#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rg5 s LEU 2 N 0.00 2.59 0.74 0.00 1.43 -1.26 -4.63 118.68 117.54 1rg5 s LEU 2 Ca 0.00 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.22 1rg5 s LEU 2 Cb 0.00 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.91 1rg5 s LEU 2 CO 0.00 0.14 1.25 -0.76 0.23 0.00 0.00 176.35 177.21 1rg5 s LEU 3 N -2.51 3.34 0.57 1.79 1.43 -1.26 -4.90 118.68 117.13 1rg5 s LEU 3 Ca 0.20 2.50 0.27 0.00 -1.03 0.00 0.00 54.13 56.07 1rg5 s LEU 3 Cb -0.09 -4.60 1.57 0.00 0.03 0.00 0.00 46.19 43.10 1rg5 s LEU 3 CO 0.10 -2.39 2.08 0.77 0.23 0.00 0.00 176.35 177.15 1rg5 h SER 4 N -0.25 0.00 -0.49 2.29 4.64 -2.08 -2.44 113.55 115.22 1rg5 h SER 4 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1rg5 h SER 4 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1rg5 h SER 4 CO 0.49 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.67 1rg5 n PHE 5 N -3.96 0.71 0.03 4.77 1.16 -1.26 -4.77 117.46 114.13 1rg5 n PHE 5 Ca 0.03 -0.52 -0.06 0.00 -1.87 0.00 0.00 57.45 55.03 1rg5 n PHE 5 Cb 0.36 -0.04 -0.11 0.00 -1.61 0.00 0.00 39.48 38.08 1rg5 n PHE 5 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 1rg5 h GLU 6 N 2.87 0.00 -0.70 3.97 4.81 -1.80 -3.39 114.58 120.34 1rg5 h GLU 6 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1rg5 h GLU 6 Cb 0.89 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1rg5 h GLU 6 CO 0.02 0.63 0.39 -0.09 -0.73 0.00 0.00 179.01 179.23 1rg5 h ARG 7 N 0.00 0.96 0.00 1.92 2.43 -1.86 -2.29 114.38 115.53 1rg5 h ARG 7 Ca -0.15 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1rg5 h ARG 7 Cb 1.82 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 31.18 1rg5 h ARG 7 CO 0.09 0.70 -0.02 1.57 -1.51 0.00 0.00 179.97 180.80 1rg5 h LYS 8 N 0.97 0.00 0.00 0.20 2.10 -1.97 -2.13 116.57 115.74 1rg5 h LYS 8 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 1rg5 h LYS 8 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1rg5 h LYS 8 CO -0.04 0.02 -0.86 0.66 -2.00 0.00 0.00 179.45 177.22 1rg5 n TYR 9 N -3.44 0.68 -1.63 0.07 4.01 -0.87 -4.64 117.16 111.34 1rg5 n TYR 9 Ca -0.03 0.20 -0.40 0.00 -0.16 0.00 0.00 57.90 57.51 1rg5 n TYR 9 Cb 0.11 -0.75 -0.01 0.00 -0.31 0.00 0.00 39.34 38.38 1rg5 n TYR 9 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1rg5 n ARG 10 N -2.33 3.61 -3.63 -0.72 1.74 -0.80 -4.93 116.66 109.60 1rg5 n ARG 10 Ca 0.02 -2.64 -0.20 0.00 -0.77 0.00 0.00 57.85 54.26 1rg5 n ARG 10 Cb 0.49 -2.92 -0.01 0.00 -1.02 0.00 0.00 32.46 29.00 1rg5 n ARG 10 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1rg5 s VAL 11 N 1.75 4.50 0.51 1.55 -7.23 -1.26 -5.08 120.40 115.13 1rg5 s VAL 11 Ca 0.58 -0.97 -0.20 0.00 -1.81 0.00 0.00 61.98 59.58 1rg5 s VAL 11 Cb 0.16 -3.58 -0.07 0.00 0.56 0.00 0.00 36.38 33.46 1rg5 s VAL 11 CO -0.07 -0.23 1.09 -2.84 -0.31 0.00 0.00 175.10 172.75 1rg5 s PRO 12 N -4.12 3.58 0.00 4.82 0.02 -1.26 -4.99 135.00 133.06 1rg5 s PRO 12 Ca 0.41 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.95 1rg5 s PRO 12 Cb -0.09 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1rg5 s PRO 12 CO 0.31 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 1rg5 n GLY 13 N 0.03 2.34 0.05 0.52 0.00 -1.26 -5.06 105.19 101.82 1rg5 n GLY 13 Ca 0.10 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1rg5 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rg5 n GLY 14 N -0.08 0.22 3.80 -0.02 0.00 -1.26 -4.45 105.19 103.40 1rg5 n GLY 14 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1rg5 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rg5 s THR 15 N -2.02 3.68 -0.14 2.61 -4.23 -1.26 -4.66 115.64 109.61 1rg5 s THR 15 Ca 0.00 0.84 0.19 0.00 -1.18 0.00 0.00 61.69 61.54 1rg5 s THR 15 Cb 0.00 -3.34 -0.27 0.00 1.34 0.00 0.00 72.50 70.23 1rg5 s THR 15 CO 0.00 -0.43 0.25 0.18 -0.54 0.00 0.00 174.62 174.08 1rg5 n LEU 16 N -1.89 0.08 -3.86 4.79 4.77 -1.26 -4.90 117.00 114.73 1rg5 n LEU 16 Ca 0.09 0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 1rg5 n LEU 16 Cb 0.53 0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 41.80 1rg5 n LEU 16 CO 0.46 0.33 -0.32 -0.69 -1.33 0.00 0.00 177.39 175.84 1rg5 s VAL 17 N -2.81 0.00 0.00 4.08 1.01 -1.26 -4.91 120.40 116.51 1rg5 s VAL 17 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1rg5 s VAL 17 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 36.38 36.40 1rg5 s VAL 17 CO 0.85 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.55 1rg5 n GLY 18 N 3.03 0.74 7.00 4.51 0.00 -1.26 -4.60 105.19 114.61 1rg5 n GLY 18 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1rg5 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rg5 n GLY 19 N -2.00 3.73 0.67 -0.02 0.00 -1.26 -2.42 105.19 103.89 1rg5 n GLY 19 Ca 0.00 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1rg5 n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rg5 n ASN 20 N 6.04 2.07 -0.21 1.61 0.23 -1.26 -4.56 115.26 119.17 1rg5 n ASN 20 Ca 0.00 -1.70 -0.01 0.00 -0.53 0.00 0.00 54.58 52.33 1rg5 n ASN 20 Cb 0.00 -0.04 0.10 0.00 -2.08 0.00 0.00 39.78 37.76 1rg5 n ASN 20 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1rg5 h LEU 21 N 3.08 0.42 -3.13 -4.53 7.12 -1.85 -2.90 115.31 113.52 1rg5 h LEU 21 Ca 0.00 0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 1rg5 h LEU 21 Cb 0.66 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.76 1rg5 h LEU 21 CO 0.00 0.27 -0.00 0.49 -0.13 0.00 0.00 178.44 179.07 1rg5 n PHE 22 N -4.87 0.46 -2.68 1.25 3.01 -1.26 -4.92 117.46 108.45 1rg5 n PHE 22 Ca 0.08 -0.94 -0.43 0.00 1.01 0.00 0.00 57.45 57.16 1rg5 n PHE 22 Cb 0.21 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 1rg5 n PHE 22 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1rg5 n ASP 23 N -0.99 5.03 -3.81 4.37 2.03 -1.10 -1.34 116.55 120.74 1rg5 n ASP 23 Ca 0.19 -2.97 -0.06 0.00 0.52 0.00 0.00 54.79 52.47 1rg5 n ASP 23 Cb 0.76 -1.62 -0.02 0.00 -0.72 0.00 0.00 41.12 39.52 1rg5 n ASP 23 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1rg5 s PHE 24 N 2.36 -0.20 0.13 -0.67 -0.12 -1.26 -5.04 117.98 113.19 1rg5 s PHE 24 Ca 0.46 -0.21 0.09 0.00 -0.05 0.00 0.00 56.93 57.22 1rg5 s PHE 24 Cb 0.02 0.69 -0.04 0.00 -0.63 0.00 0.00 43.02 43.05 1rg5 s PHE 24 CO 0.02 -1.12 -0.17 -1.58 -0.05 0.00 0.00 175.22 172.31 1rg5 s TRP 25 N -3.76 2.52 -0.33 3.49 0.51 -1.26 -1.75 118.94 118.37 1rg5 s TRP 25 Ca 0.11 -0.27 0.01 0.00 -2.12 0.00 0.00 56.10 53.83 1rg5 s TRP 25 Cb -0.05 -1.32 0.08 0.00 -0.81 0.00 0.00 33.47 31.38 1rg5 s TRP 25 CO 0.05 0.42 0.03 0.08 -0.51 0.00 0.00 176.95 177.02 1rg5 s VAL 26 N -1.28 2.57 0.00 4.03 1.01 -0.40 -4.97 120.40 121.37 1rg5 s VAL 26 Ca 0.19 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.21 1rg5 s VAL 26 Cb -0.10 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1rg5 s VAL 26 CO 0.11 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.42 1rg5 n GLY 27 N 4.42 3.45 0.22 4.51 0.00 -1.26 -2.06 105.19 114.47 1rg5 n GLY 27 Ca -0.04 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1rg5 n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rg5 h PRO 28 N 0.00 0.00 -6.30 1.61 0.13 -1.96 -3.43 132.00 122.05 1rg5 h PRO 28 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1rg5 h PRO 28 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1rg5 h PRO 28 CO 0.00 0.09 0.52 -0.06 -0.23 0.00 0.00 178.00 178.32 1rg5 s PHE 29 N -3.33 3.55 0.32 1.56 0.08 -0.87 -5.05 117.98 114.24 1rg5 s PHE 29 Ca 0.05 1.61 -0.28 0.00 0.12 0.00 0.00 56.93 58.43 1rg5 s PHE 29 Cb 0.07 -3.18 -0.09 0.00 -0.57 0.00 0.00 43.02 39.25 1rg5 s PHE 29 CO 0.65 -0.19 1.12 -0.47 -0.10 0.00 0.00 175.22 176.23 1rg5 s TYR 30 N 1.74 3.40 0.00 0.36 5.04 -1.26 -1.28 117.35 125.35 1rg5 s TYR 30 Ca 0.50 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.77 1rg5 s TYR 30 Cb -0.19 -3.31 0.00 0.00 0.35 0.00 0.00 41.96 38.81 1rg5 s TYR 30 CO 0.21 -0.80 0.00 0.28 -1.34 0.00 0.00 175.55 173.90 1rg5 n VAL 31 N 0.77 0.00 -0.76 3.14 0.31 -0.72 -4.89 118.33 116.18 1rg5 n VAL 31 Ca 0.01 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.44 1rg5 n VAL 31 Cb 0.46 -0.69 -0.03 0.00 -0.91 0.00 0.00 33.84 32.66 1rg5 n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rg5 n GLY 32 N 2.71 -2.19 0.27 2.92 0.00 -0.45 -2.22 105.19 106.24 1rg5 n GLY 32 Ca 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 46.02 44.68 1rg5 n GLY 32 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1rg5 h PHE 33 N -0.73 0.85 0.00 1.61 3.57 -1.81 -2.50 116.94 117.93 1rg5 h PHE 33 Ca -0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1rg5 h PHE 33 Cb 0.71 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 1rg5 h PHE 33 CO -0.34 0.51 -0.15 0.74 -2.23 0.00 0.00 178.31 176.84 1rg5 h PHE 34 N 0.90 0.00 -0.50 0.41 0.04 -1.89 -1.48 116.94 114.42 1rg5 h PHE 34 Ca 0.27 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.01 1rg5 h PHE 34 Cb -0.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 1rg5 h PHE 34 CO -0.03 0.15 0.19 0.78 -0.60 0.00 0.00 178.31 178.80 1rg5 h GLY 35 N 2.29 0.81 1.01 -1.45 0.00 -1.01 -1.16 103.07 103.56 1rg5 h GLY 35 Ca -0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1rg5 h GLY 35 CO 0.02 0.42 0.24 -2.08 0.00 0.00 0.00 176.54 175.14 1rg5 h VAL 36 N 0.67 1.24 -0.54 4.60 2.07 -1.17 -2.62 116.25 120.51 1rg5 h VAL 36 Ca 0.17 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 1rg5 h VAL 36 Cb 0.21 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1rg5 h VAL 36 CO -0.01 0.30 0.06 0.00 0.02 0.00 0.00 177.57 177.93 1rg5 h ALA 37 N 1.10 0.71 -0.26 1.67 0.00 -1.24 -2.49 119.26 118.75 1rg5 h ALA 37 Ca 0.21 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1rg5 h ALA 37 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1rg5 h ALA 37 CO -0.01 0.48 -0.30 1.79 0.00 0.00 0.00 179.25 181.21 1rg5 h THR 38 N 0.79 1.28 -0.94 0.00 1.35 -1.09 -1.95 112.91 112.35 1rg5 h THR 38 Ca 0.16 -1.37 -0.01 0.00 -0.55 0.00 0.00 66.41 64.64 1rg5 h THR 38 Cb 0.45 1.40 -0.05 0.00 -1.73 0.00 0.00 68.15 68.23 1rg5 h THR 38 CO 0.02 0.44 0.56 0.15 -0.25 0.00 0.00 175.52 176.44 1rg5 h PHE 39 N 0.45 1.24 -0.00 4.73 3.57 -1.35 -0.15 116.94 125.42 1rg5 h PHE 39 Ca 0.06 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1rg5 h PHE 39 Cb 0.74 -0.41 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 1rg5 h PHE 39 CO 0.03 0.82 -0.00 0.35 -2.23 0.00 0.00 178.31 177.28 1rg5 h PHE 40 N 1.29 0.01 -0.77 0.41 3.57 -1.03 -1.42 116.94 118.99 1rg5 h PHE 40 Ca 0.34 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 1rg5 h PHE 40 Cb -0.05 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1rg5 h PHE 40 CO 0.00 0.41 0.27 0.74 -2.23 0.00 0.00 178.31 177.51 1rg5 h PHE 41 N -0.40 1.21 -0.35 0.41 0.04 -1.31 -2.47 116.94 114.08 1rg5 h PHE 41 Ca 0.00 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 1rg5 h PHE 41 Cb 0.41 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1rg5 h PHE 41 CO 0.07 0.94 -0.10 0.00 -0.60 0.00 0.00 178.31 178.61 1rg5 h ALA 42 N 1.15 0.48 -0.45 2.45 0.00 -0.99 -2.19 119.26 119.71 1rg5 h ALA 42 Ca 0.25 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1rg5 h ALA 42 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1rg5 h ALA 42 CO -0.01 0.35 -0.09 0.00 0.00 0.00 0.00 179.25 179.49 1rg5 h ALA 43 N 0.81 0.62 -0.66 0.00 0.00 -1.22 -1.81 119.26 117.00 1rg5 h ALA 43 Ca 0.09 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1rg5 h ALA 43 Cb 0.62 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1rg5 h ALA 43 CO 0.04 0.50 0.11 1.25 0.00 0.00 0.00 179.25 181.14 1rg5 h LEU 44 N 0.70 1.05 -0.47 0.00 5.85 -1.48 -2.11 115.31 118.84 1rg5 h LEU 44 Ca 0.12 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1rg5 h LEU 44 Cb 0.63 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1rg5 h LEU 44 CO 0.04 1.04 0.26 1.23 -0.34 0.00 0.00 178.44 180.67 1rg5 h GLY 45 N 1.01 0.66 1.04 3.75 0.00 -1.22 -2.58 103.07 105.73 1rg5 h GLY 45 Ca 0.20 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 1rg5 h GLY 45 CO 0.01 0.14 0.00 -2.22 0.00 0.00 0.00 176.54 174.48 1rg5 h ILE 46 N 0.51 1.26 -0.97 2.60 2.04 -1.17 -2.04 117.51 119.75 1rg5 h ILE 46 Ca 0.20 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 65.00 1rg5 h ILE 46 Cb 0.07 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1rg5 h ILE 46 CO -0.12 0.39 0.63 0.40 0.00 0.00 0.00 178.15 179.46 1rg5 h ILE 47 N 0.82 1.15 -0.04 -0.67 2.04 -1.36 -1.68 117.51 117.77 1rg5 h ILE 47 Ca 0.15 -0.41 -0.19 0.00 1.00 0.00 0.00 64.86 65.41 1rg5 h ILE 47 Cb 0.53 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1rg5 h ILE 47 CO 0.03 0.22 -0.79 -0.07 0.00 0.00 0.00 178.15 177.54 1rg5 h LEU 48 N 1.21 0.40 -0.46 1.44 3.38 -1.20 -2.15 115.31 117.93 1rg5 h LEU 48 Ca 0.39 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1rg5 h LEU 48 Cb 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1rg5 h LEU 48 CO -0.13 1.04 0.23 0.40 0.09 0.00 0.00 178.44 180.08 1rg5 h ILE 49 N 0.21 1.18 -0.60 1.22 2.04 -1.11 -0.96 117.51 119.49 1rg5 h ILE 49 Ca -0.04 -0.48 0.09 0.00 1.00 0.00 0.00 64.86 65.43 1rg5 h ILE 49 Cb 1.37 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 1rg5 h ILE 49 CO 0.13 0.19 0.21 0.00 0.00 0.00 0.00 178.15 178.68 1rg5 h ALA 50 N 1.08 0.76 -0.70 1.87 0.00 -1.19 -1.60 119.26 119.48 1rg5 h ALA 50 Ca 0.16 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1rg5 h ALA 50 Cb 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1rg5 h ALA 50 CO -0.02 -0.20 0.18 2.35 0.00 0.00 0.00 179.25 181.56 1rg5 h TRP 51 N 0.39 1.16 -0.98 0.00 7.01 -1.17 -1.89 115.95 120.47 1rg5 h TRP 51 Ca 0.30 -0.13 0.07 0.00 2.11 0.00 0.00 58.89 61.24 1rg5 h TRP 51 Cb 0.37 -0.33 -0.07 0.00 -2.10 0.00 0.00 29.16 27.04 1rg5 h TRP 51 CO -0.17 0.94 0.64 1.03 -2.79 0.00 0.00 178.44 178.08 1rg5 h SER 52 N 1.06 1.01 -0.07 2.65 0.87 -0.72 -2.76 113.55 115.59 1rg5 h SER 52 Ca 0.22 0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.67 1rg5 h SER 52 Cb 0.35 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1rg5 h SER 52 CO -0.00 0.64 -0.36 0.00 -0.53 0.00 0.00 176.83 176.58 1rg5 h ALA 53 N 1.47 0.89 -0.56 6.23 0.00 -0.54 -2.07 119.26 124.68 1rg5 h ALA 53 Ca 0.42 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1rg5 h ALA 53 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1rg5 h ALA 53 CO -0.17 0.63 0.12 -0.39 0.00 0.00 0.00 179.25 179.45 1rg5 h VAL 54 N 0.48 1.25 0.00 0.00 -1.51 -1.12 -1.39 116.25 113.96 1rg5 h VAL 54 Ca 0.05 -0.90 -0.05 0.00 -1.23 0.00 0.00 66.70 64.56 1rg5 h VAL 54 Cb 0.85 0.77 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 1rg5 h VAL 54 CO 0.07 0.33 -0.26 -0.07 -1.23 0.00 0.00 177.57 176.41 1rg5 h LEU 55 N 0.79 0.00 -0.12 4.19 3.38 -1.33 -2.37 115.31 119.85 1rg5 h LEU 55 Ca 0.17 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 1rg5 h LEU 55 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1rg5 h LEU 55 CO 0.00 0.26 -0.95 -0.61 0.09 0.00 0.00 178.44 177.23 1rg5 h GLN 56 N 0.00 0.03 0.00 1.13 4.15 -1.13 -3.49 115.11 115.80 1rg5 h GLN 56 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1rg5 h GLN 56 Cb 0.58 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1rg5 h GLN 56 CO 0.03 0.96 0.00 0.41 -1.93 0.00 0.00 178.83 178.30 1rg5 n GLY 57 N 1.17 0.68 3.40 2.39 0.00 -0.55 -5.10 105.19 107.18 1rg5 n GLY 57 Ca -0.01 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 1rg5 n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rg5 s THR 58 N -2.00 2.21 -1.80 2.61 -4.23 -1.21 -5.01 115.64 106.21 1rg5 s THR 58 Ca 0.00 -2.01 0.15 0.00 -1.18 0.00 0.00 61.69 58.65 1rg5 s THR 58 Cb 0.00 -2.05 0.15 0.00 1.34 0.00 0.00 72.50 71.94 1rg5 s THR 58 CO 0.00 -0.18 1.01 0.79 -0.54 0.00 0.00 174.62 175.70 1rg5 n TRP 59 N 0.25 0.06 -1.99 3.99 7.02 -1.26 -4.56 117.44 120.95 1rg5 n TRP 59 Ca -0.12 -0.05 -0.43 0.00 -1.02 0.00 0.00 57.50 55.88 1rg5 n TRP 59 Cb 0.56 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.43 1rg5 n TRP 59 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1rg5 s ASN 60 N -1.21 6.42 0.61 -0.99 3.84 -1.26 -4.89 114.94 117.45 1rg5 s ASN 60 Ca 0.19 1.98 0.38 0.00 0.21 0.00 0.00 52.86 55.62 1rg5 s ASN 60 Cb 0.13 -2.53 1.96 0.00 -0.55 0.00 0.00 41.25 40.25 1rg5 s ASN 60 CO 0.19 -1.17 2.21 -0.65 -2.79 0.00 0.00 177.10 174.89 1rg5 h PRO 61 N 10.63 0.00 0.00 0.43 0.11 -1.95 -0.39 132.00 140.83 1rg5 h PRO 61 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1rg5 h PRO 61 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1rg5 h PRO 61 CO 0.97 0.02 0.00 1.04 -0.21 0.00 0.00 178.00 179.82 1rg5 n GLN 62 N -3.20 0.07 -0.01 1.05 6.02 -1.26 -4.06 117.38 115.99 1rg5 n GLN 62 Ca -0.02 0.11 0.02 0.00 -0.01 0.00 0.00 57.00 57.10 1rg5 n GLN 62 Cb 0.16 -1.59 -0.04 0.00 1.02 0.00 0.00 30.24 29.80 1rg5 n GLN 62 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1rg5 n LEU 63 N -1.71 0.00 -4.70 1.08 4.77 -0.22 -4.61 117.00 111.61 1rg5 n LEU 63 Ca 0.06 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 1rg5 n LEU 63 Cb 0.33 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1rg5 n LEU 63 CO 0.25 0.02 1.26 -0.38 -1.33 0.00 0.00 177.39 177.21 1rg5 n ILE 64 N -1.75 0.27 -3.71 -0.08 5.41 -0.80 -4.99 119.36 113.71 1rg5 n ILE 64 Ca -0.02 -0.07 -0.12 0.00 1.00 0.00 0.00 62.75 63.54 1rg5 n ILE 64 Cb 0.21 -1.79 -0.13 0.00 -0.71 0.00 0.00 39.64 37.22 1rg5 n ILE 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1rg5 s SER 65 N 0.89 -0.25 -0.32 4.38 0.15 -1.26 -4.36 113.70 112.93 1rg5 s SER 65 Ca 0.74 0.61 -0.10 0.00 0.70 0.00 0.00 55.95 57.90 1rg5 s SER 65 Cb -0.57 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1rg5 s SER 65 CO 0.38 -0.18 0.16 -0.69 1.20 0.00 0.00 173.24 174.12 1rg5 s VAL 66 N 1.44 4.63 0.03 4.45 1.01 -0.59 -4.95 120.40 126.42 1rg5 s VAL 66 Ca -0.08 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 1rg5 s VAL 66 Cb -0.10 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1rg5 s VAL 66 CO -0.09 0.03 0.29 -0.31 0.00 0.00 0.00 175.10 175.01 1rg5 s TYR 67 N 1.61 3.56 0.94 5.22 1.51 -1.26 -1.30 117.35 127.64 1rg5 s TYR 67 Ca 0.04 0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 56.57 1rg5 s TYR 67 Cb -0.17 -2.00 0.16 0.00 -0.11 0.00 0.00 41.96 39.83 1rg5 s TYR 67 CO 0.06 0.58 1.09 -1.25 -1.11 0.00 0.00 175.55 174.93 1rg5 s PRO 68 N -1.91 0.88 0.38 -1.71 0.04 -1.26 -4.26 135.00 127.16 1rg5 s PRO 68 Ca 0.30 0.81 -0.27 0.00 0.04 0.00 0.00 61.00 61.88 1rg5 s PRO 68 Cb -0.13 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 1rg5 s PRO 68 CO 0.18 -2.50 1.39 -2.30 0.04 0.00 0.00 177.00 173.81 1rg5 n PRO 69 N -4.06 2.34 -1.18 0.56 -0.02 -1.26 -4.66 135.00 126.73 1rg5 n PRO 69 Ca 0.07 0.82 -0.33 0.00 -2.02 0.00 0.00 63.50 62.04 1rg5 n PRO 69 Cb 0.55 -2.52 0.12 0.00 -0.02 0.00 0.00 33.50 31.63 1rg5 n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rg5 s ALA 70 N -1.13 1.90 0.49 3.55 0.00 -1.26 -2.76 121.76 122.54 1rg5 s ALA 70 Ca 0.56 0.81 0.25 0.00 0.00 0.00 0.00 51.96 53.57 1rg5 s ALA 70 Cb -0.50 -3.47 1.30 0.00 0.00 0.00 0.00 23.12 20.44 1rg5 s ALA 70 CO 0.62 -2.19 1.89 -0.07 0.00 0.00 0.00 175.76 176.01 1rg5 h LEU 71 N -0.82 0.17 -2.30 0.00 3.38 -1.93 -1.75 115.31 112.06 1rg5 h LEU 71 Ca -0.46 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1rg5 h LEU 71 Cb 1.29 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1rg5 h LEU 71 CO 0.47 0.07 -0.00 1.05 0.09 0.00 0.00 178.44 180.12 1rg5 h GLU 72 N 0.17 0.00 0.00 1.13 9.09 -2.00 -0.98 114.58 122.00 1rg5 h GLU 72 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 1rg5 h GLU 72 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 1rg5 h GLU 72 CO -0.08 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.64 1rg5 n TYR 73 N -3.09 0.34 0.00 2.06 4.02 -0.66 -4.97 117.16 114.85 1rg5 n TYR 73 Ca -0.01 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 1rg5 n TYR 73 Cb 0.18 -0.67 0.00 0.00 -0.02 0.00 0.00 39.34 38.83 1rg5 n TYR 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1rg5 n GLY 74 N 1.15 3.61 1.07 2.72 0.00 -0.37 -2.04 105.19 111.33 1rg5 n GLY 74 Ca 0.06 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1rg5 n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rg5 n LEU 75 N 0.00 4.11 0.00 0.99 4.77 -1.25 -2.29 117.00 123.33 1rg5 n LEU 75 Ca 0.00 -2.82 -0.17 0.00 -0.03 0.00 0.00 56.01 52.99 1rg5 n LEU 75 Cb 0.00 -0.53 0.10 0.00 -2.33 0.00 0.00 43.42 40.66 1rg5 n LEU 75 CO 0.00 0.69 0.44 0.61 -1.33 0.00 0.00 177.39 177.80 1rg5 n GLY 76 N -0.07 0.18 3.78 -0.72 0.00 -0.86 -4.99 105.19 102.51 1rg5 n GLY 76 Ca 0.21 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 1rg5 n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rg5 s GLY 77 N -4.46 2.60 0.32 -0.02 0.00 -1.26 -5.02 107.32 99.48 1rg5 s GLY 77 Ca 0.48 0.74 0.09 0.00 0.00 0.00 0.00 44.72 46.04 1rg5 s GLY 77 CO 0.32 1.10 -0.10 0.00 0.00 0.00 0.00 173.10 174.41 1rg5 s ALA 78 N -1.83 2.80 0.62 3.20 0.00 -1.26 -5.04 121.76 120.24 1rg5 s ALA 78 Ca 0.70 -2.02 -0.18 0.00 0.00 0.00 0.00 51.96 50.45 1rg5 s ALA 78 Cb -0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1rg5 s ALA 78 CO 0.25 0.08 1.25 -2.14 0.00 0.00 0.00 175.76 175.20 1rg5 s PRO 79 N -3.62 2.78 0.15 0.00 0.02 -1.26 -3.87 135.00 129.20 1rg5 s PRO 79 Ca 0.31 1.95 -0.17 0.00 0.02 0.00 0.00 61.00 63.11 1rg5 s PRO 79 Cb 0.02 -1.89 0.05 0.00 0.02 0.00 0.00 34.50 32.69 1rg5 s PRO 79 CO 0.15 -1.39 1.72 -0.07 -0.33 0.00 0.00 177.00 177.08 1rg5 h LEU 80 N 0.74 -0.06 -1.76 -5.54 3.38 -1.93 0.56 115.31 110.70 1rg5 h LEU 80 Ca -0.51 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1rg5 h LEU 80 Cb 1.32 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 1rg5 h LEU 80 CO 0.54 0.01 -0.15 0.00 0.09 0.00 0.00 178.44 178.93 1rg5 h ALA 81 N 1.26 1.66 -1.21 1.53 0.00 -1.97 -2.95 119.26 117.58 1rg5 h ALA 81 Ca 0.15 -0.13 -0.58 0.00 0.00 0.00 0.00 54.91 54.35 1rg5 h ALA 81 Cb 0.19 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.53 1rg5 h ALA 81 CO -0.23 0.18 -0.73 1.63 0.00 0.00 0.00 179.25 180.11 1rg5 n LYS 82 N -4.23 3.49 0.00 0.00 5.02 -0.61 -4.91 118.16 116.93 1rg5 n LYS 82 Ca -0.02 -4.36 0.00 0.00 -2.02 0.00 0.00 58.31 51.91 1rg5 n LYS 82 Cb 0.22 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 1rg5 n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rg5 n GLY 83 N -0.57 1.38 0.36 0.72 0.00 -1.01 -4.42 105.19 101.65 1rg5 n GLY 83 Ca 0.41 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.45 1rg5 n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rg5 h GLY 84 N 0.00 1.45 1.40 -0.02 0.00 -0.97 -2.50 103.07 102.43 1rg5 h GLY 84 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1rg5 h GLY 84 CO 0.00 0.36 0.11 1.41 0.00 0.00 0.00 176.54 178.42 1rg5 h LEU 85 N 1.17 0.70 -0.64 3.11 3.38 -1.75 -2.08 115.31 119.20 1rg5 h LEU 85 Ca 0.41 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 1rg5 h LEU 85 Cb 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1rg5 h LEU 85 CO -0.15 0.71 0.04 -0.25 0.09 0.00 0.00 178.44 178.88 1rg5 h TRP 86 N 0.73 1.19 -0.29 1.13 7.01 -1.70 -1.18 115.95 122.83 1rg5 h TRP 86 Ca 0.16 -0.19 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 1rg5 h TRP 86 Cb 0.29 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 1rg5 h TRP 86 CO 0.02 1.02 0.14 1.96 -2.79 0.00 0.00 178.44 178.79 1rg5 h GLN 87 N 1.01 0.42 -0.40 2.65 4.20 -1.01 -1.83 115.11 120.15 1rg5 h GLN 87 Ca 0.19 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 1rg5 h GLN 87 Cb 0.52 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1rg5 h GLN 87 CO 0.02 0.39 -0.10 0.82 -0.67 0.00 0.00 178.83 179.30 1rg5 h ILE 88 N 0.34 1.27 -0.75 2.54 2.04 -1.30 -2.71 117.51 118.95 1rg5 h ILE 88 Ca 0.10 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 1rg5 h ILE 88 Cb 0.11 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1rg5 h ILE 88 CO -0.01 0.40 0.36 0.40 0.00 0.00 0.00 178.15 179.29 1rg5 h ILE 89 N 0.59 1.24 -0.65 -0.67 2.04 -1.20 -1.22 117.51 117.63 1rg5 h ILE 89 Ca 0.10 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1rg5 h ILE 89 Cb 0.62 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1rg5 h ILE 89 CO 0.04 0.28 0.31 0.74 0.00 0.00 0.00 178.15 179.52 1rg5 h THR 90 N 1.06 1.21 -0.22 -0.27 2.02 -1.22 0.99 112.91 116.48 1rg5 h THR 90 Ca 0.26 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1rg5 h THR 90 Cb 0.11 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1rg5 h THR 90 CO -0.03 0.25 0.05 0.40 0.37 0.00 0.00 175.52 176.55 1rg5 h ILE 91 N 0.91 1.21 -0.59 3.11 2.04 -1.07 -2.21 117.51 120.92 1rg5 h ILE 91 Ca 0.22 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.41 1rg5 h ILE 91 Cb 0.10 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1rg5 h ILE 91 CO -0.03 0.22 0.36 0.00 0.00 0.00 0.00 178.15 178.70 1rg5 h ALA 93 N 1.25 0.33 -0.47 0.00 0.00 -0.77 0.13 119.26 119.74 1rg5 h ALA 93 Ca 0.23 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1rg5 h ALA 93 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1rg5 h ALA 93 CO -0.09 -0.13 0.21 1.15 0.00 0.00 0.00 179.25 180.39 1rg5 h THR 94 N 0.29 0.91 -0.69 0.00 2.02 -1.33 -1.05 112.91 113.06 1rg5 h THR 94 Ca 0.09 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1rg5 h THR 94 Cb 0.09 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1rg5 h THR 94 CO -0.01 0.08 0.46 1.23 0.37 0.00 0.00 175.52 177.64 1rg5 h GLY 95 N 0.41 0.98 1.08 2.16 0.00 -0.99 -2.01 103.07 104.70 1rg5 h GLY 95 Ca 0.21 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1rg5 h GLY 95 CO -0.18 0.36 0.32 0.00 0.00 0.00 0.00 176.54 177.04 1rg5 h ALA 96 N 1.25 1.07 -0.10 3.60 0.00 -0.68 -1.92 119.26 122.48 1rg5 h ALA 96 Ca 0.25 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1rg5 h ALA 96 Cb -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.38 1rg5 h ALA 96 CO -0.05 0.66 -0.42 0.74 0.00 0.00 0.00 179.25 180.18 1rg5 h PHE 97 N 1.15 0.62 -0.26 0.00 0.04 -0.98 -1.81 116.94 115.69 1rg5 h PHE 97 Ca 0.26 -0.26 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1rg5 h PHE 97 Cb 0.21 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1rg5 h PHE 97 CO 0.02 1.02 0.11 0.28 -0.60 0.00 0.00 178.31 179.14 1rg5 h VAL 98 N 0.04 1.17 -0.93 -0.55 2.07 -1.43 -2.11 116.25 114.50 1rg5 h VAL 98 Ca -0.02 -0.50 0.11 0.00 0.82 0.00 0.00 66.70 67.11 1rg5 h VAL 98 Cb 1.06 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 1rg5 h VAL 98 CO 0.09 0.17 0.56 0.28 0.02 0.00 0.00 177.57 178.69 1rg5 h SER 99 N 0.27 0.82 -0.42 0.57 0.02 -1.39 -1.33 113.55 112.08 1rg5 h SER 99 Ca 0.09 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 1rg5 h SER 99 Cb 0.17 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1rg5 h SER 99 CO -0.01 0.44 0.01 -0.25 -1.14 0.00 0.00 176.83 175.89 1rg5 h TRP 100 N 0.91 0.86 -0.32 3.45 2.91 -0.93 -1.64 115.95 121.18 1rg5 h TRP 100 Ca 0.46 -0.12 -0.06 0.00 1.13 0.00 0.00 58.89 60.30 1rg5 h TRP 100 Cb 0.45 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.85 1rg5 h TRP 100 CO -0.03 0.78 -0.03 0.00 -1.03 0.00 0.00 178.44 178.13 1rg5 h ALA 101 N 1.26 0.44 -0.08 2.65 0.00 -0.73 -2.62 119.26 120.17 1rg5 h ALA 101 Ca 0.15 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1rg5 h ALA 101 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1rg5 h ALA 101 CO 0.02 0.23 -0.34 -0.07 0.00 0.00 0.00 179.25 179.09 1rg5 h LEU 102 N 0.38 0.17 -0.72 0.00 3.38 -1.01 -2.41 115.31 115.10 1rg5 h LEU 102 Ca 0.09 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1rg5 h LEU 102 Cb 0.50 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1rg5 h LEU 102 CO 0.02 0.50 0.19 -0.09 0.09 0.00 0.00 178.44 179.15 1rg5 h ARG 103 N 0.14 1.14 -0.57 1.13 2.43 -1.27 -2.30 114.38 115.09 1rg5 h ARG 103 Ca 0.02 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 58.94 1rg5 h ARG 103 Cb 0.67 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1rg5 h ARG 103 CO 0.05 1.00 0.38 0.93 -1.51 0.00 0.00 179.97 180.82 1rg5 h GLU 104 N 1.08 0.71 -0.58 0.20 5.08 -1.05 -2.22 114.58 117.80 1rg5 h GLU 104 Ca 0.23 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1rg5 h GLU 104 Cb 0.36 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1rg5 h GLU 104 CO 0.00 0.47 0.01 0.28 -1.00 0.00 0.00 179.01 178.77 1rg5 h VAL 105 N 0.73 1.26 -0.71 3.13 2.07 -1.07 -1.58 116.25 120.09 1rg5 h VAL 105 Ca 0.22 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1rg5 h VAL 105 Cb -0.01 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1rg5 h VAL 105 CO -0.05 0.41 0.35 -0.33 0.02 0.00 0.00 177.57 177.96 1rg5 h GLU 106 N 0.91 1.01 -0.64 1.57 5.08 -1.12 -1.95 114.58 119.45 1rg5 h GLU 106 Ca 0.17 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1rg5 h GLU 106 Cb 0.54 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1rg5 h GLU 106 CO 0.03 0.79 0.34 0.82 -1.00 0.00 0.00 179.01 179.98 1rg5 h ILE 107 N 0.98 1.21 -0.64 3.13 2.04 -1.23 -2.00 117.51 120.99 1rg5 h ILE 107 Ca 0.24 -0.54 0.06 0.00 1.00 0.00 0.00 64.86 65.62 1rg5 h ILE 107 Cb 0.10 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 1rg5 h ILE 107 CO -0.03 0.23 0.34 0.00 0.00 0.00 0.00 178.15 178.69 1rg5 h ARG 109 N 0.63 0.78 -0.61 0.00 3.08 -0.90 -1.38 114.38 115.98 1rg5 h ARG 109 Ca 0.29 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1rg5 h ARG 109 Cb 0.21 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1rg5 h ARG 109 CO -0.20 0.78 0.26 -0.22 -1.07 0.00 0.00 179.97 179.53 1rg5 h LYS 110 N 0.66 0.89 -0.01 0.04 3.64 -1.28 -3.00 116.57 117.50 1rg5 h LYS 110 Ca 0.15 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1rg5 h LYS 110 Cb 0.37 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1rg5 h LYS 110 CO 0.01 0.71 -0.17 1.28 -2.27 0.00 0.00 179.45 179.01 1rg5 n LEU 111 N -4.33 0.98 -1.90 5.20 4.77 -0.86 -4.97 117.00 115.91 1rg5 n LEU 111 Ca 0.05 -0.25 -0.17 0.00 -0.03 0.00 0.00 56.01 55.61 1rg5 n LEU 111 Cb 0.16 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1rg5 n LEU 111 CO 0.39 0.18 -0.21 0.61 -1.33 0.00 0.00 177.39 177.02 1rg5 n GLY 112 N 1.29 -0.15 3.91 -0.72 0.00 -0.54 -5.03 105.19 103.94 1rg5 n GLY 112 Ca 0.14 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1rg5 n GLY 112 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rg5 s ILE 113 N -2.84 3.33 0.95 -0.61 -4.36 -1.07 -5.06 121.20 111.53 1rg5 s ILE 113 Ca 0.00 -1.24 -0.11 0.00 -0.26 0.00 0.00 60.65 59.04 1rg5 s ILE 113 Cb 0.00 -3.15 0.16 0.00 1.25 0.00 0.00 42.46 40.72 1rg5 s ILE 113 CO 0.00 -0.10 1.10 -0.83 0.24 0.00 0.00 174.94 175.35 1rg5 s GLY 114 N -4.11 1.64 -0.11 6.27 0.00 -1.26 -4.72 107.32 105.03 1rg5 s GLY 114 Ca 0.45 0.25 0.08 0.00 0.00 0.00 0.00 44.72 45.51 1rg5 s GLY 114 CO 0.29 0.74 1.19 -1.72 0.00 0.00 0.00 173.10 173.60 1rg5 n TYR 115 N -4.23 1.05 0.02 1.90 4.01 -1.26 -4.62 117.16 114.04 1rg5 n TYR 115 Ca 0.08 -0.38 -0.01 0.00 -0.16 0.00 0.00 57.90 57.44 1rg5 n TYR 115 Cb 0.53 -0.28 0.27 0.00 -0.31 0.00 0.00 39.34 39.55 1rg5 n TYR 115 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1rg5 h HIS 116 N 2.19 0.50 0.58 -0.72 3.86 -2.00 -3.02 115.15 116.55 1rg5 h HIS 116 Ca 0.00 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.11 1rg5 h HIS 116 Cb 1.20 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 29.54 1rg5 h HIS 116 CO 0.55 0.58 -0.28 0.82 0.86 0.00 0.00 177.93 180.46 1rg5 h ILE 117 N 0.44 0.32 -0.23 2.45 2.04 -2.00 -1.87 117.51 118.66 1rg5 h ILE 117 Ca 0.08 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1rg5 h ILE 117 Cb 0.47 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1rg5 h ILE 117 CO 0.03 0.04 0.15 1.55 0.00 0.00 0.00 178.15 179.92 1rg5 h PRO 118 N -1.00 0.30 -0.02 2.37 0.13 -1.90 -1.74 132.00 130.13 1rg5 h PRO 118 Ca -0.08 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1rg5 h PRO 118 Cb 0.66 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1rg5 h PRO 118 CO 0.13 0.20 -0.03 0.35 -0.23 0.00 0.00 178.00 178.42 1rg5 h PHE 119 N 0.31 -0.06 -0.33 1.56 3.57 -1.50 -2.11 116.94 118.37 1rg5 h PHE 119 Ca 0.09 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1rg5 h PHE 119 Cb -0.02 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1rg5 h PHE 119 CO -0.00 -0.04 0.18 0.00 -2.23 0.00 0.00 178.31 176.22 1rg5 h ALA 120 N 0.98 0.41 -0.76 2.41 0.00 -0.97 -2.80 119.26 118.53 1rg5 h ALA 120 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1rg5 h ALA 120 Cb 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1rg5 h ALA 120 CO -0.05 -0.18 0.50 0.35 0.00 0.00 0.00 179.25 179.87 1rg5 h PHE 121 N 0.37 0.64 0.00 0.00 3.57 -1.26 -2.10 116.94 118.16 1rg5 h PHE 121 Ca 0.13 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1rg5 h PHE 121 Cb 0.02 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1rg5 h PHE 121 CO -0.08 0.28 -0.07 0.00 -2.23 0.00 0.00 178.31 176.21 1rg5 h ALA 122 N 1.63 1.19 -0.55 2.41 0.00 -1.09 -0.85 119.26 122.00 1rg5 h ALA 122 Ca 0.36 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1rg5 h ALA 122 Cb 0.61 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1rg5 h ALA 122 CO -0.13 0.08 0.06 0.74 0.00 0.00 0.00 179.25 180.00 1rg5 h PHE 123 N 0.00 1.00 -0.19 0.00 -1.00 -1.46 -2.39 116.94 112.90 1rg5 h PHE 123 Ca -0.00 -0.15 -0.00 0.00 2.81 0.00 0.00 57.97 60.63 1rg5 h PHE 123 Cb 0.27 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 1rg5 h PHE 123 CO 0.00 0.90 0.12 0.00 -1.61 0.00 0.00 178.31 177.72 1rg5 h ALA 124 N 0.98 0.25 -0.85 2.45 0.00 -1.26 -2.49 119.26 118.34 1rg5 h ALA 124 Ca 0.16 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1rg5 h ALA 124 Cb 0.46 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 1rg5 h ALA 124 CO 0.02 -0.25 0.47 0.82 0.00 0.00 0.00 179.25 180.31 1rg5 h ILE 125 N 0.24 0.83 -1.00 0.00 2.04 -1.49 -1.35 117.51 116.78 1rg5 h ILE 125 Ca 0.07 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1rg5 h ILE 125 Cb 0.01 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.06 1rg5 h ILE 125 CO -0.01 0.13 0.66 0.25 0.00 0.00 0.00 178.15 179.18 1rg5 h LEU 126 N 0.74 1.10 -0.30 1.44 5.85 -1.21 -0.85 115.31 122.08 1rg5 h LEU 126 Ca 0.44 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 59.10 1rg5 h LEU 126 Cb 0.51 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1rg5 h LEU 126 CO -0.30 0.76 -0.01 0.00 -0.34 0.00 0.00 178.44 178.55 1rg5 h ALA 127 N 1.41 0.40 -0.14 1.25 0.00 -0.82 -1.23 119.26 120.14 1rg5 h ALA 127 Ca 0.40 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1rg5 h ALA 127 Cb -0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1rg5 h ALA 127 CO -0.12 0.16 -0.14 -0.92 0.00 0.00 0.00 179.25 178.23 1rg5 h TYR 128 N 0.32 -0.35 0.00 0.00 3.20 -1.23 -2.80 116.97 116.11 1rg5 h TYR 128 Ca 0.08 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1rg5 h TYR 128 Cb 0.45 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1rg5 h TYR 128 CO 0.04 -0.20 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.08 1rg5 h LEU 129 N -0.16 0.00 -0.20 2.82 3.38 -1.00 -2.07 115.31 118.08 1rg5 h LEU 129 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1rg5 h LEU 129 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1rg5 h LEU 129 CO -0.24 0.20 0.13 0.74 0.09 0.00 0.00 178.44 179.36 1rg5 h THR 130 N 0.00 1.06 -0.41 0.22 2.02 -0.97 0.62 112.91 115.46 1rg5 h THR 130 Ca -0.00 -0.11 -0.14 0.00 0.77 0.00 0.00 66.41 66.93 1rg5 h THR 130 Cb 0.36 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1rg5 h THR 130 CO 0.03 0.05 -0.30 -0.07 0.37 0.00 0.00 175.52 175.60 1rg5 h LEU 131 N 0.26 0.92 0.00 2.58 3.38 -1.27 -0.21 115.31 120.98 1rg5 h LEU 131 Ca 0.07 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1rg5 h LEU 131 Cb -0.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1rg5 h LEU 131 CO -0.02 1.15 -1.18 1.33 0.09 0.00 0.00 178.44 179.81 1rg5 n VAL 132 N -4.08 0.00 0.07 1.22 0.24 -0.82 -4.49 118.33 110.47 1rg5 n VAL 132 Ca -0.01 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1rg5 n VAL 132 Cb 0.49 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 1rg5 n VAL 132 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1rg5 n LEU 133 N -1.66 0.63 -0.03 1.34 7.94 0.02 -4.79 117.00 120.45 1rg5 n LEU 133 Ca 0.01 0.23 -0.13 0.00 -1.11 0.00 0.00 56.01 55.02 1rg5 n LEU 133 Cb 0.35 -0.08 -0.08 0.00 0.53 0.00 0.00 43.42 44.13 1rg5 n LEU 133 CO 0.37 -0.71 0.65 -0.26 -1.11 0.00 0.00 177.39 176.33 1rg5 h PHE 134 N 0.00 0.18 0.23 1.96 0.04 -1.02 -2.22 116.94 116.11 1rg5 h PHE 134 Ca 0.00 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1rg5 h PHE 134 Cb 0.07 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1rg5 h PHE 134 CO 0.00 0.56 -0.11 -0.09 -0.60 0.00 0.00 178.31 178.07 1rg5 h ARG 135 N -0.24 -0.30 -0.99 1.51 2.43 -1.26 -2.47 114.38 113.06 1rg5 h ARG 135 Ca 0.01 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.39 1rg5 h ARG 135 Cb 0.52 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.03 1rg5 h ARG 135 CO 0.01 -0.03 0.60 -1.35 -1.51 0.00 0.00 179.97 177.69 1rg5 h PRO 136 N -0.54 0.74 -0.28 0.20 0.11 -1.78 -0.54 132.00 129.91 1rg5 h PRO 136 Ca -0.03 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 1rg5 h PRO 136 Cb 0.40 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1rg5 h PRO 136 CO 0.05 0.49 -0.03 0.28 -0.21 0.00 0.00 178.00 178.59 1rg5 h VAL 137 N 0.77 1.27 -0.27 3.15 2.07 -1.38 -0.71 116.25 121.14 1rg5 h VAL 137 Ca 0.56 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1rg5 h VAL 137 Cb 0.85 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1rg5 h VAL 137 CO -0.37 0.32 -0.07 0.24 0.02 0.00 0.00 177.57 177.70 1rg5 h MET 138 N 0.29 0.43 0.00 1.57 2.86 -1.00 -2.58 114.93 116.51 1rg5 h MET 138 Ca 0.08 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1rg5 h MET 138 Cb 0.48 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1rg5 h MET 138 CO 0.02 0.52 0.00 0.52 1.06 0.00 0.00 176.91 179.03 1rg5 h MET 139 N 0.41 0.00 0.00 1.72 2.86 -1.03 -3.49 114.93 115.40 1rg5 h MET 139 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1rg5 h MET 139 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1rg5 h MET 139 CO 0.02 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.40 1rg5 n GLY 140 N 1.28 0.80 3.56 8.32 0.00 -0.36 -5.07 105.19 113.71 1rg5 n GLY 140 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1rg5 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rg5 s ALA 141 N -2.06 -1.61 0.54 4.61 0.00 -0.68 -3.89 121.76 118.67 1rg5 s ALA 141 Ca 0.00 1.83 0.24 0.00 0.00 0.00 0.00 51.96 54.03 1rg5 s ALA 141 Cb 0.00 -1.06 1.56 0.00 0.00 0.00 0.00 23.12 23.62 1rg5 s ALA 141 CO 0.00 -0.31 2.18 -1.49 0.00 0.00 0.00 175.76 176.15 1rg5 h TRP 142 N 5.10 0.00 -0.00 0.00 4.06 -1.69 -3.10 115.95 120.32 1rg5 h TRP 142 Ca -0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 1rg5 h TRP 142 Cb 1.16 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.32 1rg5 h TRP 142 CO 0.39 0.03 0.05 0.78 -3.56 0.00 0.00 178.44 176.14 1rg5 h GLY 143 N 0.14 0.00 1.58 1.49 0.00 -1.78 -0.89 103.07 103.61 1rg5 h GLY 143 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rg5 h GLY 143 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1rg5 n TYR 144 N -3.09 0.00 -1.77 5.60 4.01 -1.17 -4.85 117.16 115.88 1rg5 n TYR 144 Ca -0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.42 1rg5 n TYR 144 Cb 0.12 -0.29 0.09 0.00 -0.31 0.00 0.00 39.34 38.96 1rg5 n TYR 144 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rg5 s ALA 145 N -2.58 2.43 0.19 -0.72 0.00 -0.34 -4.90 121.76 115.85 1rg5 s ALA 145 Ca 0.22 -0.52 -0.10 0.00 0.00 0.00 0.00 51.96 51.56 1rg5 s ALA 145 Cb 0.16 -3.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.20 1rg5 s ALA 145 CO 0.36 -1.75 0.53 -0.59 0.00 0.00 0.00 175.76 174.31 1rg5 s PHE 146 N -3.42 3.48 0.47 0.00 -0.71 -1.26 -4.87 117.98 111.67 1rg5 s PHE 146 Ca 0.62 0.89 -0.15 0.00 -1.04 0.00 0.00 56.93 57.25 1rg5 s PHE 146 Cb -0.12 -2.26 -0.08 0.00 -1.21 0.00 0.00 43.02 39.35 1rg5 s PHE 146 CO 0.51 0.33 0.90 -1.25 -1.34 0.00 0.00 175.22 174.38 1rg5 s PRO 147 N -2.55 3.91 -0.72 1.99 0.04 -1.26 -4.77 135.00 131.63 1rg5 s PRO 147 Ca 0.44 0.79 -0.18 0.00 0.04 0.00 0.00 61.00 62.09 1rg5 s PRO 147 Cb -0.12 -2.23 0.13 0.00 0.04 0.00 0.00 34.50 32.32 1rg5 s PRO 147 CO 0.21 -0.17 0.82 0.71 0.04 0.00 0.00 177.00 178.60 1rg5 s TYR 148 N -2.50 3.17 -0.12 0.56 2.02 -0.42 -4.31 117.35 115.75 1rg5 s TYR 148 Ca 0.56 -1.26 -0.30 0.00 -0.37 0.00 0.00 57.07 55.71 1rg5 s TYR 148 Cb -0.10 -4.04 0.12 0.00 -0.40 0.00 0.00 41.96 37.53 1rg5 s TYR 148 CO 0.30 -1.29 0.94 0.20 -1.57 0.00 0.00 175.55 174.13 1rg5 s GLY 149 N 3.34 -0.34 0.06 0.71 0.00 -1.26 -1.54 107.32 108.28 1rg5 s GLY 149 Ca 0.18 1.76 -0.23 0.00 0.00 0.00 0.00 44.72 46.43 1rg5 s GLY 149 CO -0.00 0.90 1.56 -2.22 0.00 0.00 0.00 173.10 173.34 1rg5 h ILE 150 N 2.53 1.17 0.05 0.90 1.08 -1.81 -2.65 117.51 118.78 1rg5 h ILE 150 Ca -0.20 -0.52 -0.35 0.00 -0.39 0.00 0.00 64.86 63.40 1rg5 h ILE 150 Cb 1.17 1.41 -0.04 0.00 -3.07 0.00 0.00 36.82 36.29 1rg5 h ILE 150 CO 0.32 0.15 -2.07 0.79 -0.69 0.00 0.00 178.15 176.64 1rg5 n TRP 151 N -4.93 0.78 0.26 1.37 7.02 -1.26 -4.28 117.44 116.39 1rg5 n TRP 151 Ca -0.07 0.20 0.10 0.00 -1.02 0.00 0.00 57.50 56.71 1rg5 n TRP 151 Cb 0.13 -1.12 0.67 0.00 -2.42 0.00 0.00 31.31 28.58 1rg5 n TRP 151 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 1rg5 h THR 152 N 0.03 0.85 -0.01 -0.99 1.35 -1.92 -2.23 112.91 109.99 1rg5 h THR 152 Ca -0.44 -0.33 -0.14 0.00 -0.55 0.00 0.00 66.41 64.95 1rg5 h THR 152 Cb 2.03 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 69.62 1rg5 h THR 152 CO 0.04 0.09 -0.66 1.12 -0.25 0.00 0.00 175.52 175.86 1rg5 h HIS 153 N 0.00 0.05 -0.47 4.73 2.07 -1.65 -2.48 115.15 117.40 1rg5 h HIS 153 Ca -0.00 -0.02 -0.11 0.00 -2.85 0.00 0.00 60.37 57.39 1rg5 h HIS 153 Cb 0.18 -0.01 -0.02 0.00 2.57 0.00 0.00 27.41 30.14 1rg5 h HIS 153 CO 0.00 0.69 -0.15 -0.07 -3.07 0.00 0.00 177.93 175.33 1rg5 h LEU 154 N 0.03 0.91 -0.69 6.12 3.38 -1.61 -2.52 115.31 120.92 1rg5 h LEU 154 Ca -0.01 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.72 1rg5 h LEU 154 Cb 1.17 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1rg5 h LEU 154 CO 0.09 1.05 0.38 -0.78 0.09 0.00 0.00 178.44 179.27 1rg5 h ASP 155 N 0.80 0.55 -0.65 -0.43 3.58 -1.26 -1.07 116.42 117.95 1rg5 h ASP 155 Ca 0.12 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 1rg5 h ASP 155 Cb 0.68 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 1rg5 h ASP 155 CO 0.05 0.35 0.30 -0.25 -2.88 0.00 0.00 179.24 176.80 1rg5 h TRP 156 N 0.69 0.97 -0.42 0.28 7.01 -1.26 -0.70 115.95 122.51 1rg5 h TRP 156 Ca 0.32 -0.05 -0.06 0.00 2.11 0.00 0.00 58.89 61.21 1rg5 h TRP 156 Cb 0.23 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 1rg5 h TRP 156 CO -0.08 0.73 0.02 0.28 -2.79 0.00 0.00 178.44 176.59 1rg5 h VAL 157 N 0.96 1.26 -0.01 2.65 2.07 -0.96 -0.83 116.25 121.38 1rg5 h VAL 157 Ca 0.23 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1rg5 h VAL 157 Cb 0.14 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1rg5 h VAL 157 CO -0.03 0.34 -0.00 -1.28 0.02 0.00 0.00 177.57 176.62 1rg5 h SER 158 N 0.58 0.02 -0.45 0.57 0.87 -1.03 -1.90 113.55 112.20 1rg5 h SER 158 Ca 0.12 -0.32 -0.06 0.00 -1.23 0.00 0.00 61.79 60.30 1rg5 h SER 158 Cb 0.46 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1rg5 h SER 158 CO 0.02 0.34 0.06 0.78 -0.53 0.00 0.00 176.83 177.49 1rg5 h ASN 159 N -0.29 0.79 -0.32 6.23 2.35 -1.14 -2.09 115.58 121.11 1rg5 h ASN 159 Ca 0.00 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 1rg5 h ASN 159 Cb 0.33 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1rg5 h ASN 159 CO 0.00 0.82 -0.05 0.74 -1.65 0.00 0.00 177.43 177.29 1rg5 h THR 160 N 0.79 1.27 0.38 2.81 2.02 -1.15 -2.50 112.91 116.54 1rg5 h THR 160 Ca 0.16 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1rg5 h THR 160 Cb 0.39 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1rg5 h THR 160 CO 0.01 0.34 -0.22 1.23 0.37 0.00 0.00 175.52 177.25 1rg5 h GLY 161 N 0.38 -0.60 2.00 2.16 0.00 -1.30 -3.05 103.07 102.66 1rg5 h GLY 161 Ca 0.08 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1rg5 h GLY 161 CO 0.03 -0.23 0.00 -1.72 0.00 0.00 0.00 176.54 174.62 1rg5 n TYR 162 N -5.35 0.65 0.24 5.60 4.01 -0.79 -1.68 117.16 119.83 1rg5 n TYR 162 Ca -0.10 0.26 0.17 0.00 -0.16 0.00 0.00 57.90 58.07 1rg5 n TYR 162 Cb 0.26 -0.93 0.87 0.00 -0.31 0.00 0.00 39.34 39.23 1rg5 n TYR 162 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1rg5 h THR 163 N 0.00 0.45 -0.13 -0.72 2.02 -1.33 -2.81 112.91 110.39 1rg5 h THR 163 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1rg5 h THR 163 Cb 0.29 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1rg5 h THR 163 CO 0.00 0.00 -0.28 -1.22 0.37 0.00 0.00 175.52 174.39 1rg5 n TYR 164 N -3.75 0.42 -4.05 3.16 4.01 -0.68 -4.86 117.16 111.41 1rg5 n TYR 164 Ca 0.00 -1.45 0.00 0.00 -0.16 0.00 0.00 57.90 56.29 1rg5 n TYR 164 Cb 0.25 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 1rg5 n TYR 164 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rg5 n GLY 165 N -1.13 0.26 3.62 2.72 0.00 -1.06 -2.00 105.19 107.59 1rg5 n GLY 165 Ca 0.24 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1rg5 n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rg5 s ASN 166 N -4.00 6.66 0.39 1.61 3.84 -1.26 -3.92 114.94 118.26 1rg5 s ASN 166 Ca 0.00 0.83 0.28 0.00 0.21 0.00 0.00 52.86 54.19 1rg5 s ASN 166 Cb 0.00 -2.54 1.26 0.00 -0.55 0.00 0.00 41.25 39.41 1rg5 s ASN 166 CO 0.00 -1.16 1.85 0.15 -2.79 0.00 0.00 177.10 175.15 1rg5 h PHE 167 N 9.24 0.00 -1.03 0.43 3.57 -1.81 -2.75 116.94 124.60 1rg5 h PHE 167 Ca -0.24 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.56 1rg5 h PHE 167 Cb 1.08 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 1rg5 h PHE 167 CO 0.92 0.00 0.79 0.45 -2.23 0.00 0.00 178.31 178.24 1rg5 h HIS 168 N 0.00 0.00 -0.00 0.41 3.86 -1.96 -2.16 115.15 115.30 1rg5 h HIS 168 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1rg5 h HIS 168 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1rg5 h HIS 168 CO 0.00 0.00 -0.03 0.66 0.86 0.00 0.00 177.93 179.42 1rg5 n TYR 169 N -4.07 0.00 -1.95 2.45 4.02 -1.04 -4.63 117.16 111.93 1rg5 n TYR 169 Ca 0.22 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.68 1rg5 n TYR 169 Cb 1.13 -0.24 -0.03 0.00 -0.02 0.00 0.00 39.34 40.19 1rg5 n TYR 169 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1rg5 s ASN 170 N -2.50 6.36 0.39 7.72 3.84 -0.81 -4.73 114.94 125.21 1rg5 s ASN 170 Ca 0.30 1.99 0.14 0.00 0.21 0.00 0.00 52.86 55.50 1rg5 s ASN 170 Cb 0.20 -2.53 0.81 0.00 -0.55 0.00 0.00 41.25 39.19 1rg5 s ASN 170 CO 0.46 -1.22 1.87 1.55 -2.79 0.00 0.00 177.10 176.97 1rg5 h PRO 171 N 10.90 0.00 0.00 0.43 0.13 -1.91 -2.17 132.00 139.38 1rg5 h PRO 171 Ca -0.39 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.63 1rg5 h PRO 171 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1rg5 h PRO 171 CO 0.97 0.32 -0.52 0.00 -0.23 0.00 0.00 178.00 178.54 1rg5 h ALA 172 N 1.68 0.96 -0.14 -0.56 0.00 -1.92 -2.92 119.26 116.36 1rg5 h ALA 172 Ca -0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 1rg5 h ALA 172 Cb 0.58 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1rg5 h ALA 172 CO 0.04 0.65 -0.68 1.25 0.00 0.00 0.00 179.25 180.51 1rg5 h HIS 173 N 0.00 0.76 -0.66 0.00 6.17 -1.68 -2.31 115.15 117.42 1rg5 h HIS 173 Ca -0.01 -0.31 -0.00 0.00 0.71 0.00 0.00 60.37 60.76 1rg5 h HIS 173 Cb 1.04 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 30.81 1rg5 h HIS 173 CO 0.00 1.09 0.40 0.52 0.71 0.00 0.00 177.93 180.65 1rg5 h MET 174 N 0.41 0.89 -0.15 5.26 2.86 -1.27 -2.23 114.93 120.71 1rg5 h MET 174 Ca -0.02 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1rg5 h MET 174 Cb 1.27 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 1rg5 h MET 174 CO 0.13 0.63 -0.06 0.82 1.06 0.00 0.00 176.91 179.49 1rg5 h ILE 175 N 0.89 1.30 -0.72 -1.22 2.04 -1.48 -2.75 117.51 115.57 1rg5 h ILE 175 Ca 0.24 -1.06 0.13 0.00 1.00 0.00 0.00 64.86 65.16 1rg5 h ILE 175 Cb -0.03 1.69 -0.09 0.00 -0.74 0.00 0.00 36.82 37.65 1rg5 h ILE 175 CO -0.04 0.31 0.28 0.00 0.00 0.00 0.00 178.15 178.70 1rg5 h ALA 176 N 0.69 0.99 -0.65 1.87 0.00 -1.36 -2.13 119.26 118.66 1rg5 h ALA 176 Ca 0.04 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1rg5 h ALA 176 Cb 0.51 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1rg5 h ALA 176 CO 0.02 -0.20 0.33 0.82 0.00 0.00 0.00 179.25 180.22 1rg5 h ILE 177 N 0.44 1.21 -0.62 0.00 2.04 -1.36 -2.26 117.51 116.97 1rg5 h ILE 177 Ca 0.39 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.73 1rg5 h ILE 177 Cb 0.56 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1rg5 h ILE 177 CO -0.38 0.24 0.33 0.28 0.00 0.00 0.00 178.15 178.62 1rg5 h SER 178 N 0.89 0.48 -0.37 1.72 0.02 -1.09 -0.65 113.55 114.56 1rg5 h SER 178 Ca 0.23 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1rg5 h SER 178 Cb 0.08 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1rg5 h SER 178 CO -0.03 0.32 0.16 -0.26 -1.14 0.00 0.00 176.83 175.87 1rg5 h PHE 179 N 0.62 0.55 -0.24 3.45 0.04 -1.34 -0.04 116.94 119.98 1rg5 h PHE 179 Ca 0.28 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 61.04 1rg5 h PHE 179 Cb 0.18 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 1rg5 h PHE 179 CO -0.09 0.49 0.05 0.74 -0.60 0.00 0.00 178.31 178.90 1rg5 h PHE 180 N 0.45 0.08 -0.65 -0.55 0.04 -0.90 -0.11 116.94 115.30 1rg5 h PHE 180 Ca 0.12 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.82 1rg5 h PHE 180 Cb 0.17 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1rg5 h PHE 180 CO -0.01 0.02 0.06 0.74 -0.60 0.00 0.00 178.31 178.53 1rg5 h PHE 181 N 0.14 1.18 -0.29 -0.55 0.04 -1.12 -2.65 116.94 113.69 1rg5 h PHE 181 Ca 0.11 -0.18 -0.12 0.00 2.80 0.00 0.00 57.97 60.58 1rg5 h PHE 181 Cb 0.11 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 1rg5 h PHE 181 CO -0.16 1.00 -0.33 1.15 -0.60 0.00 0.00 178.31 179.38 1rg5 h THR 182 N 1.02 1.29 -0.59 -1.55 2.02 -0.75 -2.33 112.91 112.00 1rg5 h THR 182 Ca 0.19 -1.46 -0.06 0.00 0.77 0.00 0.00 66.41 65.85 1rg5 h THR 182 Cb 0.49 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1rg5 h THR 182 CO 0.02 0.47 0.13 -1.13 0.37 0.00 0.00 175.52 175.38 1rg5 h ASN 183 N 0.53 0.91 -0.46 4.18 -0.73 -0.95 -1.71 115.58 117.35 1rg5 h ASN 183 Ca 0.06 -0.24 -0.09 0.00 1.87 0.00 0.00 56.30 57.89 1rg5 h ASN 183 Cb 0.83 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 39.16 1rg5 h ASN 183 CO 0.07 0.92 -0.05 0.00 -0.37 0.00 0.00 177.43 178.00 1rg5 h ALA 184 N 1.02 0.94 0.10 1.57 0.00 -1.39 -1.77 119.26 119.74 1rg5 h ALA 184 Ca 0.18 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1rg5 h ALA 184 Cb 0.38 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1rg5 h ALA 184 CO 0.01 0.63 -0.23 1.25 0.00 0.00 0.00 179.25 180.90 1rg5 h LEU 185 N 0.83 -0.66 -0.79 0.00 6.46 -1.09 -2.41 115.31 117.64 1rg5 h LEU 185 Ca 0.15 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 58.00 1rg5 h LEU 185 Cb 0.56 0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 1rg5 h LEU 185 CO 0.03 -0.32 0.52 0.00 -0.62 0.00 0.00 178.44 178.06 1rg5 h ALA 186 N 0.36 1.01 -0.76 1.25 0.00 -1.30 -1.76 119.26 118.07 1rg5 h ALA 186 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1rg5 h ALA 186 Cb 0.45 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1rg5 h ALA 186 CO -0.14 0.40 0.38 1.25 0.00 0.00 0.00 179.25 181.13 1rg5 h LEU 187 N 1.06 0.98 -0.53 0.00 5.85 -1.30 -0.32 115.31 121.05 1rg5 h LEU 187 Ca 0.29 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1rg5 h LEU 187 Cb -0.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 1rg5 h LEU 187 CO -0.07 0.82 0.24 0.00 -0.34 0.00 0.00 178.44 179.09 1rg5 h ALA 188 N 1.19 0.68 -0.37 1.25 0.00 -1.16 -2.66 119.26 118.19 1rg5 h ALA 188 Ca 0.26 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1rg5 h ALA 188 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1rg5 h ALA 188 CO -0.04 0.26 0.01 -0.07 0.00 0.00 0.00 179.25 179.41 1rg5 h LEU 189 N 0.71 0.63 -0.13 0.00 3.38 -1.16 -1.91 115.31 116.84 1rg5 h LEU 189 Ca 0.18 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1rg5 h LEU 189 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1rg5 h LEU 189 CO -0.02 0.78 0.07 -0.74 0.09 0.00 0.00 178.44 178.62 1rg5 h HIS 190 N 0.47 0.17 -0.58 1.13 2.76 -1.04 -0.21 115.15 117.84 1rg5 h HIS 190 Ca 0.11 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1rg5 h HIS 190 Cb 0.45 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 1rg5 h HIS 190 CO 0.04 0.18 0.21 0.78 -1.30 0.00 0.00 177.93 177.84 1rg5 h GLY 191 N 0.11 0.95 1.03 5.26 0.00 -1.50 -2.51 103.07 106.42 1rg5 h GLY 191 Ca 0.04 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1rg5 h GLY 191 CO -0.01 0.50 0.36 0.00 0.00 0.00 0.00 176.54 177.39 1rg5 h ALA 192 N 1.07 1.02 0.27 3.60 0.00 -1.20 -2.40 119.26 121.62 1rg5 h ALA 192 Ca 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1rg5 h ALA 192 Cb 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1rg5 h ALA 192 CO -0.01 0.61 -0.13 1.25 0.00 0.00 0.00 179.25 180.96 1rg5 h LEU 193 N 1.13 -0.31 -0.62 0.00 5.85 -0.79 -0.52 115.31 120.05 1rg5 h LEU 193 Ca 0.27 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1rg5 h LEU 193 Cb 0.16 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1rg5 h LEU 193 CO -0.03 0.08 0.31 0.58 -0.34 0.00 0.00 178.44 179.04 1rg5 h VAL 194 N -0.76 0.90 -0.30 1.05 2.07 -1.52 -2.21 116.25 115.48 1rg5 h VAL 194 Ca -0.04 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 1rg5 h VAL 194 Cb 0.50 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1rg5 h VAL 194 CO 0.06 0.10 -0.10 -0.07 0.02 0.00 0.00 177.57 177.58 1rg5 h LEU 195 N 0.56 0.47 -1.27 2.57 3.38 -1.35 -1.05 115.31 118.62 1rg5 h LEU 195 Ca 0.29 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1rg5 h LEU 195 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1rg5 h LEU 195 CO -0.22 0.62 -0.17 0.77 0.09 0.00 0.00 178.44 179.53 1rg5 h SER 196 N 0.46 0.00 0.30 -0.43 4.64 -0.50 -1.42 113.55 116.60 1rg5 h SER 196 Ca 0.09 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.08 1rg5 h SER 196 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1rg5 h SER 196 CO 0.03 0.17 -1.75 0.00 -0.87 0.00 0.00 176.83 174.41 1rg5 h ALA 197 N 1.83 0.36 0.00 5.18 0.00 -0.97 -3.33 119.26 122.33 1rg5 h ALA 197 Ca -0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 54.91 53.64 1rg5 h ALA 197 Cb 0.66 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1rg5 h ALA 197 CO 0.02 1.23 -0.07 0.00 0.00 0.00 0.00 179.25 180.43 1rg5 h ALA 198 N 0.35 0.98 -2.20 0.00 0.00 -1.12 -2.22 119.26 115.05 1rg5 h ALA 198 Ca -0.33 -0.06 -0.58 0.00 0.00 0.00 0.00 54.91 53.94 1rg5 h ALA 198 Cb 2.04 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 19.42 1rg5 h ALA 198 CO 0.13 0.09 -0.91 0.09 0.00 0.00 0.00 179.25 178.65 1rg5 n ASN 199 N -3.14 1.26 -2.98 0.00 3.02 -0.54 -4.85 115.26 108.02 1rg5 n ASN 199 Ca 0.02 -2.89 -0.14 0.00 -0.03 0.00 0.00 54.58 51.54 1rg5 n ASN 199 Cb 0.45 -0.64 0.11 0.00 -0.61 0.00 0.00 39.78 39.09 1rg5 n ASN 199 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1rg5 n PRO 200 N 1.53 -1.67 -1.63 3.52 -0.04 -1.25 -4.70 135.00 130.76 1rg5 n PRO 200 Ca 0.25 -0.87 -0.41 0.00 -0.04 0.00 0.00 63.50 62.43 1rg5 n PRO 200 Cb 0.48 -0.75 0.01 0.00 -0.04 0.00 0.00 33.50 33.20 1rg5 n PRO 200 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1rg5 n GLU 201 N -2.90 1.44 -1.65 0.54 1.02 -1.26 -4.84 120.64 112.98 1rg5 n GLU 201 Ca 0.07 0.52 -0.55 0.00 -0.02 0.00 0.00 57.16 57.18 1rg5 n GLU 201 Cb 0.28 -2.12 -0.07 0.00 -0.02 0.00 0.00 31.44 29.51 1rg5 n GLU 201 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1rg5 n LYS 202 N 0.04 1.17 -0.02 3.49 5.02 -1.26 -1.97 118.16 124.62 1rg5 n LYS 202 Ca 0.09 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1rg5 n LYS 202 Cb 0.40 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 1rg5 n LYS 202 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rg5 n GLY 203 N 3.41 1.07 3.93 0.72 0.00 -1.26 -5.06 105.19 108.00 1rg5 n GLY 203 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1rg5 n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rg5 s LYS 204 N -0.63 3.52 0.58 1.61 1.02 -0.83 -5.08 119.74 119.92 1rg5 s LYS 204 Ca 0.00 -0.11 -0.18 0.00 0.02 0.00 0.00 55.97 55.70 1rg5 s LYS 204 Cb 0.00 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1rg5 s LYS 204 CO 0.00 0.03 1.13 -1.21 -0.92 0.00 0.00 175.35 174.39 1rg5 s GLU 205 N -4.37 3.17 0.33 1.68 2.02 -1.26 -4.85 118.70 115.41 1rg5 s GLU 205 Ca 0.43 1.58 -0.27 0.00 0.02 0.00 0.00 54.97 56.73 1rg5 s GLU 205 Cb -0.10 -1.98 -0.13 0.00 0.10 0.00 0.00 34.13 32.02 1rg5 s GLU 205 CO 0.38 -0.99 1.02 -1.33 0.02 0.00 0.00 175.26 174.36 1rg5 n MET 206 N -1.61 1.41 -1.99 1.61 2.81 -1.26 -4.81 117.12 113.28 1rg5 n MET 206 Ca 0.12 0.50 -0.29 0.00 -1.81 0.00 0.00 57.70 56.21 1rg5 n MET 206 Cb 0.51 -1.92 0.16 0.00 -0.71 0.00 0.00 33.22 31.26 1rg5 n MET 206 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1rg5 s ARG 207 N -1.68 0.95 0.30 0.03 3.00 -0.83 -5.07 118.95 115.64 1rg5 s ARG 207 Ca 0.59 -0.40 0.11 0.00 0.00 0.00 0.00 55.73 56.03 1rg5 s ARG 207 Cb -0.65 -1.91 -0.05 0.00 0.00 0.00 0.00 34.95 32.33 1rg5 s ARG 207 CO 0.60 -2.19 -0.13 0.95 0.00 0.00 0.00 175.30 174.53 1rg5 s THR 208 N -3.77 2.52 0.51 0.02 -4.23 -1.26 -4.85 115.64 104.58 1rg5 s THR 208 Ca 0.71 -2.26 0.25 0.00 -1.18 0.00 0.00 61.69 59.22 1rg5 s THR 208 Cb -0.05 -2.50 0.42 0.00 1.34 0.00 0.00 72.50 71.71 1rg5 s THR 208 CO 0.51 -0.32 1.94 1.55 -0.54 0.00 0.00 174.62 177.76 1rg5 h PRO 209 N 2.12 0.09 -0.90 3.99 0.13 -2.00 -0.50 132.00 134.93 1rg5 h PRO 209 Ca -0.41 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 64.80 1rg5 h PRO 209 Cb 1.26 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1rg5 h PRO 209 CO 0.64 0.06 0.58 -0.44 -0.23 0.00 0.00 178.00 178.61 1rg5 h ASP 210 N 0.09 0.85 -0.31 1.44 5.19 -1.99 -0.65 116.42 121.03 1rg5 h ASP 210 Ca 0.34 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.70 1rg5 h ASP 210 Cb 1.23 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 1rg5 h ASP 210 CO -0.04 0.51 -0.05 0.45 -3.12 0.00 0.00 179.24 177.00 1rg5 h HIS 211 N 0.94 0.75 -0.28 4.55 3.86 -1.48 -1.54 115.15 121.95 1rg5 h HIS 211 Ca 0.41 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.46 1rg5 h HIS 211 Cb 0.33 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1rg5 h HIS 211 CO -0.00 0.73 -0.01 0.93 0.86 0.00 0.00 177.93 180.44 1rg5 h GLU 212 N 0.65 0.49 -0.63 2.45 5.08 -1.01 -0.69 114.58 120.92 1rg5 h GLU 212 Ca 0.12 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1rg5 h GLU 212 Cb 0.48 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1rg5 h GLU 212 CO 0.02 0.66 0.20 -0.44 -1.00 0.00 0.00 179.01 178.45 1rg5 h ASP 213 N 0.27 0.91 -0.62 1.42 3.45 -1.24 -2.93 116.42 117.68 1rg5 h ASP 213 Ca 0.08 -0.20 -0.02 0.00 0.43 0.00 0.00 57.03 57.31 1rg5 h ASP 213 Cb 0.44 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.94 1rg5 h ASP 213 CO 0.02 0.87 0.30 0.74 -1.57 0.00 0.00 179.24 179.60 1rg5 h THR 214 N 0.90 1.21 -0.36 0.35 2.02 -1.16 -2.03 112.91 113.84 1rg5 h THR 214 Ca 0.20 -0.60 0.05 0.00 0.77 0.00 0.00 66.41 66.83 1rg5 h THR 214 Cb 0.28 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 1rg5 h THR 214 CO -0.01 0.25 0.08 0.15 0.37 0.00 0.00 175.52 176.36 1rg5 h PHE 215 N 0.85 0.13 -0.02 3.16 3.57 -1.02 -0.97 116.94 122.64 1rg5 h PHE 215 Ca 0.21 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.59 1rg5 h PHE 215 Cb 0.11 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1rg5 h PHE 215 CO 0.00 0.03 -0.64 0.74 -2.23 0.00 0.00 178.31 176.21 1rg5 h PHE 216 N 0.20 0.10 -0.18 0.41 -1.00 -1.37 -2.08 116.94 113.03 1rg5 h PHE 216 Ca 0.17 -0.04 -0.12 0.00 2.81 0.00 0.00 57.97 60.79 1rg5 h PHE 216 Cb 0.19 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1rg5 h PHE 216 CO -0.18 0.70 -0.34 0.00 -1.61 0.00 0.00 178.31 176.88 1rg5 h ARG 217 N 0.05 0.55 -0.68 1.51 3.08 -1.06 -0.03 114.38 117.81 1rg5 h ARG 217 Ca -0.01 -0.35 0.08 0.00 0.07 0.00 0.00 59.98 59.77 1rg5 h ARG 217 Cb 1.15 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.18 1rg5 h ARG 217 CO 0.09 0.96 0.35 -0.44 -1.07 0.00 0.00 179.97 179.86 1rg5 h ASP 218 N 0.20 0.49 0.16 7.04 3.32 -1.19 0.12 116.42 126.56 1rg5 h ASP 218 Ca 0.01 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1rg5 h ASP 218 Cb 0.93 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1rg5 h ASP 218 CO 0.08 0.30 -0.08 0.25 -1.72 0.00 0.00 179.24 178.07 1rg5 h LEU 219 N 0.63 -0.18 -2.38 1.55 5.85 -1.27 -3.41 115.31 116.10 1rg5 h LEU 219 Ca 0.32 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1rg5 h LEU 219 Cb 0.27 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1rg5 h LEU 219 CO -0.23 0.34 -0.00 1.33 -0.34 0.00 0.00 178.44 179.54 1rg5 n VAL 220 N -4.94 0.69 -0.94 1.05 0.24 -0.03 -5.00 118.33 109.39 1rg5 n VAL 220 Ca -0.08 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 1rg5 n VAL 220 Cb 0.27 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 1rg5 n VAL 220 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rg5 n GLY 221 N -0.35 0.62 3.31 7.63 0.00 0.40 -4.99 105.19 111.82 1rg5 n GLY 221 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1rg5 n GLY 221 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rg5 s TYR 222 N -2.69 -0.41 -0.06 1.61 5.04 -1.25 -4.88 117.35 114.71 1rg5 s TYR 222 Ca 0.00 0.93 0.02 0.00 -2.44 0.00 0.00 57.07 55.58 1rg5 s TYR 222 Cb 0.00 0.16 0.01 0.00 0.35 0.00 0.00 41.96 42.48 1rg5 s TYR 222 CO 0.00 -0.29 -0.12 0.45 -1.34 0.00 0.00 175.55 174.26 1rg5 s SER 223 N -0.23 1.72 0.32 4.32 0.15 -1.26 -4.09 113.70 114.63 1rg5 s SER 223 Ca -0.04 -0.29 0.24 0.00 0.70 0.00 0.00 55.95 56.56 1rg5 s SER 223 Cb -0.03 -0.79 0.37 0.00 -1.71 0.00 0.00 66.02 63.86 1rg5 s SER 223 CO 0.02 0.03 1.51 -0.29 1.20 0.00 0.00 173.24 175.71 1rg5 h ILE 224 N 5.95 0.00 0.00 6.45 2.10 -1.98 -3.50 117.51 126.53 1rg5 h ILE 224 Ca -0.31 -0.85 0.00 0.00 1.08 0.00 0.00 64.86 64.78 1rg5 h ILE 224 Cb 1.18 1.71 0.00 0.00 -1.09 0.00 0.00 36.82 38.63 1rg5 h ILE 224 CO 0.47 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.15 1rg5 n GLY 225 N 1.18 -0.60 0.13 8.18 0.00 -1.26 -4.11 105.19 108.71 1rg5 n GLY 225 Ca 0.04 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 1rg5 n GLY 225 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rg5 h THR 226 N 0.00 1.48 -0.09 2.61 1.35 -1.98 -1.82 112.91 114.47 1rg5 h THR 226 Ca 0.00 -2.56 -0.15 0.00 -0.55 0.00 0.00 66.41 63.15 1rg5 h THR 226 Cb 0.00 2.42 0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1rg5 h THR 226 CO 0.00 0.75 -0.54 0.25 -0.25 0.00 0.00 175.52 175.73 1rg5 h LEU 227 N 0.12 0.62 -1.04 3.87 5.85 -2.02 -3.36 115.31 119.35 1rg5 h LEU 227 Ca -0.04 -0.66 0.08 0.00 0.84 0.00 0.00 57.88 58.09 1rg5 h LEU 227 Cb 1.47 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 1rg5 h LEU 227 CO 0.13 1.19 0.64 1.23 -0.34 0.00 0.00 178.44 181.28 1rg5 h GLY 228 N 0.10 1.51 2.00 3.75 0.00 -1.66 -2.56 103.07 106.22 1rg5 h GLY 228 Ca -0.04 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 1rg5 h GLY 228 CO 0.11 0.30 -0.39 1.19 0.00 0.00 0.00 176.54 177.75 1rg5 h ILE 229 N 1.12 1.09 0.15 2.60 6.09 -1.47 -0.23 117.51 126.84 1rg5 h ILE 229 Ca 0.44 -1.43 -0.30 0.00 -1.37 0.00 0.00 64.86 62.20 1rg5 h ILE 229 Cb 0.24 1.81 0.03 0.00 0.47 0.00 0.00 36.82 39.37 1rg5 h ILE 229 CO -0.18 0.38 -1.29 0.45 -3.07 0.00 0.00 178.15 174.44 1rg5 h HIS 230 N 0.00 0.95 -0.37 2.19 3.86 -1.61 -2.35 115.15 117.82 1rg5 h HIS 230 Ca -0.00 -0.62 0.03 0.00 -1.16 0.00 0.00 60.37 58.62 1rg5 h HIS 230 Cb 0.78 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.15 1rg5 h HIS 230 CO 0.00 1.47 0.17 0.00 0.86 0.00 0.00 177.93 180.42 1rg5 h ARG 231 N 0.23 0.34 -0.17 2.45 3.08 -1.35 -2.80 114.38 116.15 1rg5 h ARG 231 Ca -0.19 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1rg5 h ARG 231 Cb 1.96 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.93 1rg5 h ARG 231 CO 0.24 0.22 0.11 1.25 -1.07 0.00 0.00 179.97 180.72 1rg5 h LEU 232 N 0.35 0.18 -0.99 3.04 5.85 -1.04 -2.21 115.31 120.49 1rg5 h LEU 232 Ca 0.16 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1rg5 h LEU 232 Cb 0.09 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1rg5 h LEU 232 CO -0.13 0.13 0.24 1.23 -0.34 0.00 0.00 178.44 179.58 1rg5 h GLY 233 N 0.22 1.04 0.98 3.75 0.00 -1.43 0.21 103.07 107.85 1rg5 h GLY 233 Ca 0.07 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1rg5 h GLY 233 CO -0.02 0.53 0.25 -2.00 0.00 0.00 0.00 176.54 175.30 1rg5 h LEU 234 N 0.95 0.69 -0.22 3.11 5.85 -1.34 -2.81 115.31 121.54 1rg5 h LEU 234 Ca 0.22 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 1rg5 h LEU 234 Cb 0.22 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1rg5 h LEU 234 CO -0.02 0.63 -0.28 0.25 -0.34 0.00 0.00 178.44 178.69 1rg5 h LEU 235 N 0.70 0.62 -0.43 2.25 5.85 -0.75 -2.09 115.31 121.47 1rg5 h LEU 235 Ca 0.18 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.42 1rg5 h LEU 235 Cb 0.12 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1rg5 h LEU 235 CO -0.02 1.00 0.26 -0.07 -0.34 0.00 0.00 178.44 179.26 1rg5 h LEU 236 N 0.26 0.42 -0.41 2.25 3.38 -1.02 -1.88 115.31 118.32 1rg5 h LEU 236 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1rg5 h LEU 236 Cb 0.85 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1rg5 h LEU 236 CO 0.07 0.30 0.08 0.77 0.09 0.00 0.00 178.44 179.75 1rg5 h SER 237 N 0.52 0.64 0.48 -0.43 4.64 -1.51 -1.11 113.55 116.79 1rg5 h SER 237 Ca 0.17 -0.25 -0.14 0.00 -0.47 0.00 0.00 61.79 61.10 1rg5 h SER 237 Cb -0.00 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1rg5 h SER 237 CO -0.07 0.73 -0.61 -0.07 -0.87 0.00 0.00 176.83 175.94 1rg5 h LEU 238 N 0.53 0.14 -0.35 5.97 3.38 -1.38 -3.10 115.31 120.50 1rg5 h LEU 238 Ca 0.13 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1rg5 h LEU 238 Cb 0.35 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1rg5 h LEU 238 CO 0.01 0.72 -0.39 0.28 0.09 0.00 0.00 178.44 179.15 1rg5 h SER 239 N 0.09 0.95 -0.45 -0.43 0.02 -1.08 -0.10 113.55 112.56 1rg5 h SER 239 Ca -0.01 -0.48 0.08 0.00 -0.84 0.00 0.00 61.79 60.55 1rg5 h SER 239 Cb 1.10 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 63.30 1rg5 h SER 239 CO 0.09 1.24 0.00 0.00 -1.14 0.00 0.00 176.83 177.02 1rg5 h ALA 240 N 0.74 0.42 -0.08 3.77 0.00 -1.22 -0.94 119.26 121.95 1rg5 h ALA 240 Ca 0.05 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1rg5 h ALA 240 Cb 0.98 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1rg5 h ALA 240 CO 0.09 -0.39 -0.58 0.28 0.00 0.00 0.00 179.25 178.66 1rg5 h VAL 241 N 0.11 1.37 -0.27 0.00 2.07 -1.46 -2.11 116.25 115.98 1rg5 h VAL 241 Ca 0.22 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 65.80 1rg5 h VAL 241 Cb 0.33 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1rg5 h VAL 241 CO -0.37 0.57 0.07 0.15 0.02 0.00 0.00 177.57 178.01 1rg5 h PHE 242 N 0.20 0.44 0.00 1.57 3.57 -0.37 -2.24 116.94 120.11 1rg5 h PHE 242 Ca -0.00 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 1rg5 h PHE 242 Cb 1.07 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1rg5 h PHE 242 CO 0.02 0.49 -0.38 0.74 -2.23 0.00 0.00 178.31 176.96 1rg5 h PHE 243 N 0.26 0.00 0.23 0.41 0.04 -1.20 -1.67 116.94 115.02 1rg5 h PHE 243 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1rg5 h PHE 243 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1rg5 h PHE 243 CO 0.01 0.38 -0.11 0.77 -0.60 0.00 0.00 178.31 178.76 1rg5 h SER 244 N 0.00 -0.27 -0.87 2.17 0.02 -1.24 -0.58 113.55 112.79 1rg5 h SER 244 Ca -0.00 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1rg5 h SER 244 Cb 0.89 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.44 1rg5 h SER 244 CO 0.05 -0.05 0.54 0.00 -1.14 0.00 0.00 176.83 176.23 1rg5 h ALA 245 N 0.25 1.18 -0.64 3.77 0.00 -1.23 -2.70 119.26 119.89 1rg5 h ALA 245 Ca -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1rg5 h ALA 245 Cb 0.36 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1rg5 h ALA 245 CO 0.05 0.31 0.15 1.25 0.00 0.00 0.00 179.25 181.01 1rg5 h LEU 246 N 1.00 0.99 -1.63 0.00 5.85 -1.21 -1.14 115.31 119.17 1rg5 h LEU 246 Ca 0.37 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1rg5 h LEU 246 Cb 0.14 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1rg5 h LEU 246 CO -0.16 0.97 -0.20 0.00 -0.34 0.00 0.00 178.44 178.71 1rg5 h MET 248 N 0.00 0.07 0.00 0.00 2.86 -1.38 -3.35 114.93 113.13 1rg5 h MET 248 Ca -0.00 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1rg5 h MET 248 Cb 0.45 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 1rg5 h MET 248 CO 0.03 0.70 -0.14 0.97 1.06 0.00 0.00 176.91 179.53 1rg5 h ILE 249 N 0.02 0.77 0.00 -1.22 6.09 -0.94 -2.63 117.51 119.60 1rg5 h ILE 249 Ca -0.29 -0.55 0.00 0.00 -1.37 0.00 0.00 64.86 62.65 1rg5 h ILE 249 Cb 2.01 1.33 0.00 0.00 0.47 0.00 0.00 36.82 40.62 1rg5 h ILE 249 CO 0.09 0.14 -0.50 2.30 -3.07 0.00 0.00 178.15 177.10 1rg5 n ILE 250 N -3.90 0.16 -3.17 2.19 -5.35 -1.13 -4.62 119.36 103.54 1rg5 n ILE 250 Ca -0.02 -0.12 -0.41 0.00 -0.27 0.00 0.00 62.75 61.93 1rg5 n ILE 250 Cb 0.23 0.01 -0.07 0.00 -1.74 0.00 0.00 39.64 38.07 1rg5 n ILE 250 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1rg5 s THR 251 N -3.07 5.00 0.00 7.28 2.01 -0.99 -1.92 115.64 123.95 1rg5 s THR 251 Ca 0.09 0.88 0.00 0.00 0.31 0.00 0.00 61.69 62.97 1rg5 s THR 251 Cb 0.16 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1rg5 s THR 251 CO 0.69 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.20 1rg5 n GLY 252 N 4.40 0.73 0.32 4.40 0.00 0.80 -4.91 105.19 110.92 1rg5 n GLY 252 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1rg5 n GLY 252 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rg5 n THR 253 N -2.00 0.00 0.08 2.61 -2.24 -1.23 -4.84 114.28 106.66 1rg5 n THR 253 Ca 0.00 0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1rg5 n THR 253 Cb 0.00 -0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 67.41 1rg5 n THR 253 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1rg5 h ILE 254 N 0.00 1.63 -3.23 2.28 3.07 -1.81 -3.44 117.51 116.00 1rg5 h ILE 254 Ca 0.00 -3.23 -0.60 0.00 1.55 0.00 0.00 64.86 62.57 1rg5 h ILE 254 Cb 0.00 2.85 -0.35 0.00 -0.27 0.00 0.00 36.82 39.05 1rg5 h ILE 254 CO 0.00 0.93 -0.84 0.86 -1.05 0.00 0.00 178.15 178.05 1rg5 s TRP 255 N -2.74 2.13 0.00 0.16 -0.11 -0.81 -5.00 118.94 112.57 1rg5 s TRP 255 Ca -0.01 -1.05 0.00 0.00 1.22 0.00 0.00 56.10 56.26 1rg5 s TRP 255 Cb 0.09 -1.52 0.00 0.00 -1.50 0.00 0.00 33.47 30.54 1rg5 s TRP 255 CO 0.84 -0.54 0.54 1.97 -4.62 0.00 0.00 176.95 175.15 1rg5 n PHE 256 N 4.28 0.00 -2.36 5.86 1.16 -1.26 -0.14 117.46 125.00 1rg5 n PHE 256 Ca -0.19 -0.11 0.00 0.00 -1.87 0.00 0.00 57.45 55.28 1rg5 n PHE 256 Cb 0.51 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 1rg5 n PHE 256 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1rg5 n ASP 257 N -0.11 0.00 -4.71 5.98 8.00 -1.26 -4.95 116.55 119.50 1rg5 n ASP 257 Ca 0.00 -0.87 -0.42 0.00 0.71 0.00 0.00 54.79 54.21 1rg5 n ASP 257 Cb 0.38 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 1rg5 n ASP 257 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1rg5 s GLN 258 N -1.66 4.33 0.45 -1.24 -1.52 -1.26 -4.77 119.66 114.00 1rg5 s GLN 258 Ca 0.00 2.02 0.13 0.00 -1.95 0.00 0.00 55.36 55.57 1rg5 s GLN 258 Cb 0.00 -3.30 1.02 0.00 -0.22 0.00 0.00 33.01 30.52 1rg5 s GLN 258 CO 0.00 -0.43 2.02 -1.49 -0.25 0.00 0.00 175.29 175.15 1rg5 h TRP 259 N 6.91 0.08 -0.56 0.91 4.06 -1.71 -2.20 115.95 123.45 1rg5 h TRP 259 Ca -0.42 -0.00 0.07 0.00 2.06 0.00 0.00 58.89 60.60 1rg5 h TRP 259 Cb 1.21 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 29.31 1rg5 h TRP 259 CO 0.67 0.18 0.37 -0.24 -3.56 0.00 0.00 178.44 175.86 1rg5 h VAL 260 N 0.07 0.97 0.00 1.49 3.04 -1.82 -2.61 116.25 117.40 1rg5 h VAL 260 Ca 0.02 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1rg5 h VAL 260 Cb 0.22 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 1rg5 h VAL 260 CO 0.01 0.09 0.00 0.44 -1.01 0.00 0.00 177.57 177.10 1rg5 h ASP 261 N 0.49 0.00 -0.77 3.17 3.32 -1.79 -3.09 116.42 117.74 1rg5 h ASP 261 Ca 0.24 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.36 1rg5 h ASP 261 Cb 0.33 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 1rg5 h ASP 261 CO -0.07 0.00 0.50 -0.25 -1.72 0.00 0.00 179.24 177.71 1rg5 h TRP 262 N 0.00 0.82 0.00 4.55 7.01 -1.56 -2.72 115.95 124.06 1rg5 h TRP 262 Ca 0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1rg5 h TRP 262 Cb 0.65 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 1rg5 h TRP 262 CO 0.00 0.43 0.00 0.91 -2.79 0.00 0.00 178.44 176.99 1rg5 n TRP 263 N -4.48 0.00 0.31 2.65 7.02 -1.17 -2.55 117.44 119.21 1rg5 n TRP 263 Ca 0.12 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.79 1rg5 n TRP 263 Cb 0.24 -0.30 0.96 0.00 -2.42 0.00 0.00 31.31 29.79 1rg5 n TRP 263 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1rg5 h GLN 264 N 0.00 0.00 -0.51 -0.99 4.20 -1.71 -2.80 115.11 113.30 1rg5 h GLN 264 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1rg5 h GLN 264 Cb 0.12 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1rg5 h GLN 264 CO 0.00 0.01 0.30 0.11 -0.67 0.00 0.00 178.83 178.58 1rg5 h TRP 265 N 0.00 0.56 -0.10 2.96 5.08 -1.75 -1.83 115.95 120.87 1rg5 h TRP 265 Ca -0.00 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.98 1rg5 h TRP 265 Cb 0.24 -0.18 -0.00 0.00 -3.00 0.00 0.00 29.16 26.21 1rg5 h TRP 265 CO 0.00 0.32 0.04 2.35 -1.28 0.00 0.00 178.44 179.87 1rg5 h TRP 266 N 0.60 0.16 0.00 0.12 2.91 -1.76 -3.18 115.95 114.80 1rg5 h TRP 266 Ca 0.21 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.21 1rg5 h TRP 266 Cb 0.03 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 28.63 1rg5 h TRP 266 CO -0.07 0.27 0.00 -0.39 -1.03 0.00 0.00 178.44 177.22 1rg5 h VAL 267 N -0.00 0.00 -0.17 2.65 -1.51 -1.50 -3.12 116.25 112.60 1rg5 h VAL 267 Ca 0.03 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 1rg5 h VAL 267 Cb 0.18 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1rg5 h VAL 267 CO -0.00 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.63 1rg5 n LYS 268 N -3.00 2.06 -1.64 5.19 4.76 -0.71 -4.07 118.16 120.74 1rg5 n LYS 268 Ca 0.03 -1.57 -0.48 0.00 -2.87 0.00 0.00 58.31 53.42 1rg5 n LYS 268 Cb 0.43 -1.46 -0.04 0.00 -1.84 0.00 0.00 35.03 32.12 1rg5 n LYS 268 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1rg5 n LEU 269 N 0.83 2.57 0.27 -0.35 4.77 -1.18 -4.61 117.00 119.30 1rg5 n LEU 269 Ca 0.17 1.11 0.12 0.00 -0.03 0.00 0.00 56.01 57.38 1rg5 n LEU 269 Cb 0.47 -1.35 0.76 0.00 -2.33 0.00 0.00 43.42 40.98 1rg5 n LEU 269 CO 0.15 -0.61 1.05 1.55 -1.33 0.00 0.00 177.39 178.20 1rg5 h PRO 270 N 5.04 0.00 -0.54 3.23 0.13 -1.94 0.09 132.00 138.02 1rg5 h PRO 270 Ca -0.46 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.78 1rg5 h PRO 270 Cb 1.29 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.31 1rg5 h PRO 270 CO 0.82 0.05 -0.14 -1.49 -0.23 0.00 0.00 178.00 177.01 1rg5 h TRP 271 N 0.00 -0.30 -0.00 1.56 6.55 -1.98 -3.29 115.95 118.48 1rg5 h TRP 271 Ca -0.00 0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.89 1rg5 h TRP 271 Cb 0.11 0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.63 1rg5 h TRP 271 CO 0.00 -0.24 -0.15 -2.67 -1.05 0.00 0.00 178.44 174.33 1rg5 n TRP 272 N -5.38 0.00 -0.40 0.49 2.14 -1.02 -4.80 117.44 108.47 1rg5 n TRP 272 Ca 0.05 0.00 0.33 0.00 2.07 0.00 0.00 57.50 59.95 1rg5 n TRP 272 Cb 0.29 0.00 0.63 0.00 -0.81 0.00 0.00 31.31 31.42 1rg5 n TRP 272 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1rg5 h ALA 273 N 0.55 2.72 -0.01 -1.67 0.00 -1.05 -2.34 119.26 117.46 1rg5 h ALA 273 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rg5 h ALA 273 Cb 0.10 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1rg5 h ALA 273 CO 0.00 -1.21 -0.29 0.09 0.00 0.00 0.00 179.25 177.84 1rg5 n ASN 274 N -4.51 1.19 -4.72 0.00 4.13 -1.26 -4.95 115.26 105.14 1rg5 n ASN 274 Ca 0.31 -1.09 -0.42 0.00 1.68 0.00 0.00 54.58 55.06 1rg5 n ASN 274 Cb 1.25 0.56 -0.03 0.00 -1.54 0.00 0.00 39.78 40.02 1rg5 n ASN 274 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1rg5 s ILE 275 N -1.60 2.31 0.73 2.41 1.01 -0.88 -4.97 121.20 120.21 1rg5 s ILE 275 Ca 0.09 0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.83 1rg5 s ILE 275 Cb 0.09 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.46 1rg5 s ILE 275 CO 0.32 0.02 1.07 -2.84 0.00 0.00 0.00 174.94 173.51 1rg5 s PRO 276 N 1.25 2.65 0.15 2.79 0.02 -1.26 -4.79 135.00 135.82 1rg5 s PRO 276 Ca 0.73 0.79 0.00 0.00 0.02 0.00 0.00 61.00 62.54 1rg5 s PRO 276 Cb -0.47 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.08 1rg5 s PRO 276 CO 0.32 -1.26 0.00 0.41 -0.33 0.00 0.00 177.00 176.14 1rg5 n GLY 277 N -2.14 -1.41 7.00 0.52 0.00 -1.26 -4.99 105.19 102.91 1rg5 n GLY 277 Ca 0.07 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1rg5 n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rg5 n GLY 278 N 0.00 1.46 0.10 -0.02 0.00 -1.26 -2.65 105.19 102.82 1rg5 n GLY 278 Ca 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 1rg5 n GLY 278 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rg5 n ILE 279 N 0.00 1.55 -1.99 -0.61 2.08 -1.26 -4.61 119.36 114.52 1rg5 n ILE 279 Ca 0.00 -0.77 -0.28 0.00 0.56 0.00 0.00 62.75 62.26 1rg5 n ILE 279 Cb 0.00 -1.00 0.03 0.00 -0.75 0.00 0.00 39.64 37.92 1rg5 n ILE 279 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1rg5 n ASN 280 N -3.04 5.68 0.00 4.38 5.03 -1.26 -5.28 115.26 120.77 1rg5 n ASN 280 Ca -0.29 -3.76 0.00 0.00 0.87 0.00 0.00 54.58 51.40 1rg5 n ASN 280 Cb 1.08 -0.57 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 1rg5 n ASN 280 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04