 -1.91 1.25 -1.25 0.00 0.00 0.00 175.76 173.84 3gb4 s PRO 55 N -4.30 3.88 0.53 0.00 0.04 -1.26 -1.11 135.00 132.79 3gb4 s PRO 55 Ca 0.69 1.09 0.29 0.00 0.04 0.00 0.00 61.00 63.10 3gb4 s PRO 55 Cb -0.24 -3.87 1.51 0.00 0.04 0.00 0.00 34.50 31.94 3gb4 s PRO 55 CO 0.49 -1.16 2.08 -0.07 0.04 0.00 0.00 177.00 178.39 3gb4 h LEU 56 N 10.91 0.00 -0.77 -3.56 3.38 -1.89 -2.15 115.31 121.22 3gb4 h LEU 56 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3gb4 h LEU 56 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3gb4 h LEU 56 CO 1.05 0.10 0.00 -1.54 0.09 0.00 0.00 178.44 178.14 3gb4 n SER 57 N -3.55 0.55 -0.66 -0.43 3.41 -1.26 -1.19 113.62 110.48 3gb4 n SER 57 Ca -0.02 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 3gb4 n SER 57 Cb 0.23 -0.77 0.37 0.00 -0.26 0.00 0.00 64.21 63.78 3gb4 n SER 57 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gb4 n ASP 58 N -2.14 2.03 -2.81 4.04 10.43 -0.81 -4.54 116.55 122.76 3gb4 n ASP 58 Ca 0.01 -1.72 -0.08 0.00 2.57 0.00 0.00 54.79 55.58 3gb4 n ASP 58 Cb 0.17 -0.08 0.04 0.00 1.84 0.00 0.00 41.12 43.09 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 1.22 0.57 3.31 0.44 0.00 -0.33 -4.75 105.19 105.65 3gb4 n GLY 59 Ca 0.17 -1.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.93 1.11 0.10 -0.61 -4.36 -1.23 -4.60 121.20 110.68 3gb4 s ILE 60 Ca 0.22 -2.05 -0.28 0.00 -0.26 0.00 0.00 60.65 58.28 3gb4 s ILE 60 Cb -0.01 -2.18 -0.06 0.00 1.25 0.00 0.00 42.46 41.46 3gb4 s ILE 60 CO 0.14 -0.47 0.86 -0.76 0.24 0.00 0.00 174.94 174.96 3gb4 s LEU 61 N -3.26 4.50 -0.25 0.37 1.02 -1.26 -1.02 118.68 118.78 3gb4 s LEU 61 Ca 0.24 1.66 0.00 0.00 0.02 0.00 0.00 54.13 56.05 3gb4 s LEU 61 Cb 0.04 -3.42 0.07 0.00 0.02 0.00 0.00 46.19 42.90 3gb4 s LEU 61 CO 0.06 0.01 -0.01 -0.69 0.02 0.00 0.00 176.35 175.75 3gb4 s VAL 62 N -0.24 1.30 -1.35 -1.59 1.01 0.25 -4.72 120.40 115.06 3gb4 s VAL 62 Ca 0.42 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 3gb4 s VAL 62 Cb -0.22 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.46 3gb4 s VAL 62 CO 0.27 -0.25 1.17 0.59 0.00 0.00 0.00 175.10 176.88 3gb4 n ASN 63 N 4.73 -6.02 0.00 3.32 3.02 -1.26 -1.77 115.26 117.29 3gb4 n ASN 63 Ca -0.09 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 3gb4 n ASN 63 Cb 0.44 -5.04 0.00 0.00 -0.61 0.00 0.00 39.78 34.57 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 -1.94 1.42 3.49 7.41 0.00 -1.26 -5.02 105.19 109.29 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 -3.61 2.72 -0.05 1.61 3.76 -0.73 -4.71 115.29 114.27 3gb4 s HIS 65 Ca 0.00 -0.15 -0.30 0.00 -0.15 0.00 0.00 55.06 54.46 3gb4 s HIS 65 Cb 0.00 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 32.04 3gb4 s HIS 65 CO 0.00 0.22 1.40 -1.17 -0.85 0.00 0.00 174.74 174.35 3gb4 s LEU 66 N -0.90 4.28 -0.19 0.89 2.96 -0.99 0.85 118.68 125.58 3gb4 s LEU 66 Ca 0.13 2.01 -0.09 0.00 -0.22 0.00 0.00 54.13 55.96 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 0.02 -0.76 0.09 -1.58 -1.32 0.00 0.00 176.35 172.80 3gb4 s GLN 67 N 2.97 4.06 0.22 1.98 0.74 -0.19 -1.21 119.66 128.23 3gb4 s GLN 67 Ca 0.63 -0.29 -0.30 0.00 0.05 0.00 0.00 55.36 55.44 3gb4 s GLN 67 Cb -0.29 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.41 3gb4 s GLN 67 CO 0.24 0.27 1.47 0.00 -0.55 0.00 0.00 175.29 176.72 3gb4 n PRO 69 N 2.87 0.11 -0.05 0.00 -0.04 -1.26 -2.58 135.00 134.05 3gb4 n PRO 69 Ca 0.09 0.16 -0.03 0.00 -0.04 0.00 0.00 63.50 63.68 3gb4 n PRO 69 Cb 0.40 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.00 0.54 -0.00 -1.93 -3.44 116.97 112.14 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 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.99 3gb4 h TYR 70 CO 0.00 0.00 -0.06 0.72 -0.00 0.00 0.00 178.16 178.82 3gb4 n HIS 71 N -3.95 0.00 -0.97 -3.82 8.25 -1.26 -5.04 115.22 108.43 3gb4 n HIS 71 Ca -0.05 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 56.82 3gb4 n HIS 71 Cb 0.17 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.77 0.58 3.77 -1.41 0.00 -1.06 -4.82 105.19 101.47 3gb4 n GLY 72 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 4.14 -0.01 0.99 1.43 -1.26 -4.60 118.68 119.37 3gb4 s LEU 73 Ca 0.00 2.84 0.06 0.00 -1.03 0.00 0.00 54.13 56.00 3gb4 s LEU 73 Cb 0.00 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.26 3gb4 s LEU 73 CO 0.00 -1.09 -0.18 -1.61 0.23 0.00 0.00 176.35 173.69 3gb4 s GLU 74 N -2.40 2.25 0.11 1.70 2.02 -0.63 -0.56 118.70 121.19 3gb4 s GLU 74 Ca 0.60 -0.86 0.06 0.00 0.02 0.00 0.00 54.97 54.80 3gb4 s GLU 74 Cb -0.42 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 3gb4 s GLU 74 CO 0.54 0.58 -0.16 -0.06 0.02 0.00 0.00 175.26 176.18 3gb4 s PHE 75 N -0.78 1.47 0.53 1.61 0.40 -0.35 -0.54 117.98 120.32 3gb4 s PHE 75 Ca 0.12 -0.51 0.07 0.00 -0.60 0.00 0.00 56.93 56.01 3gb4 s PHE 75 Cb -0.10 -0.78 0.06 0.00 0.51 0.00 0.00 43.02 42.70 3gb4 s PHE 75 CO 0.02 0.16 0.73 0.16 0.70 0.00 0.00 175.22 176.99 3gb4 s ASP 76 N -2.27 5.25 0.61 1.36 1.47 -0.29 -2.33 116.67 120.48 3gb4 s ASP 76 Ca 0.07 -0.52 0.30 0.00 1.18 0.00 0.00 52.55 53.59 3gb4 s ASP 76 Cb -0.07 -0.26 1.66 0.00 -0.34 0.00 0.00 42.92 43.91 3gb4 s ASP 76 CO 0.03 -1.15 2.02 1.23 0.68 0.00 0.00 175.17 177.98 3gb4 h GLY 77 N 0.26 0.00 -0.83 2.12 0.00 -1.90 0.13 103.07 102.85 3gb4 h GLY 77 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3gb4 h GLY 77 CO 0.44 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.59 3gb4 n GLY 78 N -1.36 0.29 1.44 4.60 0.00 -1.26 -4.56 105.19 104.34 3gb4 n GLY 78 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.75 3.72 -0.02 0.00 0.46 -4.45 105.19 106.85 3gb4 n GLY 79 Ca 0.18 0.00 -0.42 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 -0.50 4.56 -0.23 1.61 0.74 -1.26 -0.43 119.66 124.15 3gb4 s GLN 80 Ca 0.00 1.62 -0.29 0.00 0.05 0.00 0.00 55.36 56.74 3gb4 s GLN 80 Cb 0.00 -3.36 -0.01 0.00 1.10 0.00 0.00 33.01 30.74 3gb4 s GLN 80 CO 0.00 -0.03 1.35 0.00 -0.55 0.00 0.00 175.29 176.06 3gb4 n VAL 82 N 5.91 0.00 -3.65 0.00 0.24 0.30 -4.94 118.33 116.19 3gb4 n VAL 82 Ca 0.15 -0.17 -0.05 0.00 -2.04 0.00 0.00 64.34 62.23 3gb4 n VAL 82 Cb 0.46 1.15 -0.06 0.00 -1.47 0.00 0.00 33.84 33.92 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 -2.60 -1.17 -0.27 6.34 2.46 -1.19 -4.98 115.29 113.89 3gb4 s HIS 83 Ca 0.14 2.19 0.02 0.00 0.47 0.00 0.00 55.06 57.88 3gb4 s HIS 83 Cb 0.17 0.69 0.07 0.00 -0.13 0.00 0.00 32.58 33.38 3gb4 s HIS 83 CO 0.66 -0.58 -0.05 1.21 -2.47 0.00 0.00 174.74 173.51 3gb4 s ASN 84 N 2.14 4.29 0.00 9.88 2.47 -1.26 -1.60 114.94 130.85 3gb4 s ASN 84 Ca -0.08 -1.48 0.18 0.00 0.42 0.00 0.00 52.86 51.90 3gb4 s ASN 84 Cb -0.08 -1.41 1.07 0.00 -1.45 0.00 0.00 41.25 39.38 3gb4 s ASN 84 CO -0.19 -0.25 1.54 -0.81 -3.72 0.00 0.00 177.10 173.67 3gb4 n PRO 85 N 4.50 0.77 -4.26 0.43 -0.04 -1.26 -4.22 135.00 130.91 3gb4 n PRO 85 Ca -0.09 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.02 3gb4 n PRO 85 Cb 0.43 -1.36 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 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 3.21 0.00 0.54 3.76 -1.26 -4.89 115.29 114.66 3gb4 s HIS 86 Ca 0.27 0.21 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 3gb4 s HIS 86 Cb 0.12 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 32.04 3gb4 s HIS 86 CO 0.21 0.51 0.00 0.41 -0.85 0.00 0.00 174.74 175.02 3gb4 n GLY 87 N 1.85 3.18 0.00 -2.22 0.00 -1.26 -0.70 105.19 106.04 3gb4 n GLY 87 Ca -0.17 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 2.98 0.00 -1.00 1.61 0.23 -1.26 -4.85 115.26 112.97 3gb4 n ASN 88 Ca 0.00 -0.57 -0.12 0.00 -0.53 0.00 0.00 54.58 53.36 3gb4 n ASN 88 Cb 0.00 -0.04 -0.04 0.00 -2.08 0.00 0.00 39.78 37.61 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 0.35 1.08 3.75 4.83 0.00 0.13 -4.98 105.19 110.34 3gb4 n GLY 89 Ca 0.15 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.47 2.51 -0.54 4.61 0.00 -1.26 -4.48 121.76 120.12 3gb4 s ALA 90 Ca 0.00 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.08 3gb4 s ALA 90 Cb 0.00 -3.48 0.19 0.00 0.00 0.00 0.00 23.12 19.83 3gb4 s ALA 90 CO 0.00 -1.27 0.46 0.54 0.00 0.00 0.00 175.76 175.49 3gb4 n ARG 91 N -1.65 1.09 -1.25 0.00 1.74 -1.26 -4.79 116.66 110.54 3gb4 n ARG 91 Ca 0.14 -3.81 -0.32 0.00 -0.77 0.00 0.00 57.85 53.09 3gb4 n ARG 91 Cb 0.49 -1.90 0.10 0.00 -1.02 0.00 0.00 32.46 30.13 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 -0.92 2.06 0.58 5.56 0.04 -1.26 -4.89 135.00 136.18 3gb4 s PRO 92 Ca 0.31 1.37 0.28 0.00 0.04 0.00 0.00 61.00 63.00 3gb4 s PRO 92 Cb 0.04 -1.86 1.62 0.00 0.04 0.00 0.00 34.50 34.34 3gb4 s PRO 92 CO -0.16 -1.82 2.08 0.00 0.04 0.00 0.00 177.00 177.14 3gb4 h ALA 93 N -0.97 1.87 0.00 8.56 0.00 -2.00 -0.61 119.26 126.11 3gb4 h ALA 93 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gb4 h ALA 93 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3gb4 h ALA 93 CO 0.49 -0.34 0.00 -1.13 0.00 0.00 0.00 179.25 178.27 3gb4 n SER 94 N -3.84 0.22 -0.46 0.00 3.41 -1.26 -2.00 113.62 109.68 3gb4 n SER 94 Ca 0.02 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 3gb4 n SER 94 Cb 0.36 -0.62 0.40 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.77 1.55 -4.81 1.04 4.77 -0.24 -4.90 117.00 112.65 3gb4 n LEU 95 Ca 0.01 -0.50 -0.34 0.00 -0.03 0.00 0.00 56.01 55.15 3gb4 n LEU 95 Cb 0.09 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 3gb4 n LEU 95 CO 0.09 0.27 0.66 0.20 -1.33 0.00 0.00 177.39 177.27 3gb4 s ASN 96 N -2.18 6.96 0.10 -1.43 0.01 -0.85 -4.39 114.94 113.17 3gb4 s ASN 96 Ca 0.32 1.77 0.05 0.00 -0.71 0.00 0.00 52.86 54.28 3gb4 s ASN 96 Cb 0.20 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 3gb4 s ASN 96 CO 0.40 -0.34 -0.00 0.54 -1.51 0.00 0.00 177.10 176.19 3gb4 s VAL 97 N -2.00 3.95 0.30 1.60 0.11 0.42 -4.83 120.40 119.96 3gb4 s VAL 97 Ca 0.60 -1.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.29 3gb4 s VAL 97 Cb -0.13 -2.90 -0.11 0.00 -1.53 0.00 0.00 36.38 31.72 3gb4 s VAL 97 CO 0.17 0.08 1.47 -0.60 -3.33 0.00 0.00 175.10 172.89 3gb4 s ARG 98 N -2.40 4.21 0.01 1.54 3.52 -1.26 -4.36 118.95 120.21 3gb4 s ARG 98 Ca 0.26 2.42 0.09 0.00 -0.13 0.00 0.00 55.73 58.36 3gb4 s ARG 98 Cb -0.11 -3.05 -0.02 0.00 -1.56 0.00 0.00 34.95 30.21 3gb4 s ARG 98 CO 0.18 -0.46 -0.26 0.45 -0.81 0.00 0.00 175.30 174.40 3gb4 s SER 99 N 0.13 3.09 -0.03 -2.12 0.15 -1.26 -1.33 113.70 112.34 3gb4 s SER 99 Ca 0.57 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.70 3gb4 s SER 99 Cb -0.44 -0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 63.52 3gb4 s SER 99 CO 0.51 0.29 0.00 -0.36 1.20 0.00 0.00 173.24 174.88 3gb4 s PHE 100 N -0.69 3.11 0.25 3.44 0.40 -0.03 -4.99 117.98 119.46 3gb4 s PHE 100 Ca 0.11 0.12 -0.31 0.00 -0.60 0.00 0.00 56.93 56.24 3gb4 s PHE 100 Cb -0.10 -1.71 -0.11 0.00 0.51 0.00 0.00 43.02 41.61 3gb4 s PHE 100 CO 0.00 0.47 1.63 -2.14 0.70 0.00 0.00 175.22 175.88 3gb4 s PRO 101 N -1.38 4.14 -0.00 0.24 0.02 -1.26 -4.57 135.00 132.19 3gb4 s PRO 101 Ca 0.18 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.76 3gb4 s PRO 101 Cb -0.11 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3gb4 s PRO 101 CO 0.08 -0.67 0.00 0.54 -0.33 0.00 0.00 177.00 176.63 3gb4 s VAL 102 N 0.55 0.00 -0.04 3.83 0.11 -1.26 -2.18 120.40 121.41 3gb4 s VAL 102 Ca 0.68 0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.74 3gb4 s VAL 102 Cb -0.48 -0.02 0.03 0.00 -1.53 0.00 0.00 36.38 34.38 3gb4 s VAL 102 CO 0.40 0.01 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.48 3gb4 s VAL 103 N 0.07 0.28 -0.36 2.04 1.01 -0.07 -4.99 120.40 118.38 3gb4 s VAL 103 Ca -0.01 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 3gb4 s VAL 103 Cb -0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 3gb4 s VAL 103 CO -0.00 0.19 0.45 -0.70 0.00 0.00 0.00 175.10 175.04 3gb4 s GLU 104 N 1.34 3.52 -0.10 2.72 2.12 -1.26 -0.54 118.70 126.51 3gb4 s GLU 104 Ca -0.05 -0.34 -0.16 0.00 0.36 0.00 0.00 54.97 54.78 3gb4 s GLU 104 Cb -0.13 -3.83 0.04 0.00 0.26 0.00 0.00 34.13 30.46 3gb4 s GLU 104 CO -0.02 -0.63 0.40 0.50 -0.54 0.00 0.00 175.26 174.97 3gb4 s ARG 105 N 2.22 0.59 -1.50 4.30 3.52 -0.26 -4.92 118.95 122.90 3gb4 s ARG 105 Ca 0.15 0.29 -0.13 0.00 -0.13 0.00 0.00 55.73 55.92 3gb4 s ARG 105 Cb -0.16 0.28 0.08 0.00 -1.56 0.00 0.00 34.95 33.59 3gb4 s ARG 105 CO 0.13 -0.12 0.85 -0.25 -0.81 0.00 0.00 175.30 175.10 3gb4 n ASP 106 N 2.17 -4.66 -3.10 -2.12 8.00 -1.26 -1.03 116.55 114.55 3gb4 n ASP 106 Ca -0.16 -0.68 -0.22 0.00 0.71 0.00 0.00 54.79 54.43 3gb4 n ASP 106 Cb 0.57 -3.75 0.05 0.00 -0.02 0.00 0.00 41.12 37.97 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 -4.36 -1.04 -2.99 2.24 0.00 -1.26 -4.69 120.51 108.41 3gb4 n ALA 107 Ca 0.02 0.32 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 3gb4 n ALA 107 Cb 0.53 -4.26 -0.11 0.00 0.00 0.00 0.00 19.45 15.62 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 -6.72 2.13 -0.37 0.00 1.43 -0.19 -4.36 118.68 110.60 3gb4 s LEU 108 Ca 0.37 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.96 3gb4 s LEU 108 Cb -0.16 0.18 0.05 0.00 0.03 0.00 0.00 46.19 46.29 3gb4 s LEU 108 CO 0.46 -0.30 0.16 -0.63 0.23 0.00 0.00 176.35 176.27 3gb4 s ILE 109 N -1.38 3.99 -0.04 -0.59 -1.09 -0.68 -1.10 121.20 120.32 3gb4 s ILE 109 Ca -0.15 -1.20 -0.12 0.00 -2.23 0.00 0.00 60.65 56.95 3gb4 s ILE 109 Cb -0.09 -3.32 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 3gb4 s ILE 109 CO -0.01 -0.29 0.31 0.26 -1.23 0.00 0.00 174.94 173.98 3gb4 s TRP 110 N 1.42 3.67 0.02 3.97 0.52 0.30 -0.72 118.94 128.13 3gb4 s TRP 110 Ca 0.00 0.81 0.02 0.00 0.02 0.00 0.00 56.10 56.96 3gb4 s TRP 110 Cb -0.20 -2.15 -0.01 0.00 -1.15 0.00 0.00 33.47 29.95 3gb4 s TRP 110 CO 0.03 0.67 -0.07 0.42 0.02 0.00 0.00 176.95 178.02 3gb4 s ILE 111 N -1.08 0.52 -0.40 2.03 1.01 0.11 -0.89 121.20 122.49 3gb4 s ILE 111 Ca 0.21 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 3gb4 s ILE 111 Cb -0.15 -0.51 0.08 0.00 0.01 0.00 0.00 42.46 41.89 3gb4 s ILE 111 CO 0.10 -0.13 0.22 0.86 0.00 0.00 0.00 174.94 176.00 3gb4 s TRP 112 N -0.76 3.38 -1.39 3.97 -0.11 -0.92 -1.19 118.94 121.91 3gb4 s TRP 112 Ca -0.04 -1.75 0.29 0.00 1.22 0.00 0.00 56.10 55.82 3gb4 s TRP 112 Cb -0.06 -2.92 1.25 0.00 -1.50 0.00 0.00 33.47 30.24 3gb4 s TRP 112 CO 0.00 -0.87 1.89 -0.35 -4.62 0.00 0.00 176.95 173.00 3gb4 n PRO 113 N 4.82 0.41 0.00 5.86 -0.04 -1.25 -4.23 135.00 140.56 3gb4 n PRO 113 Ca -0.09 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 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 1.35 1.74 3.59 0.55 0.00 -0.43 -4.94 105.19 107.05 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 3.13 0.28 1.61 -0.08 -1.26 -4.84 116.55 115.39 3gb4 n ASP 115 Ca 0.00 0.17 0.17 0.00 -1.51 0.00 0.00 54.79 53.62 3gb4 n ASP 115 Cb 0.00 -1.54 0.93 0.00 2.34 0.00 0.00 41.12 42.85 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 15.21 0.00 0.00 -0.67 0.13 -1.93 -1.62 132.00 143.12 3gb4 h PRO 116 Ca -0.39 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3gb4 h PRO 116 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 3gb4 h PRO 116 CO 0.97 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.73 3gb4 h ALA 117 N 1.91 1.00 -0.46 -0.56 0.00 -2.01 -2.98 119.26 116.15 3gb4 h ALA 117 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gb4 h ALA 117 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gb4 h ALA 117 CO -0.00 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.54 3gb4 n LEU 118 N -3.11 3.41 -4.59 0.00 4.77 -0.61 -4.93 117.00 111.95 3gb4 n LEU 118 Ca 0.01 -1.53 -0.42 0.00 -0.03 0.00 0.00 56.01 54.03 3gb4 n LEU 118 Cb 0.33 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3gb4 n LEU 118 CO 0.28 0.77 1.09 0.00 -1.33 0.00 0.00 177.39 178.19 3gb4 s ALA 119 N -1.40 3.03 -0.29 -1.18 0.00 -1.13 -5.01 121.76 115.78 3gb4 s ALA 119 Ca 0.40 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 3gb4 s ALA 119 Cb 0.23 -4.00 0.04 0.00 0.00 0.00 0.00 23.12 19.39 3gb4 s ALA 119 CO 0.31 -2.56 -0.02 0.34 0.00 0.00 0.00 175.76 173.83 3gb4 s ASP 120 N 2.95 4.74 0.62 0.00 2.15 -1.26 -4.98 116.67 120.88 3gb4 s ASP 120 Ca 0.46 -1.17 0.26 0.00 0.43 0.00 0.00 52.55 52.53 3gb4 s ASP 120 Cb -0.08 -1.70 1.23 0.00 -0.30 0.00 0.00 42.92 42.08 3gb4 s ASP 120 CO 0.27 -0.22 1.67 -0.65 -0.17 0.00 0.00 175.17 176.07 3gb4 h PRO 121 N 8.00 0.00 0.00 4.34 0.11 -2.01 -0.19 132.00 142.25 3gb4 h PRO 121 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3gb4 h PRO 121 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gb4 h PRO 121 CO 0.54 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.11 3gb4 h GLY 122 N 0.00 0.00 -0.21 -0.55 0.00 -2.02 -3.19 103.07 97.11 3gb4 h GLY 122 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3gb4 h GLY 122 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3gb4 n ALA 123 N -1.90 2.59 -2.30 3.60 0.00 -0.08 -4.89 120.51 117.53 3gb4 n ALA 123 Ca 0.03 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 3gb4 n ALA 123 Cb 0.38 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.96 3.71 0.49 0.00 1.01 -1.21 -4.93 121.20 118.31 3gb4 s ILE 124 Ca 0.38 1.21 -0.21 0.00 0.00 0.00 0.00 60.65 62.03 3gb4 s ILE 124 Cb 0.20 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 38.79 3gb4 s ILE 124 CO 0.32 0.08 0.63 -2.65 0.00 0.00 0.00 174.94 173.32 3gb4 n PRO 125 N 4.19 0.69 -3.12 2.79 -0.02 -1.26 -4.93 135.00 133.34 3gb4 n PRO 125 Ca 0.11 0.26 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 3gb4 n PRO 125 Cb 0.44 -1.70 -0.07 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.01 6.34 -0.33 2.55 2.15 -1.26 -4.89 116.67 120.21 3gb4 s ASP 126 Ca 0.66 -0.21 0.09 0.00 0.43 0.00 0.00 52.55 53.52 3gb4 s ASP 126 Cb -0.53 -2.32 0.45 0.00 -0.30 0.00 0.00 42.92 40.23 3gb4 s ASP 126 CO 0.56 -0.72 1.14 0.49 -0.17 0.00 0.00 175.17 176.47 3gb4 n PHE 127 N 6.18 2.65 -0.18 -5.34 3.01 -1.26 -4.89 117.46 117.63 3gb4 n PHE 127 Ca -0.02 -2.53 0.18 0.00 1.01 0.00 0.00 57.45 56.10 3gb4 n PHE 127 Cb 0.48 -0.25 0.54 0.00 -0.01 0.00 0.00 39.48 40.24 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 2.42 0.66 0.86 1.37 0.00 -1.93 -1.96 103.07 104.49 3gb4 h GLY 128 Ca 0.25 -0.15 0.16 0.00 0.00 0.00 0.00 47.33 47.58 3gb4 h GLY 128 CO 0.70 0.03 0.42 0.00 0.00 0.00 0.00 176.54 177.68 3gb4 h ARG 130 N 0.00 0.00 0.00 0.00 3.08 -1.64 -2.82 114.38 113.00 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 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3gb4 h ARG 130 CO -0.00 0.00 -0.12 1.33 -1.07 0.00 0.00 179.97 180.11 3gb4 n VAL 131 N -3.11 1.38 -3.09 2.04 0.24 -0.42 -4.78 118.33 110.59 3gb4 n VAL 131 Ca -0.02 -1.65 -0.40 0.00 -2.04 0.00 0.00 64.34 60.23 3gb4 n VAL 131 Cb 0.16 -0.03 -0.06 0.00 -1.47 0.00 0.00 33.84 32.44 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 -2.34 6.71 0.48 -1.34 -1.08 -1.06 -4.94 116.67 113.10 3gb4 s ASP 132 Ca 0.23 0.87 0.27 0.00 -0.52 0.00 0.00 52.55 53.40 3gb4 s ASP 132 Cb 0.20 -2.36 1.49 0.00 -1.46 0.00 0.00 42.92 40.79 3gb4 s ASP 132 CO 0.02 -0.30 1.82 1.55 0.52 0.00 0.00 175.17 178.78 3gb4 h PRO 133 N 7.49 0.00 -0.00 4.34 0.13 -1.94 0.77 132.00 142.80 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 -0.06 0.00 -0.23 0.00 0.00 178.00 178.49 3gb4 n ALA 134 N -1.83 2.61 -2.45 -0.56 0.00 -1.26 -4.83 120.51 112.19 3gb4 n ALA 134 Ca -0.02 -0.19 -0.25 0.00 0.00 0.00 0.00 53.44 52.98 3gb4 n ALA 134 Cb 0.18 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.60 2.07 -0.20 0.00 1.51 0.26 -4.56 117.35 113.83 3gb4 s TYR 135 Ca 0.26 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.89 3gb4 s TYR 135 Cb 0.20 -1.06 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 3gb4 s TYR 135 CO 0.48 0.37 -0.07 0.50 -1.11 0.00 0.00 175.55 175.72 3gb4 s ARG 136 N -2.46 3.33 -0.12 -0.62 6.06 -0.22 -4.78 118.95 120.14 3gb4 s ARG 136 Ca 0.15 -0.66 -0.00 0.00 -2.50 0.00 0.00 55.73 52.73 3gb4 s ARG 136 Cb -0.08 -2.91 -0.02 0.00 0.06 0.00 0.00 34.95 32.00 3gb4 s ARG 136 CO 0.07 -0.15 -0.11 0.99 -2.50 0.00 0.00 175.30 173.60 3gb4 s THR 137 N 1.32 3.21 0.03 4.11 2.01 -1.25 -1.32 115.64 123.75 3gb4 s THR 137 Ca 0.04 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.45 3gb4 s THR 137 Cb -0.14 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 3gb4 s THR 137 CO -0.04 0.53 -0.08 0.68 -0.69 0.00 0.00 174.62 175.03 3gb4 s VAL 138 N 0.18 0.56 0.00 3.82 -7.23 -0.67 -4.96 120.40 112.09 3gb4 s VAL 138 Ca -0.07 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 3gb4 s VAL 138 Cb -0.15 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.22 3gb4 s VAL 138 CO 0.05 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 3gb4 n GLY 139 N 1.92 1.18 0.00 2.32 0.00 -1.26 -0.33 105.19 109.02 3gb4 n GLY 139 Ca -0.20 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 1.08 3.31 -0.02 0.00 -0.40 -4.97 105.19 104.18 3gb4 n GLY 140 Ca 0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 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 -4.26 2.03 -0.05 1.61 5.04 -1.26 -1.76 117.35 118.70 3gb4 s TYR 141 Ca 0.00 -0.39 -0.07 0.00 -2.44 0.00 0.00 57.07 54.16 3gb4 s TYR 141 Cb 0.00 -1.17 0.01 0.00 0.35 0.00 0.00 41.96 41.15 3gb4 s TYR 141 CO 0.00 0.17 0.19 0.20 -1.34 0.00 0.00 175.55 174.77 3gb4 s GLY 142 N -1.50 -0.10 -0.12 8.97 0.00 0.29 -5.00 107.32 109.85 3gb4 s GLY 142 Ca 0.10 0.38 -0.03 0.00 0.00 0.00 0.00 44.72 45.17 3gb4 s GLY 142 CO 0.03 0.28 -0.02 -1.58 0.00 0.00 0.00 173.10 171.82 3gb4 s HIS 143 N -0.30 3.08 -0.04 1.90 2.46 -1.26 0.37 115.29 121.49 3gb4 s HIS 143 Ca -0.04 -0.05 0.02 0.00 0.47 0.00 0.00 55.06 55.46 3gb4 s HIS 143 Cb -0.03 -1.88 0.01 0.00 -0.13 0.00 0.00 32.58 30.55 3gb4 s HIS 143 CO 0.01 0.20 -0.09 0.08 -2.47 0.00 0.00 174.74 172.47 3gb4 s VAL 144 N -0.20 0.84 -1.48 0.89 1.01 -0.41 -4.99 120.40 116.07 3gb4 s VAL 144 Ca 0.04 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 3gb4 s VAL 144 Cb -0.13 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.49 3gb4 s VAL 144 CO 0.02 0.28 2.67 0.47 0.00 0.00 0.00 175.10 178.54 3gb4 n ASP 145 N 3.66 8.26 -3.83 3.32 8.00 -1.26 -0.67 116.55 134.02 3gb4 n ASP 145 Ca -0.22 -2.84 -0.10 0.00 0.71 0.00 0.00 54.79 52.34 3gb4 n ASP 145 Cb 0.52 -1.47 -0.07 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 -2.58 6.66 0.55 0.00 3.84 -1.26 -2.79 114.94 119.36 3gb4 s ASN 147 Ca 0.01 2.74 0.26 0.00 0.21 0.00 0.00 52.86 56.08 3gb4 s ASN 147 Cb 0.03 -2.64 1.46 0.00 -0.55 0.00 0.00 41.25 39.54 3gb4 s ASN 147 CO -0.08 -0.65 2.01 0.10 -2.79 0.00 0.00 177.10 175.68 3gb4 h TYR 148 N 3.98 0.00 0.00 0.43 -0.00 -1.83 -1.85 116.97 117.70 3gb4 h TYR 148 Ca -0.48 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.23 3gb4 h TYR 148 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.95 3gb4 h TYR 148 CO 0.57 0.00 -0.07 0.87 -0.00 0.00 0.00 178.16 179.53 3gb4 h LYS 149 N 0.00 0.00 -0.06 0.10 1.57 -1.96 -1.93 116.57 114.29 3gb4 h LYS 149 Ca 0.20 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.84 3gb4 h LYS 149 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3gb4 h LYS 149 CO -0.00 0.07 -0.60 -0.07 -0.57 0.00 0.00 179.45 178.28 3gb4 h LEU 150 N 0.00 0.22 0.00 2.94 3.38 -1.71 -1.54 115.31 118.61 3gb4 h LEU 150 Ca -0.00 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.64 3gb4 h LEU 150 Cb 0.34 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3gb4 h LEU 150 CO 0.01 0.77 -1.02 -0.07 0.09 0.00 0.00 178.44 178.22 3gb4 h LEU 151 N 0.14 0.00 -0.22 1.67 3.38 -1.51 -2.40 115.31 116.38 3gb4 h LEU 151 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3gb4 h LEU 151 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3gb4 h LEU 151 CO 0.09 0.89 0.01 0.58 0.09 0.00 0.00 178.44 180.09 3gb4 h VAL 152 N 0.00 1.25 -0.49 1.22 2.07 -1.25 -1.36 116.25 117.69 3gb4 h VAL 152 Ca -0.05 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.69 3gb4 h VAL 152 Cb 1.72 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.82 3gb4 h VAL 152 CO 0.11 0.27 0.10 0.44 0.02 0.00 0.00 177.57 178.50 3gb4 h ASP 153 N 0.15 0.01 -0.04 0.57 3.32 -1.28 -1.85 116.42 117.28 3gb4 h ASP 153 Ca 0.06 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.22 3gb4 h ASP 153 Cb 0.39 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3gb4 h ASP 153 CO 0.01 0.03 -0.10 -1.13 -1.72 0.00 0.00 179.24 176.33 3gb4 h ASN 154 N 0.24 -0.30 0.30 6.45 -0.73 -1.19 -2.74 115.58 117.60 3gb4 h ASN 154 Ca 0.24 0.05 -0.04 0.00 1.87 0.00 0.00 56.30 58.42 3gb4 h ASN 154 Cb 0.32 0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 3gb4 h ASN 154 CO -0.31 -0.14 -0.21 -0.07 -0.37 0.00 0.00 177.43 176.32 3gb4 h LEU 155 N -0.16 0.00 -0.24 0.34 3.38 -0.93 -2.20 115.31 115.50 3gb4 h LEU 155 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gb4 h LEU 155 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3gb4 h LEU 155 CO -0.13 0.21 -0.06 0.23 0.09 0.00 0.00 178.44 178.78 3gb4 n MET 156 N -4.03 0.85 -5.18 1.13 2.81 -0.73 -4.83 117.12 107.15 3gb4 n MET 156 Ca -0.02 -0.24 -0.32 0.00 -1.81 0.00 0.00 57.70 55.31 3gb4 n MET 156 Cb 0.28 -1.49 -0.17 0.00 -0.71 0.00 0.00 33.22 31.13 3gb4 n MET 156 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3gb4 s ASP 157 N -2.32 3.13 0.19 7.83 -1.08 -0.83 -4.38 116.67 119.22 3gb4 s ASP 157 Ca 0.34 -0.55 0.23 0.00 -0.52 0.00 0.00 52.55 52.05 3gb4 s ASP 157 Cb 0.21 -1.42 0.05 0.00 -1.46 0.00 0.00 42.92 40.29 3gb4 s ASP 157 CO 0.43 0.16 1.08 -0.07 0.52 0.00 0.00 175.17 177.29 3gb4 h LEU 158 N 6.73 0.00 -1.19 -1.34 3.38 -1.88 -3.39 115.31 117.62 3gb4 h LEU 158 Ca -0.20 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3gb4 h LEU 158 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3gb4 h LEU 158 CO 0.48 0.02 0.00 1.23 0.09 0.00 0.00 178.44 180.26 3gb4 h GLY 159 N 4.08 0.00 -0.45 0.83 0.00 -1.94 -3.08 103.07 102.51 3gb4 h GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gb4 h GLY 159 CO 0.00 0.00 -0.60 -2.39 0.00 0.00 0.00 176.54 173.55 3gb4 n HIS 160 N -2.39 0.00 -0.27 5.60 1.44 -1.26 -4.46 115.22 113.89 3gb4 n HIS 160 Ca 0.00 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.77 3gb4 n HIS 160 Cb 0.16 -0.03 0.19 0.00 0.12 0.00 0.00 29.99 30.43 3gb4 n HIS 160 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3gb4 h ALA 161 N 3.56 1.11 -0.77 1.59 0.00 -1.82 0.42 119.26 123.35 3gb4 h ALA 161 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3gb4 h ALA 161 Cb 0.64 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3gb4 h ALA 161 CO 0.00 -0.16 0.33 0.37 0.00 0.00 0.00 179.25 179.78 3gb4 h GLN 162 N 0.51 1.14 0.03 0.00 4.15 -1.78 -0.78 115.11 118.38 3gb4 h GLN 162 Ca 0.42 -0.20 -0.33 0.00 0.77 0.00 0.00 58.65 59.31 3gb4 h GLN 162 Cb 0.61 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 28.06 3gb4 h GLN 162 CO -0.38 0.92 -1.95 0.66 -1.93 0.00 0.00 178.83 176.15 3gb4 n TYR 163 N -4.33 0.85 -0.04 3.99 4.02 -0.76 -3.59 117.16 117.30 3gb4 n TYR 163 Ca 0.07 0.26 -0.22 0.00 -0.01 0.00 0.00 57.90 58.00 3gb4 n TYR 163 Cb 0.17 -1.14 -0.13 0.00 -0.02 0.00 0.00 39.34 38.22 3gb4 n TYR 163 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3gb4 n VAL 164 N -3.14 1.68 -1.44 -0.72 0.31 0.14 -4.45 118.33 110.71 3gb4 n VAL 164 Ca -0.26 -0.50 -0.14 0.00 -0.01 0.00 0.00 64.34 63.44 3gb4 n VAL 164 Cb 1.06 -1.76 0.17 0.00 -0.91 0.00 0.00 33.84 32.40 3gb4 n VAL 164 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3gb4 n HIS 165 N -3.70 1.90 -0.33 3.52 8.25 -0.34 -4.77 115.22 119.76 3gb4 n HIS 165 Ca -0.35 -1.86 0.26 0.00 -0.26 0.00 0.00 57.72 55.50 3gb4 n HIS 165 Cb 0.95 -0.68 0.56 0.00 1.12 0.00 0.00 29.99 31.94 3gb4 n HIS 165 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 3gb4 h ARG 166 N 1.19 0.29 -0.23 -0.41 0.11 -1.49 0.17 114.38 114.02 3gb4 h ARG 166 Ca 0.37 -0.02 0.07 0.00 0.10 0.00 0.00 59.98 60.50 3gb4 h ARG 166 Cb 1.86 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.87 3gb4 h ARG 166 CO 0.71 0.19 0.26 0.00 0.10 0.00 0.00 179.97 181.23 3gb4 h ALA 167 N 1.58 1.84 0.00 0.08 0.00 -1.88 -3.36 119.26 117.53 3gb4 h ALA 167 Ca 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3gb4 h ALA 167 Cb 1.72 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3gb4 h ALA 167 CO -0.26 -0.38 -0.00 0.09 0.00 0.00 0.00 179.25 178.70 3gb4 n ASN 168 N -3.73 0.09 -4.65 0.00 5.03 0.42 -5.03 115.26 107.40 3gb4 n ASN 168 Ca 0.03 0.01 -0.40 0.00 0.87 0.00 0.00 54.58 55.08 3gb4 n ASN 168 Cb 0.39 -0.04 -0.06 0.00 -1.02 0.00 0.00 39.78 39.06 3gb4 n ASN 168 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gb4 s ALA 169 N -2.02 3.56 -0.05 5.41 0.00 -0.10 -5.03 121.76 123.53 3gb4 s ALA 169 Ca -0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 3gb4 s ALA 169 Cb 0.00 -3.04 0.06 0.00 0.00 0.00 0.00 23.12 20.15 3gb4 s ALA 169 CO 0.00 -0.65 0.63 1.14 0.00 0.00 0.00 175.76 176.89 3gb4 s GLN 170 N 2.13 1.01 0.00 0.00 -2.07 -1.26 -3.53 119.66 115.94 3gb4 s GLN 170 Ca 0.30 0.20 0.00 0.00 -1.82 0.00 0.00 55.36 54.04 3gb4 s GLN 170 Cb -0.16 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 3gb4 s GLN 170 CO 0.10 -0.31 0.00 0.25 -1.32 0.00 0.00 175.29 174.01 3gb4 n THR 171 N 0.95 0.00 -2.16 3.63 -2.24 -1.26 -5.05 114.28 108.15 3gb4 n THR 171 Ca -0.19 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 3gb4 n THR 171 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 3gb4 n THR 171 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gb4 n ASP 172 N 0.00 -0.92 -4.05 3.42 3.85 -1.26 -5.09 116.55 112.50 3gb4 n ASP 172 Ca 0.00 -1.72 -0.27 0.00 -0.71 0.00 0.00 54.79 52.09 3gb4 n ASP 172 Cb 0.00 0.35 -0.17 0.00 -1.35 0.00 0.00 41.12 39.95 3gb4 n ASP 172 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gb4 s ALA 173 N 0.04 1.54 -0.04 2.12 0.00 -1.26 -4.98 121.76 119.17 3gb4 s ALA 173 Ca 0.03 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.44 3gb4 s ALA 173 Cb 0.13 -0.73 0.09 0.00 0.00 0.00 0.00 23.12 22.62 3gb4 s ALA 173 CO -0.04 0.02 0.99 1.19 0.00 0.00 0.00 175.76 177.92 3gb4 n PHE 174 N 4.02 0.00 0.20 0.00 3.72 -1.26 -4.74 117.46 119.40 3gb4 n PHE 174 Ca -0.20 -0.36 0.05 0.00 -0.05 0.00 0.00 57.45 56.89 3gb4 n PHE 174 Cb 0.52 -0.08 -0.08 0.00 -0.94 0.00 0.00 39.48 38.90 3gb4 n PHE 174 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3gb4 n ASP 175 N -0.50 1.70 -4.01 4.37 2.03 -1.26 -4.91 116.55 113.96 3gb4 n ASP 175 Ca 0.05 -0.30 -0.31 0.00 0.52 0.00 0.00 54.79 54.75 3gb4 n ASP 175 Cb 0.63 1.31 -0.15 0.00 -0.72 0.00 0.00 41.12 42.18 3gb4 n ASP 175 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3gb4 s ARG 176 N -2.47 1.98 -0.34 -0.67 0.52 -1.26 -5.04 118.95 111.66 3gb4 s ARG 176 Ca -0.01 -1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 53.99 3gb4 s ARG 176 Cb 0.07 -2.76 0.19 0.00 0.52 0.00 0.00 34.95 32.98 3gb4 s ARG 176 CO 0.45 -0.58 0.86 -0.48 0.02 0.00 0.00 175.30 175.57 3gb4 s LEU 177 N 1.23 -0.89 -0.62 2.53 0.05 -1.26 -5.06 118.68 114.66 3gb4 s LEU 177 Ca -0.08 -0.27 -0.00 0.00 0.05 0.00 0.00 54.13 53.83 3gb4 s LEU 177 Cb -0.19 1.27 0.16 0.00 -2.05 0.00 0.00 46.19 45.37 3gb4 s LEU 177 CO -0.06 -0.12 0.42 -1.83 -0.55 0.00 0.00 176.35 174.21 3gb4 s GLU 178 N 2.22 2.45 -0.28 1.48 -1.05 -1.26 -5.06 118.70 117.20 3gb4 s GLU 178 Ca 0.17 -2.67 -0.11 0.00 -0.15 0.00 0.00 54.97 52.21 3gb4 s GLU 178 Cb -0.02 -3.61 -0.05 0.00 -0.44 0.00 0.00 34.13 30.01 3gb4 s GLU 178 CO -0.15 -1.17 0.21 0.50 0.95 0.00 0.00 175.26 175.59 3gb4 s ARG 179 N -0.32 3.96 -0.19 -4.83 3.52 -1.26 -4.62 118.95 115.22 3gb4 s ARG 179 Ca 0.18 -0.28 -0.12 0.00 -0.13 0.00 0.00 55.73 55.37 3gb4 s ARG 179 Cb -0.20 -3.65 -0.05 0.00 -1.56 0.00 0.00 34.95 29.49 3gb4 s ARG 179 CO -0.04 -0.18 0.23 -1.83 -0.81 0.00 0.00 175.30 172.68 3gb4 s GLU 180 N 1.76 4.21 -0.25 5.12 -1.05 -0.82 -4.92 118.70 122.74 3gb4 s GLU 180 Ca 0.08 -0.04 -0.09 0.00 -0.15 0.00 0.00 54.97 54.77 3gb4 s GLU 180 Cb -0.16 -3.45 -0.04 0.00 -0.44 0.00 0.00 34.13 30.05 3gb4 s GLU 180 CO 0.11 0.22 0.11 0.08 0.95 0.00 0.00 175.26 176.72 3gb4 s VAL 181 N 0.57 4.70 -0.24 1.83 1.01 -1.26 -1.52 120.40 125.49 3gb4 s VAL 181 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 3gb4 s VAL 181 Cb -0.12 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3gb4 s VAL 181 CO 0.02 0.33 0.02 -0.63 0.00 0.00 0.00 175.10 174.84 3gb4 s ILE 182 N 1.50 3.89 -0.24 2.22 1.01 0.11 -4.99 121.20 124.70 3gb4 s ILE 182 Ca 0.06 -0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 3gb4 s ILE 182 Cb -0.15 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3gb4 s ILE 182 CO 0.06 0.34 0.27 -0.69 0.00 0.00 0.00 174.94 174.93 3gb4 s VAL 183 N 1.55 5.27 0.00 2.92 1.01 -1.26 -1.61 120.40 128.27 3gb4 s VAL 183 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3gb4 s VAL 183 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3gb4 s VAL 183 CO 0.01 0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3gb4 n GLY 184 N 4.30 5.51 3.37 4.51 0.00 0.96 -5.02 105.19 118.83 3gb4 n GLY 184 Ca -0.12 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 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 0.80 5.77 -0.28 1.61 -1.08 -1.26 -4.32 116.67 117.91 3gb4 s ASP 185 Ca 0.00 -1.05 0.00 0.00 -0.52 0.00 0.00 52.55 50.98 3gb4 s ASP 185 Cb 0.00 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.42 3gb4 s ASP 185 CO 0.00 -0.41 0.00 0.61 0.52 0.00 0.00 175.17 175.89 3gb4 n GLY 186 N 5.01 0.45 3.20 2.66 0.00 -1.26 -4.95 105.19 110.29 3gb4 n GLY 186 Ca -0.12 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.57 0.36 -0.02 1.61 2.12 -1.26 -0.39 118.70 119.54 3gb4 s GLU 187 Ca 0.00 0.52 -0.00 0.00 0.36 0.00 0.00 54.97 55.84 3gb4 s GLU 187 Cb 0.00 0.11 0.02 0.00 0.26 0.00 0.00 34.13 34.52 3gb4 s GLU 187 CO 0.00 -0.08 0.04 0.42 -0.54 0.00 0.00 175.26 175.10 3gb4 s ILE 188 N 0.52 -0.04 -0.02 -3.70 1.01 0.10 -0.02 121.20 119.05 3gb4 s ILE 188 Ca -0.03 0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.83 3gb4 s ILE 188 Cb -0.04 -0.08 -0.02 0.00 0.01 0.00 0.00 42.46 42.33 3gb4 s ILE 188 CO -0.03 0.06 -0.22 -1.10 0.00 0.00 0.00 174.94 173.65 3gb4 s GLN 189 N 0.72 1.76 -0.25 2.79 -0.21 -0.64 0.30 119.66 124.13 3gb4 s GLN 189 Ca -0.06 -0.77 0.01 0.00 0.02 0.00 0.00 55.36 54.56 3gb4 s GLN 189 Cb -0.08 -1.69 0.04 0.00 1.00 0.00 0.00 33.01 32.28 3gb4 s GLN 189 CO -0.02 0.46 -0.10 0.00 -2.12 0.00 0.00 175.29 173.51 3gb4 s ALA 190 N -0.50 2.58 -0.13 6.09 0.00 0.00 -0.71 121.76 129.10 3gb4 s ALA 190 Ca 0.08 -1.61 -0.04 0.00 0.00 0.00 0.00 51.96 50.40 3gb4 s ALA 190 Cb -0.08 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 3gb4 s ALA 190 CO -0.01 -0.98 -0.00 -0.51 0.00 0.00 0.00 175.76 174.26 3gb4 s LEU 191 N 1.20 3.48 -0.06 0.00 1.43 -0.58 -1.55 118.68 122.61 3gb4 s LEU 191 Ca -0.04 0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3gb4 s LEU 191 Cb -0.18 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.24 3gb4 s LEU 191 CO -0.06 0.25 0.02 -0.32 0.23 0.00 0.00 176.35 176.48 3gb4 s MET 192 N -0.13 0.33 -0.23 1.70 1.75 -1.08 -1.95 119.30 119.69 3gb4 s MET 192 Ca 0.04 0.20 0.00 0.00 -1.25 0.00 0.00 55.69 54.69 3gb4 s MET 192 Cb -0.13 -0.76 0.03 0.00 2.84 0.00 0.00 34.83 36.81 3gb4 s MET 192 CO 0.02 -0.30 -0.11 0.21 -0.65 0.00 0.00 175.02 174.19 3gb4 s LYS 193 N 1.97 2.74 -0.41 4.11 2.20 -1.26 -1.23 119.74 127.86 3gb4 s LYS 193 Ca 0.04 -1.02 -0.04 0.00 -0.36 0.00 0.00 55.97 54.59 3gb4 s LYS 193 Cb -0.12 -2.84 0.11 0.00 -1.51 0.00 0.00 37.83 33.46 3gb4 s LYS 193 CO -0.04 -0.38 0.22 -1.50 -0.36 0.00 0.00 175.35 173.29 3gb4 s ILE 194 N 1.26 3.48 0.23 5.43 2.07 0.82 -4.93 121.20 129.56 3gb4 s ILE 194 Ca -0.01 -1.93 -0.31 0.00 -1.41 0.00 0.00 60.65 57.00 3gb4 s ILE 194 Cb -0.16 -3.33 -0.11 0.00 0.13 0.00 0.00 42.46 38.99 3gb4 s ILE 194 CO -0.07 -0.66 1.56 -2.16 -1.91 0.00 0.00 174.94 171.70 3gb4 s PRO 195 N 1.20 4.19 -0.40 3.50 0.04 -1.26 -2.06 135.00 140.21 3gb4 s PRO 195 Ca 0.07 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3gb4 s PRO 195 Cb -0.23 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.21 3gb4 s PRO 195 CO -0.03 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.84 3gb4 n GLY 196 N 2.93 0.58 3.77 0.56 0.00 -1.26 -4.47 105.19 107.30 3gb4 n GLY 196 Ca 0.11 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.93 2.85 -0.31 -0.02 0.00 -0.88 -4.96 107.32 101.07 3gb4 s GLY 197 Ca 0.00 0.97 -0.26 0.00 0.00 0.00 0.00 44.72 45.43 3gb4 s GLY 197 CO 0.00 1.48 0.94 -1.59 0.00 0.00 0.00 173.10 173.92 3gb4 s THR 198 N -1.44 4.65 0.80 0.90 2.01 -1.26 -4.81 115.64 116.49 3gb4 s THR 198 Ca 0.58 1.47 -0.13 0.00 0.31 0.00 0.00 61.69 63.93 3gb4 s THR 198 Cb -0.30 -4.29 0.08 0.00 0.01 0.00 0.00 72.50 67.99 3gb4 s THR 198 CO 0.38 -0.37 1.17 -2.16 -0.69 0.00 0.00 174.62 172.95 3gb4 s PRO 199 N 3.31 1.79 1.19 4.92 0.04 -1.26 -5.00 135.00 139.98 3gb4 s PRO 199 Ca 0.39 1.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 3gb4 s PRO 199 Cb -0.13 -1.81 0.28 0.00 0.04 0.00 0.00 34.50 32.88 3gb4 s PRO 199 CO 0.14 -2.07 1.04 -1.12 0.04 0.00 0.00 177.00 175.03 3gb4 s SER 200 N -2.41 0.94 0.22 6.66 0.01 -1.26 -4.81 113.70 113.05 3gb4 s SER 200 Ca 0.70 1.06 0.04 0.00 1.31 0.00 0.00 55.95 59.07 3gb4 s SER 200 Cb -0.25 -1.61 0.19 0.00 0.21 0.00 0.00 66.02 64.55 3gb4 s SER 200 CO 0.51 -4.16 1.52 1.62 0.41 0.00 0.00 173.24 173.13 3gb4 h VAL 201 N -2.60 1.42 -0.00 3.43 3.04 -2.00 -2.61 116.25 116.92 3gb4 h VAL 201 Ca -0.53 -2.15 -0.01 0.00 -1.01 0.00 0.00 66.70 63.00 3gb4 h VAL 201 Cb 1.33 2.13 0.00 0.00 -2.01 0.00 0.00 31.29 32.74 3gb4 h VAL 201 CO 0.45 0.63 -0.04 -0.07 -1.01 0.00 0.00 177.57 177.53 3gb4 h LEU 202 N 0.15 0.04 -1.00 3.16 -0.00 -2.03 -3.30 115.31 112.34 3gb4 h LEU 202 Ca -0.02 -0.75 0.00 0.00 -0.00 0.00 0.00 57.88 57.11 3gb4 h LEU 202 Cb 1.21 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 3gb4 h LEU 202 CO 0.10 0.79 0.00 0.24 -0.00 0.00 0.00 178.44 179.57 3gb4 h MET 203 N -0.71 0.00 -0.47 1.13 2.86 -1.94 -3.05 114.93 112.76 3gb4 h MET 203 Ca -0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 3gb4 h MET 203 Cb 0.79 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 3gb4 h MET 203 CO 0.01 0.00 -0.24 0.00 1.06 0.00 0.00 176.91 177.74 3gb4 h ALA 204 N 2.15 0.67 0.00 6.32 0.00 -1.54 -2.95 119.26 123.91 3gb4 h ALA 204 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3gb4 h ALA 204 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3gb4 h ALA 204 CO 0.00 0.67 0.07 0.87 0.00 0.00 0.00 179.25 180.86 3gb4 h LYS 205 N 0.85 0.00 -0.48 0.00 1.57 -1.64 -1.63 116.57 115.25 3gb4 h LYS 205 Ca 0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3gb4 h LYS 205 Cb 0.82 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.07 3gb4 h LYS 205 CO 0.07 0.00 0.09 1.19 -0.57 0.00 0.00 179.45 180.23 3gb4 n PHE 206 N -2.51 1.61 -4.70 -1.35 3.01 -1.12 -4.96 117.46 107.45 3gb4 n PHE 206 Ca -0.02 -1.12 -0.32 0.00 1.01 0.00 0.00 57.45 57.00 3gb4 n PHE 206 Cb 0.11 -0.50 -0.12 0.00 -0.01 0.00 0.00 39.48 38.96 3gb4 n PHE 206 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3gb4 s LEU 207 N -2.97 2.82 -0.04 4.37 2.96 -0.61 -5.04 118.68 120.18 3gb4 s LEU 207 Ca 0.48 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.12 3gb4 s LEU 207 Cb 0.40 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.46 3gb4 s LEU 207 CO 0.09 0.30 -0.04 0.03 -1.32 0.00 0.00 176.35 175.41 3gb4 h ARG 208 N 4.86 0.00 0.00 1.98 3.08 -1.93 -3.51 114.38 118.86 3gb4 h ARG 208 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3gb4 h ARG 208 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3gb4 h ARG 208 CO 0.50 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.81 3gb4 n GLY 209 N 1.74 0.47 0.77 0.04 0.00 -1.26 -5.07 105.19 101.88 3gb4 n GLY 209 Ca -0.02 0.59 -0.01 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 -0.41 -1.67 4.61 0.00 -1.26 -5.11 120.51 116.66 3gb4 n ALA 210 Ca 0.00 -0.16 -0.54 0.00 0.00 0.00 0.00 53.44 52.74 3gb4 n ALA 210 Cb 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 3gb4 n ALA 210 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gb4 n ASN 211 N -0.05 2.35 -3.69 0.00 5.03 -1.23 -4.09 115.26 113.58 3gb4 n ASN 211 Ca -0.06 1.08 -0.10 0.00 0.87 0.00 0.00 54.58 56.36 3gb4 n ASN 211 Cb 0.38 -1.20 -0.11 0.00 -1.02 0.00 0.00 39.78 37.83 3gb4 n ASN 211 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3gb4 s THR 212 N 2.57 -0.19 -0.69 3.41 2.01 -1.22 -5.03 115.64 116.50 3gb4 s THR 212 Ca 0.92 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.94 3gb4 s THR 212 Cb -0.97 -0.59 -0.20 0.00 0.01 0.00 0.00 72.50 70.75 3gb4 s THR 212 CO 0.57 0.05 1.86 -0.81 -0.69 0.00 0.00 174.62 175.61 3gb4 n PRO 213 N 4.59 0.10 0.00 4.92 -0.04 -1.26 -3.75 135.00 139.56 3gb4 n PRO 213 Ca -0.19 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 3gb4 n PRO 213 Cb 0.53 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 3gb4 n PRO 213 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3gb4 n VAL 214 N 6.12 0.00 -2.69 0.52 3.14 -1.26 -4.39 118.33 119.77 3gb4 n VAL 214 Ca 0.43 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.74 3gb4 n VAL 214 Cb 0.32 0.00 0.09 0.00 -1.06 0.00 0.00 33.84 33.19 3gb4 n VAL 214 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3gb4 n ASP 215 N 0.00 -0.52 -3.68 6.55 5.75 -1.25 -4.48 116.55 118.93 3gb4 n ASP 215 Ca 0.00 -2.51 -0.10 0.00 -0.01 0.00 0.00 54.79 52.18 3gb4 n ASP 215 Cb 0.00 0.37 -0.10 0.00 -1.03 0.00 0.00 41.12 40.36 3gb4 n ASP 215 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gb4 s ALA 216 N -1.18 -1.26 0.04 2.12 0.00 -1.19 -1.85 121.76 118.43 3gb4 s ALA 216 Ca 0.23 1.73 0.06 0.00 0.00 0.00 0.00 51.96 53.98 3gb4 s ALA 216 Cb 0.42 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3gb4 s ALA 216 CO -0.04 -0.29 -0.17 -1.58 0.00 0.00 0.00 175.76 173.67 3gb4 s TRP 217 N 1.35 1.50 -0.30 0.00 0.51 -0.15 -0.13 118.94 121.72 3gb4 s TRP 217 Ca -0.09 -0.36 -0.02 0.00 -2.12 0.00 0.00 56.10 53.52 3gb4 s TRP 217 Cb -0.07 -0.90 0.12 0.00 -0.81 0.00 0.00 33.47 31.81 3gb4 s TRP 217 CO -0.13 0.06 0.20 1.21 -0.51 0.00 0.00 176.95 177.78 3gb4 s ASN 218 N -1.11 2.80 0.27 2.95 3.84 -0.36 -1.32 114.94 122.00 3gb4 s ASN 218 Ca 0.05 -1.26 0.10 0.00 0.21 0.00 0.00 52.86 51.95 3gb4 s ASN 218 Cb -0.08 -0.06 -0.05 0.00 -0.55 0.00 0.00 41.25 40.51 3gb4 s ASN 218 CO 0.01 -0.40 -0.15 -1.81 -2.79 0.00 0.00 177.10 171.97 3gb4 s ASP 219 N 2.01 3.18 -0.17 -4.21 1.01 0.06 -2.65 116.67 115.91 3gb4 s ASP 219 Ca 0.11 -1.07 -0.14 0.00 0.71 0.00 0.00 52.55 52.15 3gb4 s ASP 219 Cb -0.16 -0.24 0.05 0.00 1.01 0.00 0.00 42.92 43.58 3gb4 s ASP 219 CO -0.29 -0.12 0.44 -0.51 0.21 0.00 0.00 175.17 174.90 3gb4 s ILE 220 N -2.74 -0.00 -0.10 0.77 2.07 -0.59 0.02 121.20 120.62 3gb4 s ILE 220 Ca 0.28 0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.55 3gb4 s ILE 220 Cb -0.01 -0.62 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 3gb4 s ILE 220 CO 0.12 0.01 -0.16 -0.60 -1.91 0.00 0.00 174.94 172.40 3gb4 s ARG 221 N 0.43 3.03 -0.08 3.50 3.52 0.17 -0.82 118.95 128.69 3gb4 s ARG 221 Ca -0.02 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 54.86 3gb4 s ARG 221 Cb -0.04 -2.47 -0.02 0.00 -1.56 0.00 0.00 34.95 30.86 3gb4 s ARG 221 CO -0.02 0.33 -0.13 -0.46 -0.81 0.00 0.00 175.30 174.21 3gb4 s TRP 222 N 0.02 2.76 0.06 5.12 -0.00 0.15 -1.44 118.94 125.61 3gb4 s TRP 222 Ca -0.06 -0.34 0.08 0.00 -0.00 0.00 0.00 56.10 55.78 3gb4 s TRP 222 Cb -0.15 -1.73 -0.03 0.00 -0.00 0.00 0.00 33.47 31.57 3gb4 s TRP 222 CO 0.05 0.03 -0.22 -0.80 -0.00 0.00 0.00 176.95 176.00 3gb4 s ASN 223 N -0.28 2.68 0.00 5.86 0.01 -0.19 -0.72 114.94 122.29 3gb4 s ASN 223 Ca 0.02 -0.59 0.00 0.00 -0.71 0.00 0.00 52.86 51.59 3gb4 s ASN 223 Cb -0.13 -0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.32 3gb4 s ASN 223 CO 0.03 0.16 0.00 1.17 -1.51 0.00 0.00 177.10 176.95 3gb4 n LYS 224 N 1.61 0.00 0.00 -0.60 4.81 0.47 -3.07 118.16 121.38 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 -2.71 3.15 0.31 -1.26 -4.51 118.33 113.31 3gb4 n VAL 225 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 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 5.03 -0.24 -4.21 4.52 3.41 -1.22 -4.96 113.62 115.95 3gb4 n SER 226 Ca 0.00 -2.37 -0.34 0.00 -0.26 0.00 0.00 58.87 55.90 3gb4 n SER 226 Cb 0.00 0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.48 2.49 0.09 7.33 0.00 -1.17 -1.23 121.76 127.79 3gb4 s ALA 227 Ca 0.21 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 51.07 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 -0.28 -0.16 -1.64 0.00 0.00 0.00 175.76 173.63 3gb4 s MET 228 N 1.20 0.95 -0.05 0.00 -1.94 -0.05 -1.02 119.30 118.38 3gb4 s MET 228 Ca 0.02 -1.08 -0.01 0.00 -1.71 0.00 0.00 55.69 52.91 3gb4 s MET 228 Cb -0.14 -0.99 0.03 0.00 2.01 0.00 0.00 34.83 35.73 3gb4 s MET 228 CO -0.07 0.22 0.01 -1.17 -0.01 0.00 0.00 175.02 174.00 3gb4 s LEU 229 N -1.98 0.67 0.55 -0.03 2.96 -0.52 -0.62 118.68 119.71 3gb4 s LEU 229 Ca 0.03 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.98 3gb4 s LEU 229 Cb -0.09 -0.34 0.06 0.00 0.50 0.00 0.00 46.19 46.33 3gb4 s LEU 229 CO 0.03 -0.18 0.62 0.54 -1.32 0.00 0.00 176.35 176.05 3gb4 s ASN 230 N 1.74 4.96 -0.18 3.68 2.20 0.11 -0.66 114.94 126.80 3gb4 s ASN 230 Ca 0.01 -0.96 -0.05 0.00 -0.94 0.00 0.00 52.86 50.92 3gb4 s ASN 230 Cb -0.13 0.25 0.07 0.00 -2.00 0.00 0.00 41.25 39.43 3gb4 s ASN 230 CO -0.04 -1.19 0.11 0.12 -2.94 0.00 0.00 177.10 173.16 3gb4 s PHE 231 N -2.68 0.12 -0.26 1.54 5.36 0.10 -2.36 117.98 119.81 3gb4 s PHE 231 Ca 0.51 -0.23 -0.03 0.00 -0.96 0.00 0.00 56.93 56.22 3gb4 s PHE 231 Cb -0.05 -0.64 0.02 0.00 -0.34 0.00 0.00 43.02 42.01 3gb4 s PHE 231 CO 0.32 -0.53 -0.02 0.42 -1.46 0.00 0.00 175.22 173.95 3gb4 s ILE 232 N 2.17 3.20 0.16 3.12 -1.09 -0.82 -0.76 121.20 127.18 3gb4 s ILE 232 Ca 0.03 -0.87 -0.07 0.00 -2.23 0.00 0.00 60.65 57.51 3gb4 s ILE 232 Cb -0.16 -2.61 -0.02 0.00 -1.58 0.00 0.00 42.46 38.09 3gb4 s ILE 232 CO -0.10 0.20 0.22 0.00 -1.23 0.00 0.00 174.94 174.04 3gb4 s ALA 233 N 1.39 0.27 -0.02 9.38 0.00 -0.44 -1.73 121.76 130.61 3gb4 s ALA 233 Ca 0.02 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 3gb4 s ALA 233 Cb -0.16 0.89 0.01 0.00 0.00 0.00 0.00 23.12 23.85 3gb4 s ALA 233 CO -0.03 -0.61 0.16 0.54 0.00 0.00 0.00 175.76 175.82 3gb4 s VAL 234 N -4.00 0.05 0.18 0.00 0.11 -0.81 -0.97 120.40 114.96 3gb4 s VAL 234 Ca 0.20 -0.42 0.01 0.00 -2.93 0.00 0.00 61.98 58.84 3gb4 s VAL 234 Cb 0.04 -0.37 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 3gb4 s VAL 234 CO 0.01 -0.23 0.03 0.00 -3.33 0.00 0.00 175.10 171.58 3gb4 s ALA 235 N -0.83 1.32 0.02 1.54 0.00 -0.77 -1.61 121.76 121.42 3gb4 s ALA 235 Ca -0.09 -1.62 -0.26 0.00 0.00 0.00 0.00 51.96 49.99 3gb4 s ALA 235 Cb -0.05 0.72 -0.14 0.00 0.00 0.00 0.00 23.12 23.64 3gb4 s ALA 235 CO 0.01 -0.38 1.14 -1.35 0.00 0.00 0.00 175.76 175.18 3gb4 h PRO 236 N 2.67 -0.90 0.00 0.00 0.11 -1.89 -3.44 132.00 128.55 3gb4 h PRO 236 Ca -0.37 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3gb4 h PRO 236 Cb 1.21 0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.53 3gb4 h PRO 236 CO 0.61 -0.60 0.00 -1.91 -0.21 0.00 0.00 178.00 175.89 3gb4 n GLU 237 N -5.12 0.00 -1.01 1.05 2.13 -1.26 -3.46 120.64 112.96 3gb4 n GLU 237 Ca -0.12 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.59 3gb4 n GLU 237 Cb 0.37 0.00 0.18 0.00 0.27 0.00 0.00 31.44 32.25 3gb4 n GLU 237 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gb4 n GLY 238 N 0.35 5.01 3.80 8.31 0.00 -1.26 -4.19 105.19 117.22 3gb4 n GLY 238 Ca 0.00 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 3gb4 n GLY 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gb4 s THR 239 N -3.46 4.32 0.56 2.61 -4.23 -1.26 -5.04 115.64 109.13 3gb4 s THR 239 Ca 0.49 1.63 -0.18 0.00 -1.18 0.00 0.00 61.69 62.44 3gb4 s THR 239 Cb 0.43 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 70.45 3gb4 s THR 239 CO 0.02 -0.13 1.11 -2.16 -0.54 0.00 0.00 174.62 172.92 3gb4 s PRO 240 N -2.71 3.31 0.41 3.99 0.04 -1.26 -4.93 135.00 133.85 3gb4 s PRO 240 Ca 0.57 1.50 0.26 0.00 0.04 0.00 0.00 61.00 63.37 3gb4 s PRO 240 Cb -0.13 -2.01 1.37 0.00 0.04 0.00 0.00 34.50 33.77 3gb4 s PRO 240 CO 0.17 -0.86 1.62 0.87 0.04 0.00 0.00 177.00 178.84 3gb4 h LYS 241 N 0.97 0.10 -0.06 4.56 1.57 -1.99 0.11 116.57 121.83 3gb4 h LYS 241 Ca -0.49 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.24 3gb4 h LYS 241 Cb 1.25 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3gb4 h LYS 241 CO 0.57 0.06 -0.18 0.93 -0.57 0.00 0.00 179.45 180.26 3gb4 h GLU 242 N 0.10 0.09 -0.58 3.15 3.07 -2.02 -2.98 114.58 115.41 3gb4 h GLU 242 Ca 0.82 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.63 3gb4 h GLU 242 Cb 2.40 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 30.28 3gb4 h GLU 242 CO -0.51 0.28 0.03 1.04 -1.40 0.00 0.00 179.01 178.45 3gb4 n GLN 243 N -4.28 4.73 -3.01 2.33 1.13 0.37 -4.99 117.38 113.66 3gb4 n GLN 243 Ca -0.02 -3.16 -0.18 0.00 -1.94 0.00 0.00 57.00 51.71 3gb4 n GLN 243 Cb 0.27 -2.25 0.01 0.00 0.11 0.00 0.00 30.24 28.38 3gb4 n GLN 243 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3gb4 s SER 244 N -0.86 5.64 -0.26 1.08 1.04 -1.13 -4.95 113.70 114.26 3gb4 s SER 244 Ca 0.54 -0.32 -0.24 0.00 0.48 0.00 0.00 55.95 56.42 3gb4 s SER 244 Cb 0.42 -0.77 -0.01 0.00 0.10 0.00 0.00 66.02 65.76 3gb4 s SER 244 CO 0.15 -0.78 0.79 -0.63 0.98 0.00 0.00 173.24 173.76 3gb4 s ILE 245 N -2.39 4.84 0.23 -1.02 1.01 -0.64 -4.92 121.20 118.31 3gb4 s ILE 245 Ca 0.54 1.41 -0.13 0.00 0.00 0.00 0.00 60.65 62.48 3gb4 s ILE 245 Cb -0.10 -4.10 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 3gb4 s ILE 245 CO 0.34 -0.11 0.45 -1.38 0.00 0.00 0.00 174.94 174.24 3gb4 s HIS 246 N 2.83 0.31 -0.05 3.97 -3.43 -1.26 -1.92 115.29 115.75 3gb4 s HIS 246 Ca 0.33 -0.67 0.02 0.00 -0.80 0.00 0.00 55.06 53.94 3gb4 s HIS 246 Cb -0.15 0.17 0.01 0.00 -1.43 0.00 0.00 32.58 31.18 3gb4 s HIS 246 CO 0.09 -0.93 -0.09 0.45 -2.00 0.00 0.00 174.74 172.26 3gb4 s SER 247 N -2.99 1.34 -0.33 7.38 0.15 -0.71 -1.92 113.70 116.62 3gb4 s SER 247 Ca 0.20 -0.21 -0.11 0.00 0.70 0.00 0.00 55.95 56.53 3gb4 s SER 247 Cb 0.00 -0.54 -0.00 0.00 -1.71 0.00 0.00 66.02 63.77 3gb4 s SER 247 CO 0.06 0.02 0.19 -0.13 1.20 0.00 0.00 173.24 174.58 3gb4 s ARG 248 N 0.57 3.25 -0.23 5.44 0.52 0.42 -1.95 118.95 126.96 3gb4 s ARG 248 Ca -0.10 -0.79 -0.14 0.00 -0.52 0.00 0.00 55.73 54.18 3gb4 s ARG 248 Cb -0.13 -3.66 -0.04 0.00 0.52 0.00 0.00 34.95 31.63 3gb4 s ARG 248 CO 0.02 -0.49 0.34 0.20 0.02 0.00 0.00 175.30 175.38 3gb4 s GLY 249 N 1.63 2.00 -0.14 -3.53 0.00 -0.99 -1.01 107.32 105.28 3gb4 s GLY 249 Ca 0.04 -0.69 -0.25 0.00 0.00 0.00 0.00 44.72 43.83 3gb4 s GLY 249 CO 0.07 0.78 0.79 -1.59 0.00 0.00 0.00 173.10 173.15 3gb4 s THR 250 N 1.49 4.93 -0.32 0.90 2.01 -0.08 -0.71 115.64 123.87 3gb4 s THR 250 Ca 0.15 1.57 -0.02 0.00 0.31 0.00 0.00 61.69 63.71 3gb4 s THR 250 Cb -0.15 -4.11 0.12 0.00 0.01 0.00 0.00 72.50 68.37 3gb4 s THR 250 CO 0.08 0.10 0.18 -1.00 -0.69 0.00 0.00 174.62 173.29 3gb4 s HIS 251 N 1.73 0.39 -0.09 4.92 3.76 0.21 -1.23 115.29 124.99 3gb4 s HIS 251 Ca 0.38 -1.12 0.05 0.00 -0.15 0.00 0.00 55.06 54.22 3gb4 s HIS 251 Cb -0.17 -0.85 -0.00 0.00 1.11 0.00 0.00 32.58 32.67 3gb4 s HIS 251 CO 0.15 -0.84 -0.24 0.42 -0.85 0.00 0.00 174.74 173.37 3gb4 s ILE 252 N 1.69 2.03 -0.00 0.60 1.01 -0.32 -0.88 121.20 125.33 3gb4 s ILE 252 Ca 0.13 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.79 3gb4 s ILE 252 Cb -0.19 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 3gb4 s ILE 252 CO -0.20 0.56 -0.08 -0.76 0.00 0.00 0.00 174.94 174.46 3gb4 s LEU 253 N 0.21 3.12 -0.09 2.97 1.43 -0.36 -0.62 118.68 125.34 3gb4 s LEU 253 Ca -0.15 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3gb4 s LEU 253 Cb -0.17 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.31 3gb4 s LEU 253 CO 0.07 0.29 0.04 -0.89 0.23 0.00 0.00 176.35 176.09 3gb4 s THR 254 N -0.97 0.18 0.30 5.49 2.01 -0.41 -4.67 115.64 117.56 3gb4 s THR 254 Ca 0.16 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.95 3gb4 s THR 254 Cb -0.11 -0.49 -0.13 0.00 0.01 0.00 0.00 72.50 71.78 3gb4 s THR 254 CO 0.07 0.09 1.33 -2.65 -0.69 0.00 0.00 174.62 172.77 3gb4 n PRO 255 N 5.20 2.06 -0.06 4.92 -0.02 -1.26 -0.23 135.00 145.61 3gb4 n PRO 255 Ca -0.06 0.73 -0.07 0.00 -2.02 0.00 0.00 63.50 62.08 3gb4 n PRO 255 Cb 0.49 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 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 1.21 0.39 -3.41 -0.52 2.13 0.23 -1.45 120.64 119.22 3gb4 n GLU 256 Ca 0.08 0.15 -0.15 0.00 0.66 0.00 0.00 57.16 57.90 3gb4 n GLU 256 Cb 0.34 -1.18 -0.04 0.00 0.27 0.00 0.00 31.44 30.83 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 0.23 6.31 -2.24 -0.90 -1.03 114.28 112.52 3gb4 n THR 257 Ca -0.10 -1.38 0.06 0.00 -2.27 0.00 0.00 64.05 60.36 3gb4 n THR 257 Cb 0.38 0.46 0.53 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.00 -0.10 -0.78 4.57 -1.97 -3.06 114.58 113.24 3gb4 h GLU 258 Ca -0.19 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.96 3gb4 h GLU 258 Cb 0.71 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 3gb4 h GLU 258 CO 0.31 0.16 -0.14 0.00 -1.18 0.00 0.00 179.01 178.16 3gb4 n ALA 259 N -2.50 3.03 -3.18 2.92 0.00 -1.26 -4.18 120.51 115.34 3gb4 n ALA 259 Ca -0.03 -2.82 -0.13 0.00 0.00 0.00 0.00 53.44 50.47 3gb4 n ALA 259 Cb 0.23 -0.48 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.76 -0.30 0.20 0.00 1.04 -1.12 -1.62 113.70 109.14 3gb4 s SER 260 Ca 0.37 0.03 -0.14 0.00 0.48 0.00 0.00 55.95 56.68 3gb4 s SER 260 Cb 0.33 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.89 3gb4 s SER 260 CO 0.01 -0.67 0.45 0.00 0.98 0.00 0.00 173.24 174.02 3gb4 s HIS 262 N -3.93 3.42 -0.16 0.00 3.76 0.68 -1.28 115.29 117.77 3gb4 s HIS 262 Ca 0.14 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 3gb4 s HIS 262 Cb 0.00 -1.86 0.03 0.00 1.11 0.00 0.00 32.58 31.86 3gb4 s HIS 262 CO 0.00 0.62 -0.11 -0.47 -0.85 0.00 0.00 174.74 173.94 3gb4 s TYR 263 N -1.02 2.13 -0.22 1.40 6.04 0.16 -1.29 117.35 124.55 3gb4 s TYR 263 Ca 0.16 -1.28 -0.06 0.00 0.04 0.00 0.00 57.07 55.94 3gb4 s TYR 263 Cb -0.12 -1.55 -0.02 0.00 -1.04 0.00 0.00 41.96 39.23 3gb4 s TYR 263 CO 0.06 -0.67 0.01 -0.06 -1.54 0.00 0.00 175.55 173.35 3gb4 s PHE 264 N 1.49 3.04 0.21 4.97 0.40 0.21 -0.55 117.98 127.75 3gb4 s PHE 264 Ca 0.03 -0.56 0.08 0.00 -0.60 0.00 0.00 56.93 55.87 3gb4 s PHE 264 Cb -0.14 -2.15 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 3gb4 s PHE 264 CO -0.09 -0.36 -0.15 -0.59 0.70 0.00 0.00 175.22 174.73 3gb4 s PHE 265 N 1.34 1.73 -0.05 0.36 -0.12 -0.72 -1.18 117.98 119.34 3gb4 s PHE 265 Ca 0.04 -0.56 -0.31 0.00 -0.05 0.00 0.00 56.93 56.05 3gb4 s PHE 265 Cb -0.15 -0.80 0.11 0.00 -0.63 0.00 0.00 43.02 41.56 3gb4 s PHE 265 CO 0.01 0.37 1.08 0.20 -0.05 0.00 0.00 175.22 176.83 3gb4 s GLY 266 N -3.30 -0.36 -0.06 1.99 0.00 -0.36 -1.28 107.32 103.95 3gb4 s GLY 266 Ca 0.22 1.04 0.01 0.00 0.00 0.00 0.00 44.72 46.00 3gb4 s GLY 266 CO 0.07 0.32 -0.06 -0.45 0.00 0.00 0.00 173.10 172.98 3gb4 s SER 267 N -2.53 1.32 -0.34 1.64 0.15 0.55 -0.90 113.70 113.61 3gb4 s SER 267 Ca 0.09 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.58 3gb4 s SER 267 Cb -0.00 -0.58 0.09 0.00 -1.71 0.00 0.00 66.02 63.82 3gb4 s SER 267 CO -0.05 -0.05 0.05 -0.44 1.20 0.00 0.00 173.24 173.95 3gb4 s SER 268 N 1.01 4.83 0.19 5.45 0.01 -0.18 -1.68 113.70 123.34 3gb4 s SER 268 Ca -0.09 -1.94 0.06 0.00 1.31 0.00 0.00 55.95 55.29 3gb4 s SER 268 Cb -0.14 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 3gb4 s SER 268 CO -0.00 -0.37 0.15 0.00 0.41 0.00 0.00 173.24 173.43 3gb4 s ARG 269 N 1.01 2.89 -0.12 12.44 1.70 -0.43 -0.44 118.95 136.01 3gb4 s ARG 269 Ca 0.06 -0.94 0.15 0.00 -0.47 0.00 0.00 55.73 54.53 3gb4 s ARG 269 Cb -0.20 -2.61 0.48 0.00 -0.57 0.00 0.00 34.95 32.05 3gb4 s ARG 269 CO -0.06 0.46 1.39 0.27 -1.08 0.00 0.00 175.30 176.27 3gb4 n ASN 270 N -0.62 3.68 -4.12 -2.89 6.94 -0.81 -1.06 115.26 116.39 3gb4 n ASN 270 Ca -0.08 -2.66 -0.16 0.00 -0.02 0.00 0.00 54.58 51.66 3gb4 n ASN 270 Cb 0.56 -0.45 -0.12 0.00 -2.36 0.00 0.00 39.78 37.41 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 -2.18 0.96 -1.62 -2.53 -0.12 -1.26 -4.79 117.98 106.43 3gb4 s PHE 271 Ca 0.37 -0.47 -0.01 0.00 -0.05 0.00 0.00 56.93 56.77 3gb4 s PHE 271 Cb 0.27 -0.55 0.00 0.00 -0.63 0.00 0.00 43.02 42.11 3gb4 s PHE 271 CO 0.12 -0.01 0.16 0.41 -0.05 0.00 0.00 175.22 175.85 3gb4 n GLY 272 N 1.41 -0.51 0.43 1.99 0.00 -1.26 -4.86 105.19 102.40 3gb4 n GLY 272 Ca -0.22 0.03 0.25 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 -0.36 0.51 -1.01 -0.61 2.04 -1.90 -1.53 117.51 114.65 3gb4 h ILE 273 Ca -0.48 -0.10 -0.65 0.00 1.00 0.00 0.00 64.86 64.63 3gb4 h ILE 273 Cb 1.35 0.18 -0.33 0.00 -0.74 0.00 0.00 36.82 37.28 3gb4 h ILE 273 CO 0.55 0.05 0.38 0.47 0.00 0.00 0.00 178.15 179.60 3gb4 n ASP 274 N -4.52 6.85 -4.00 1.72 8.00 -1.26 -4.86 116.55 118.47 3gb4 n ASP 274 Ca 0.25 -3.78 -0.31 0.00 0.71 0.00 0.00 54.79 51.66 3gb4 n ASP 274 Cb 0.95 -0.79 -0.15 0.00 -0.02 0.00 0.00 41.12 41.11 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 -2.32 4.66 0.37 -2.24 -1.08 -0.58 -4.98 116.67 110.51 3gb4 s ASP 275 Ca 0.60 -2.37 0.06 0.00 -0.52 0.00 0.00 52.55 50.33 3gb4 s ASP 275 Cb 0.47 -1.63 0.72 0.00 -1.46 0.00 0.00 42.92 41.03 3gb4 s ASP 275 CO -0.03 -0.34 1.94 1.55 0.52 0.00 0.00 175.17 178.80 3gb4 h PRO 276 N 7.34 0.45 0.00 4.34 0.13 -1.89 -2.04 132.00 140.34 3gb4 h PRO 276 Ca -0.05 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 3gb4 h PRO 276 Cb 0.99 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 3gb4 h PRO 276 CO 0.56 0.45 -0.06 1.05 -0.23 0.00 0.00 178.00 179.77 3gb4 h GLU 277 N 0.44 0.00 -0.01 0.86 4.11 -1.98 -2.70 114.58 115.30 3gb4 h GLU 277 Ca 0.10 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.39 3gb4 h GLU 277 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3gb4 h GLU 277 CO 0.00 0.06 -0.64 1.98 0.07 0.00 0.00 179.01 180.48 3gb4 h MET 278 N 0.00 0.04 -0.19 1.06 4.05 -1.74 -2.76 114.93 115.39 3gb4 h MET 278 Ca -0.00 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3gb4 h MET 278 Cb 0.85 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.65 3gb4 h MET 278 CO 0.01 0.67 0.09 -0.44 0.23 0.00 0.00 176.91 177.47 3gb4 h ASP 279 N 0.03 0.25 -0.87 1.39 3.45 -1.28 -1.71 116.42 117.68 3gb4 h ASP 279 Ca -0.01 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 3gb4 h ASP 279 Cb 1.14 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 39.80 3gb4 h ASP 279 CO 0.09 0.31 0.51 1.23 -1.57 0.00 0.00 179.24 179.80 3gb4 h GLY 280 N 0.18 1.27 0.94 2.75 0.00 -1.51 -2.34 103.07 104.37 3gb4 h GLY 280 Ca 0.07 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3gb4 h GLY 280 CO -0.01 0.53 -0.27 -2.08 0.00 0.00 0.00 176.54 174.71 3gb4 h VAL 281 N 1.20 0.43 -0.99 4.60 2.07 -1.23 -1.68 116.25 120.66 3gb4 h VAL 281 Ca 0.31 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.75 3gb4 h VAL 281 Cb -0.02 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 3gb4 h VAL 281 CO -0.06 0.02 0.65 -0.07 0.02 0.00 0.00 177.57 178.13 3gb4 h LEU 282 N -0.82 1.11 -0.95 2.57 3.38 -1.29 -1.73 115.31 117.59 3gb4 h LEU 282 Ca -0.08 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3gb4 h LEU 282 Cb 0.60 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3gb4 h LEU 282 CO 0.13 0.79 -0.28 -0.09 0.09 0.00 0.00 178.44 179.07 3gb4 h ARG 283 N 1.30 0.42 -0.12 1.13 2.43 -1.39 -2.57 114.38 115.60 3gb4 h ARG 283 Ca 0.37 -0.17 -0.22 0.00 -0.81 0.00 0.00 59.98 59.16 3gb4 h ARG 283 Cb -0.10 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3gb4 h ARG 283 CO -0.10 0.67 -0.80 0.77 -1.51 0.00 0.00 179.97 179.00 3gb4 h SER 284 N 0.37 0.84 -0.34 -3.80 0.02 -0.75 -1.46 113.55 108.43 3gb4 h SER 284 Ca 0.05 -0.57 -0.11 0.00 -0.84 0.00 0.00 61.79 60.33 3gb4 h SER 284 Cb 0.69 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3gb4 h SER 284 CO 0.05 1.36 -0.17 -0.50 -1.14 0.00 0.00 176.83 176.43 3gb4 h TRP 285 N 0.47 0.90 -0.35 3.45 4.06 -1.29 0.20 115.95 123.38 3gb4 h TRP 285 Ca -0.06 -0.19 -0.06 0.00 2.06 0.00 0.00 58.89 60.64 3gb4 h TRP 285 Cb 1.43 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 29.35 3gb4 h TRP 285 CO 0.08 0.91 -0.02 1.96 -3.56 0.00 0.00 178.44 177.81 3gb4 h GLN 286 N 0.71 0.64 -0.90 0.49 4.20 -1.45 -0.02 115.11 118.78 3gb4 h GLN 286 Ca 0.11 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.61 3gb4 h GLN 286 Cb 0.67 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 3gb4 h GLN 286 CO 0.05 0.77 0.58 0.00 -0.67 0.00 0.00 178.83 179.56 3gb4 h ALA 287 N 0.85 1.14 -0.27 3.87 0.00 -0.89 -2.27 119.26 121.69 3gb4 h ALA 287 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3gb4 h ALA 287 Cb 0.49 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3gb4 h ALA 287 CO 0.02 0.56 0.09 0.37 0.00 0.00 0.00 179.25 180.29 3gb4 h GLN 288 N 1.23 0.42 -0.15 0.00 5.75 -0.38 0.21 115.11 122.18 3gb4 h GLN 288 Ca 0.33 -0.09 0.04 0.00 -0.15 0.00 0.00 58.65 58.78 3gb4 h GLN 288 Cb -0.12 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.36 3gb4 h GLN 288 CO -0.07 0.48 0.13 0.00 -2.65 0.00 0.00 178.83 176.71 3gb4 h ALA 289 N 0.92 1.94 0.00 3.38 0.00 -0.62 -2.16 119.26 122.72 3gb4 h ALA 289 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gb4 h ALA 289 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gb4 h ALA 289 CO -0.00 -0.20 -0.04 -0.11 0.00 0.00 0.00 179.25 178.90 3gb4 n LEU 290 N -4.17 0.12 0.03 0.00 7.94 -0.89 -1.69 117.00 118.35 3gb4 n LEU 290 Ca 0.01 0.27 -0.11 0.00 -1.11 0.00 0.00 56.01 55.07 3gb4 n LEU 290 Cb 0.25 -0.53 -0.05 0.00 0.53 0.00 0.00 43.42 43.62 3gb4 n LEU 290 CO 0.31 -0.50 0.81 0.58 -1.11 0.00 0.00 177.39 177.49 3gb4 h VAL 291 N -0.07 0.78 -0.00 1.96 2.07 -1.04 0.13 116.25 120.08 3gb4 h VAL 291 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3gb4 h VAL 291 Cb 0.04 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3gb4 h VAL 291 CO 0.00 0.00 -0.26 0.29 0.02 0.00 0.00 177.57 177.62 3gb4 n LYS 292 N -5.21 0.34 0.11 1.57 4.76 -0.82 -4.44 118.16 114.48 3gb4 n LYS 292 Ca -0.05 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 3gb4 n LYS 292 Cb 0.13 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 3gb4 n LYS 292 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3gb4 n GLU 293 N -1.19 0.00 -0.27 1.97 1.02 -1.15 -4.79 120.64 116.22 3gb4 n GLU 293 Ca 0.09 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.18 3gb4 n GLU 293 Cb 0.32 -0.09 0.09 0.00 -0.02 0.00 0.00 31.44 31.74 3gb4 n GLU 293 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3gb4 h ASP 294 N 0.00 1.06 -0.65 1.62 3.32 -1.15 -2.91 116.42 117.72 3gb4 h ASP 294 Ca 0.00 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 56.93 3gb4 h ASP 294 Cb 0.00 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.22 3gb4 h ASP 294 CO 0.00 0.95 0.36 0.50 -1.72 0.00 0.00 179.24 179.33 3gb4 h LYS 295 N 1.11 0.65 -0.60 3.56 3.64 -0.96 -1.31 116.57 122.67 3gb4 h LYS 295 Ca 0.25 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3gb4 h LYS 295 Cb 0.24 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3gb4 h LYS 295 CO -0.02 0.43 0.38 0.28 -2.27 0.00 0.00 179.45 178.26 3gb4 h VAL 296 N 0.67 1.11 0.29 2.00 2.07 -1.73 -0.61 116.25 120.06 3gb4 h VAL 296 Ca 0.29 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3gb4 h VAL 296 Cb 0.16 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3gb4 h VAL 296 CO -0.17 0.14 -0.14 0.58 0.02 0.00 0.00 177.57 178.00 3gb4 h VAL 297 N 0.76 0.71 -0.20 2.57 2.07 -1.34 -2.69 116.25 118.14 3gb4 h VAL 297 Ca 0.23 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 3gb4 h VAL 297 Cb -0.03 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 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 -0.75 1.23 -0.12 2.57 -1.51 -1.21 -1.95 116.25 114.52 3gb4 h VAL 298 Ca -0.04 -1.06 -0.12 0.00 -1.23 0.00 0.00 66.70 64.25 3gb4 h VAL 298 Cb 0.50 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.94 3gb4 h VAL 298 CO 0.07 0.33 -0.47 -0.33 -1.23 0.00 0.00 177.57 175.94 3gb4 h GLU 299 N 0.32 0.29 -0.30 5.19 5.08 -1.17 -1.03 114.58 122.97 3gb4 h GLU 299 Ca 0.06 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 3gb4 h GLU 299 Cb 0.53 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3gb4 h GLU 299 CO 0.04 0.71 -0.29 0.00 -1.00 0.00 0.00 179.01 178.46 3gb4 h ALA 300 N 1.27 0.94 -0.39 3.43 0.00 -1.11 -2.50 119.26 120.91 3gb4 h ALA 300 Ca 0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 3gb4 h ALA 300 Cb 0.92 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3gb4 h ALA 300 CO 0.08 0.61 -0.20 0.82 0.00 0.00 0.00 179.25 180.55 3gb4 h ILE 301 N 0.53 1.28 -0.68 0.00 2.04 -0.99 -2.81 117.51 116.88 3gb4 h ILE 301 Ca 0.07 -1.34 0.04 0.00 1.00 0.00 0.00 64.86 64.62 3gb4 h ILE 301 Cb 0.77 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3gb4 h ILE 301 CO 0.06 0.45 0.45 -0.08 0.00 0.00 0.00 178.15 179.03 3gb4 h GLU 302 N 0.63 0.76 0.00 2.37 4.57 -1.01 0.81 114.58 122.71 3gb4 h GLU 302 Ca 0.08 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3gb4 h GLU 302 Cb 0.76 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3gb4 h GLU 302 CO 0.06 0.51 0.00 0.54 -1.18 0.00 0.00 179.01 178.94 3gb4 n ARG 303 N -4.46 0.11 -0.03 1.92 1.74 -0.96 -2.24 116.66 112.74 3gb4 n ARG 303 Ca 0.09 0.36 0.10 0.00 -0.77 0.00 0.00 57.85 57.63 3gb4 n ARG 303 Cb 0.15 -1.72 0.10 0.00 -1.02 0.00 0.00 32.46 29.97 3gb4 n ARG 303 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gb4 n ARG 304 N -1.94 1.94 -0.17 5.56 1.74 0.26 -4.56 116.66 119.49 3gb4 n ARG 304 Ca 0.03 -1.80 -0.07 0.00 -0.77 0.00 0.00 57.85 55.23 3gb4 n ARG 304 Cb 0.20 -1.40 0.02 0.00 -1.02 0.00 0.00 32.46 30.26 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 4.02 0.69 -0.65 5.56 2.43 -1.24 -2.14 114.38 123.04 3gb4 h ARG 305 Ca 0.00 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3gb4 h ARG 305 Cb 0.86 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.21 3gb4 h ARG 305 CO 0.00 0.50 0.35 0.00 -1.51 0.00 0.00 179.97 179.31 3gb4 h ALA 306 N 1.15 0.87 -0.20 2.80 0.00 -1.80 -0.47 119.26 121.61 3gb4 h ALA 306 Ca 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3gb4 h ALA 306 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gb4 h ALA 306 CO -0.03 0.02 -0.04 -0.92 0.00 0.00 0.00 179.25 178.28 3gb4 h TYR 307 N 0.65 0.42 -0.47 0.00 3.20 -1.82 -0.78 116.97 118.17 3gb4 h TYR 307 Ca 0.29 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 3gb4 h TYR 307 Cb 0.20 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3gb4 h TYR 307 CO -0.09 0.62 0.15 -0.39 -1.64 0.00 0.00 178.16 176.81 3gb4 h VAL 308 N 0.11 1.19 -0.01 1.81 -1.51 -1.05 -2.09 116.25 114.69 3gb4 h VAL 308 Ca 0.05 -0.66 -0.23 0.00 -1.23 0.00 0.00 66.70 64.63 3gb4 h VAL 308 Cb 0.47 0.68 0.02 0.00 -2.13 0.00 0.00 31.29 30.33 3gb4 h VAL 308 CO 0.02 0.25 -0.89 -0.33 -1.23 0.00 0.00 177.57 175.38 3gb4 h GLU 309 N 0.68 0.62 -0.86 5.19 5.08 -1.04 -2.80 114.58 121.45 3gb4 h GLU 309 Ca 0.16 -0.66 0.07 0.00 -1.00 0.00 0.00 59.36 57.93 3gb4 h GLU 309 Cb 0.21 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 3gb4 h GLU 309 CO -0.01 1.26 0.56 0.00 -1.00 0.00 0.00 179.01 179.82 3gb4 h ALA 310 N 0.38 1.57 -1.20 3.43 0.00 -0.95 -3.40 119.26 119.09 3gb4 h ALA 310 Ca -0.11 -0.02 -0.46 0.00 0.00 0.00 0.00 54.91 54.32 3gb4 h ALA 310 Cb 1.56 -0.25 0.04 0.00 0.00 0.00 0.00 17.79 19.15 3gb4 h ALA 310 CO 0.18 0.30 -0.10 -0.80 0.00 0.00 0.00 179.25 178.82 3gb4 s ASN 311 N -6.05 5.15 -0.73 0.00 0.01 -0.80 -5.01 114.94 107.51 3gb4 s ASN 311 Ca -0.11 -0.54 -0.02 0.00 -0.71 0.00 0.00 52.86 51.48 3gb4 s ASN 311 Cb 0.20 -0.17 0.41 0.00 0.41 0.00 0.00 41.25 42.10 3gb4 s ASN 311 CO 0.79 -1.24 2.02 0.61 -1.51 0.00 0.00 177.10 177.77 3gb4 n GLY 312 N -2.25 5.75 3.69 0.66 0.00 -1.26 -4.78 105.19 107.02 3gb4 n GLY 312 Ca 0.12 -2.38 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 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 -4.92 4.27 0.11 -0.61 1.01 -1.06 -5.04 121.20 114.95 3gb4 s ILE 313 Ca 0.60 1.60 0.09 0.00 0.00 0.00 0.00 60.65 62.95 3gb4 s ILE 313 Cb 0.48 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 3gb4 s ILE 313 CO -0.16 0.04 -0.21 -0.13 0.00 0.00 0.00 174.94 174.47 3gb4 s ARG 314 N 1.85 1.68 0.45 2.79 0.52 -1.26 -4.80 118.95 120.19 3gb4 s ARG 314 Ca 0.56 -1.21 -0.23 0.00 -0.52 0.00 0.00 55.73 54.32 3gb4 s ARG 314 Cb -0.25 -2.04 -0.08 0.00 0.52 0.00 0.00 34.95 33.10 3gb4 s ARG 314 CO 0.24 0.48 1.15 -1.25 0.02 0.00 0.00 175.30 175.94 3gb4 s PRO 315 N -2.01 3.82 -0.39 3.54 0.04 -1.26 -5.02 135.00 133.72 3gb4 s PRO 315 Ca 0.16 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 3gb4 s PRO 315 Cb -0.10 -2.43 0.02 0.00 0.04 0.00 0.00 34.50 32.02 3gb4 s PRO 315 CO 0.08 -0.49 0.26 0.00 0.04 0.00 0.00 177.00 176.89 3gb4 s ALA 316 N -1.56 3.41 0.41 8.56 0.00 -1.26 -5.07 121.76 126.25 3gb4 s ALA 316 Ca 0.63 -1.70 -0.23 0.00 0.00 0.00 0.00 51.96 50.65 3gb4 s ALA 316 Cb -0.28 -2.77 -0.10 0.00 0.00 0.00 0.00 23.12 19.97 3gb4 s ALA 316 CO 0.34 -1.41 1.00 -1.64 0.00 0.00 0.00 175.76 174.05 3gb4 s MET 317 N 1.64 4.19 0.55 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 55.42 3gb4 s MET 317 Cb -0.19 -2.42 0.04 0.00 2.01 0.00 0.00 34.83 34.27 3gb4 s MET 317 CO 0.09 -0.09 0.36 -0.51 -0.01 0.00 0.00 175.02 174.85 3gb4 s LEU 318 N -2.82 2.60 0.58 -0.03 1.43 -1.26 -5.02 118.68 114.15 3gb4 s LEU 318 Ca 0.59 -1.33 0.35 0.00 -1.03 0.00 0.00 54.13 52.71 3gb4 s LEU 318 Cb -0.17 -1.08 1.77 0.00 0.03 0.00 0.00 46.19 46.74 3gb4 s LEU 318 CO 0.22 -1.11 2.16 0.77 0.23 0.00 0.00 176.35 178.62 3gb4 h SER 319 N 0.80 0.00 0.10 2.29 4.64 -2.06 -2.58 113.55 116.74 3gb4 h SER 319 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 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 0.59 0.05 -0.07 0.00 -0.87 0.00 0.00 176.83 176.53 3gb4 n ASP 321 N -0.37 1.16 -0.07 0.00 8.00 -0.97 -4.56 116.55 119.74 3gb4 n ASP 321 Ca 0.18 -1.29 -0.11 0.00 0.71 0.00 0.00 54.79 54.28 3gb4 n ASP 321 Cb 0.30 0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 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 1.76 -0.38 -0.20 -1.24 4.81 -1.79 0.24 114.58 117.78 3gb4 h GLU 322 Ca 0.00 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3gb4 h GLU 322 Cb 0.42 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3gb4 h GLU 322 CO 0.00 -0.25 0.05 0.00 -0.73 0.00 0.00 179.01 178.08 3gb4 h ALA 323 N 0.31 0.21 -0.57 2.92 0.00 -1.87 -1.46 119.26 118.81 3gb4 h ALA 323 Ca 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gb4 h ALA 323 Cb 0.60 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3gb4 h ALA 323 CO -0.49 -0.37 0.35 0.00 0.00 0.00 0.00 179.25 178.73 3gb4 h ALA 324 N 1.14 0.72 -0.85 0.00 0.00 -1.70 -1.61 119.26 116.97 3gb4 h ALA 324 Ca 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gb4 h ALA 324 Cb 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3gb4 h ALA 324 CO -0.11 0.20 0.56 0.28 0.00 0.00 0.00 179.25 180.18 3gb4 h VAL 325 N 0.77 1.22 -0.32 0.00 2.07 -0.66 0.71 116.25 120.04 3gb4 h VAL 325 Ca 0.20 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 3gb4 h VAL 325 Cb -0.03 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 3gb4 h VAL 325 CO -0.04 0.21 -0.02 0.03 0.02 0.00 0.00 177.57 177.78 3gb4 h ARG 326 N 1.16 0.58 -0.68 1.57 3.08 -0.97 -0.98 114.38 118.14 3gb4 h ARG 326 Ca 0.31 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3gb4 h ARG 326 Cb -0.12 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3gb4 h ARG 326 CO -0.07 0.72 0.30 0.28 -1.07 0.00 0.00 179.97 180.14 3gb4 h VAL 327 N 0.37 1.23 -0.87 2.04 2.07 -1.01 -0.99 116.25 119.10 3gb4 h VAL 327 Ca 0.09 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.95 3gb4 h VAL 327 Cb 0.48 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3gb4 h VAL 327 CO 0.02 0.28 0.57 -1.28 0.02 0.00 0.00 177.57 177.18 3gb4 h SER 328 N 0.95 0.93 0.20 0.57 0.87 -0.66 -1.25 113.55 115.16 3gb4 h SER 328 Ca 0.23 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.62 3gb4 h SER 328 Cb 0.16 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3gb4 h SER 328 CO -0.02 0.64 -0.63 0.03 -0.53 0.00 0.00 176.83 176.31 3gb4 h ARG 329 N 1.07 0.41 -0.51 2.24 3.08 -0.54 -2.48 114.38 117.66 3gb4 h ARG 329 Ca 0.35 -0.29 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 3gb4 h ARG 329 Cb 0.04 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3gb4 h ARG 329 CO -0.10 0.91 -0.16 0.93 -1.07 0.00 0.00 179.97 180.48 3gb4 h GLU 330 N 0.30 1.00 -0.62 0.04 4.39 -0.47 -2.03 114.58 117.19 3gb4 h GLU 330 Ca -0.01 -0.39 -0.08 0.00 0.34 0.00 0.00 59.36 59.22 3gb4 h GLU 330 Cb 1.18 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 3gb4 h GLU 330 CO 0.11 1.07 0.09 0.82 -1.16 0.00 0.00 179.01 179.94 3gb4 h ILE 331 N 0.88 1.26 -0.61 3.13 2.04 -1.22 -2.17 117.51 120.82 3gb4 h ILE 331 Ca 0.13 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 64.97 3gb4 h ILE 331 Cb 0.73 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3gb4 h ILE 331 CO 0.06 0.38 0.40 -0.08 0.00 0.00 0.00 178.15 178.90 3gb4 h GLU 332 N 0.94 0.78 -0.75 2.37 4.81 -1.26 -1.37 114.58 120.10 3gb4 h GLU 332 Ca 0.19 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3gb4 h GLU 332 Cb 0.44 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 3gb4 h GLU 332 CO 0.01 0.52 0.40 0.87 -0.73 0.00 0.00 179.01 180.08 3gb4 h LYS 333 N 0.80 1.04 -0.29 1.92 1.57 -1.11 -1.52 116.57 118.99 3gb4 h LYS 333 Ca 0.23 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 3gb4 h LYS 333 Cb -0.07 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3gb4 h LYS 333 CO -0.06 0.78 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.34 3gb4 h LEU 334 N 1.05 0.52 -0.57 2.94 3.38 -0.74 0.54 115.31 122.43 3gb4 h LEU 334 Ca 0.26 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 3gb4 h LEU 334 Cb 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3gb4 h LEU 334 CO -0.04 0.72 -0.18 -0.33 0.09 0.00 0.00 178.44 178.70 3gb4 h GLU 335 N 0.48 0.95 -0.11 1.13 5.08 -0.52 -2.34 114.58 119.25 3gb4 h GLU 335 Ca 0.08 -0.38 -0.12 0.00 -1.00 0.00 0.00 59.36 57.94 3gb4 h GLU 335 Cb 0.59 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3gb4 h GLU 335 CO 0.04 1.04 -0.41 1.96 -1.00 0.00 0.00 179.01 180.65 3gb4 h GLN 336 N 0.83 0.47 -0.25 2.33 4.20 -1.00 -1.87 115.11 119.81 3gb4 h GLN 336 Ca 0.12 -0.36 0.02 0.00 0.06 0.00 0.00 58.65 58.49 3gb4 h GLN 336 Cb 0.74 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 3gb4 h GLN 336 CO 0.06 0.98 0.17 -0.07 -0.67 0.00 0.00 178.83 179.30 3gb4 h LEU 337 N 0.06 0.22 0.21 1.46 3.38 -0.87 -0.72 115.31 119.04 3gb4 h LEU 337 Ca -0.02 -0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.62 3gb4 h LEU 337 Cb 1.04 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 41.76 3gb4 h LEU 337 CO 0.09 0.15 -1.46 -0.08 0.09 0.00 0.00 178.44 177.23 3gb4 h GLU 338 N 0.25 0.45 0.00 1.13 4.81 -1.39 -3.24 114.58 116.59 3gb4 h GLU 338 Ca 0.10 -0.76 -0.03 0.00 -0.13 0.00 0.00 59.36 58.53 3gb4 h GLU 338 Cb 0.10 0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3gb4 h GLU 338 CO -0.02 1.36 -0.16 0.00 -0.73 0.00 0.00 179.01 179.46 3gb4 h ALA 339 N 0.27 1.14 0.00 2.92 0.00 -0.82 -2.68 119.26 120.09 3gb4 h ALA 339 Ca -0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3gb4 h ALA 339 Cb 2.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.87 3gb4 h ALA 339 CO 0.24 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3gb4 n ALA 340 N -2.24 2.22 0.00 0.00 0.00 -0.32 -2.35 120.51 117.81 3gb4 n ALA 340 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3gb4 n ALA 340 Cb 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3gb4 n ALA 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gb4 n ARG 341 N 0.05 1.69 0.00 0.00 1.74 -1.01 -5.07 116.66 114.05 3gb4 n ARG 341 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 3gb4 n ARG 341 Cb 0.19 -0.80 0.16 0.00 -1.02 0.00 0.00 32.46 30.98 3gb4 n ARG 341 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00