#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bm8 n ASP 3 N 0.00 -0.11 0.11 1.20 5.75 -1.26 -4.76 116.55 117.48 2bm8 n ASP 3 Ca 0.00 -1.07 0.17 0.00 -0.01 0.00 0.00 54.79 53.89 2bm8 n ASP 3 Cb 0.00 -0.24 0.72 0.00 -1.03 0.00 0.00 41.12 40.57 2bm8 n ASP 3 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 2bm8 h TYR 4 N -1.24 0.00 -0.51 2.11 -0.00 -2.05 -3.03 116.97 112.25 2bm8 h TYR 4 Ca -0.10 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.64 2bm8 h TYR 4 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.98 2bm8 h TYR 4 CO 0.00 0.00 0.33 0.77 -0.00 0.00 0.00 178.16 179.26 2bm8 h SER 5 N 0.00 0.56 0.09 0.10 0.02 -2.06 -3.22 113.55 109.04 2bm8 h SER 5 Ca 0.16 -0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.78 2bm8 h SER 5 Cb 0.69 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 2bm8 h SER 5 CO -0.00 0.40 -2.23 0.54 -1.14 0.00 0.00 176.83 174.40 2bm8 n ARG 6 N -4.75 0.68 -1.54 3.45 3.00 -1.22 -5.00 116.66 111.28 2bm8 n ARG 6 Ca 0.03 0.02 -0.51 0.00 -0.01 0.00 0.00 57.85 57.37 2bm8 n ARG 6 Cb 0.04 -1.56 -0.05 0.00 0.00 0.00 0.00 32.46 30.88 2bm8 n ARG 6 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2bm8 n GLN 7 N -2.74 0.76 -3.63 5.56 -0.06 -1.15 -4.96 117.38 111.16 2bm8 n GLN 7 Ca -0.27 0.27 -0.37 0.00 -2.00 0.00 0.00 57.00 54.63 2bm8 n GLN 7 Cb 1.08 -1.73 -0.06 0.00 -4.06 0.00 0.00 30.24 25.46 2bm8 n GLN 7 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2bm8 s ASN 8 N -0.06 6.52 -0.71 1.69 0.02 -1.26 -4.99 114.94 116.15 2bm8 s ASN 8 Ca 0.78 0.62 0.02 0.00 -1.02 0.00 0.00 52.86 53.26 2bm8 s ASN 8 Cb -0.97 -2.17 0.17 0.00 0.02 0.00 0.00 41.25 38.31 2bm8 s ASN 8 CO 0.53 0.25 0.52 -0.36 0.02 0.00 0.00 177.10 178.06 2bm8 s PHE 9 N -0.39 3.57 0.16 2.20 0.40 -1.26 -5.07 117.98 117.58 2bm8 s PHE 9 Ca 0.18 -3.16 -0.31 0.00 -0.60 0.00 0.00 56.93 53.04 2bm8 s PHE 9 Cb -0.14 -2.92 -0.17 0.00 0.51 0.00 0.00 43.02 40.30 2bm8 s PHE 9 CO 0.06 -0.66 0.75 1.04 0.70 0.00 0.00 175.22 177.11 2bm8 n GLN 10 N 2.44 0.24 -2.27 0.44 6.02 -1.26 -4.85 117.38 118.14 2bm8 n GLN 10 Ca 0.16 0.08 -0.43 0.00 -0.01 0.00 0.00 57.00 56.81 2bm8 n GLN 10 Cb 0.35 -1.27 -0.02 0.00 1.02 0.00 0.00 30.24 30.32 2bm8 n GLN 10 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2bm8 s ASP 11 N -0.65 6.68 0.03 1.08 2.15 -1.26 -4.89 116.67 119.81 2bm8 s ASP 11 Ca 0.70 1.65 0.24 0.00 0.43 0.00 0.00 52.55 55.57 2bm8 s ASP 11 Cb -0.97 -2.54 1.00 0.00 -0.30 0.00 0.00 42.92 40.11 2bm8 s ASP 11 CO 0.56 -1.00 1.76 0.18 -0.17 0.00 0.00 175.17 176.51 2bm8 n LEU 12 N 7.43 0.09 0.23 -1.34 4.32 -1.26 -2.81 117.00 123.66 2bm8 n LEU 12 Ca 0.16 0.51 0.11 0.00 -0.02 0.00 0.00 56.01 56.77 2bm8 n LEU 12 Cb 0.45 -0.49 0.55 0.00 -1.62 0.00 0.00 43.42 42.31 2bm8 n LEU 12 CO 0.61 -0.12 0.86 0.78 -1.22 0.00 0.00 177.39 178.30 2bm8 h ASN 13 N 0.00 0.00 -0.24 -1.43 2.35 -2.00 -2.74 115.58 111.51 2bm8 h ASN 13 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 2bm8 h ASN 13 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2bm8 h ASN 13 CO 0.00 0.20 0.21 -0.07 -1.65 0.00 0.00 177.43 176.12 2bm8 h LEU 14 N 0.00 0.00 -1.47 1.61 4.07 -1.94 -2.43 115.31 115.15 2bm8 h LEU 14 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2bm8 h LEU 14 Cb 0.60 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.34 2bm8 h LEU 14 CO 0.03 0.00 -0.01 0.49 -1.08 0.00 0.00 178.44 177.87 2bm8 n PHE 15 N -4.11 0.00 -1.68 1.13 0.99 -1.03 -4.90 117.46 107.85 2bm8 n PHE 15 Ca 0.03 0.00 -0.51 0.00 -0.00 0.00 0.00 57.45 56.97 2bm8 n PHE 15 Cb 0.36 -0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.78 2bm8 n PHE 15 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2bm8 n ARG 16 N 0.79 1.84 -0.98 -1.08 0.63 -0.92 -1.72 116.66 115.22 2bm8 n ARG 16 Ca 0.16 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.76 2bm8 n ARG 16 Cb 0.49 -2.49 0.00 0.00 0.45 0.00 0.00 32.46 30.91 2bm8 n ARG 16 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2bm8 n GLY 17 N 4.43 0.93 0.40 5.14 0.00 -1.26 -4.77 105.19 110.05 2bm8 n GLY 17 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2bm8 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bm8 n LEU 18 N 0.00 1.35 0.00 0.99 4.77 -0.72 -5.11 117.00 118.29 2bm8 n LEU 18 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2bm8 n LEU 18 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2bm8 n LEU 18 CO 0.00 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 2bm8 n GLY 19 N 2.68 1.03 0.58 -0.72 0.00 -0.70 -4.81 105.19 103.24 2bm8 n GLY 19 Ca 0.00 -2.06 0.12 0.00 0.00 0.00 0.00 46.02 44.08 2bm8 n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2bm8 n GLU 20 N 0.99 1.51 -3.64 1.61 0.28 -1.26 -4.63 120.64 115.51 2bm8 n GLU 20 Ca 0.00 -1.16 -0.13 0.00 -0.16 0.00 0.00 57.16 55.71 2bm8 n GLU 20 Cb 0.00 -1.48 -0.13 0.00 1.43 0.00 0.00 31.44 31.27 2bm8 n GLU 20 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2bm8 s ASP 21 N -2.28 0.36 0.54 -1.84 -1.08 -1.26 -5.03 116.67 106.07 2bm8 s ASP 21 Ca 0.25 0.57 0.32 0.00 -0.52 0.00 0.00 52.55 53.17 2bm8 s ASP 21 Cb 0.19 0.75 1.45 0.00 -1.46 0.00 0.00 42.92 43.85 2bm8 s ASP 21 CO 0.45 -0.25 2.02 1.55 0.52 0.00 0.00 175.17 179.47 2bm8 h PRO 22 N 8.28 0.00 -6.97 4.34 0.13 -1.89 -3.44 132.00 132.45 2bm8 h PRO 22 Ca -0.15 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.51 2bm8 h PRO 22 Cb 1.12 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.25 2bm8 h PRO 22 CO 0.14 0.07 0.39 0.00 -0.23 0.00 0.00 178.00 178.37 2bm8 s ALA 23 N -3.83 3.08 -0.02 -0.56 0.00 -1.26 -4.45 121.76 114.71 2bm8 s ALA 23 Ca -0.01 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 2bm8 s ALA 23 Cb 0.11 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 2bm8 s ALA 23 CO 0.55 -0.12 1.00 -0.47 0.00 0.00 0.00 175.76 176.72 2bm8 s TYR 24 N -1.74 3.60 -0.11 0.00 5.04 -1.26 -4.89 117.35 117.99 2bm8 s TYR 24 Ca 0.58 1.64 0.02 0.00 -2.44 0.00 0.00 57.07 56.87 2bm8 s TYR 24 Cb -0.20 -3.16 0.01 0.00 0.35 0.00 0.00 41.96 38.97 2bm8 s TYR 24 CO 0.25 -0.17 -0.15 -1.01 -1.34 0.00 0.00 175.55 173.13 2bm8 s HIS 25 N 1.30 1.97 0.53 4.97 3.76 -1.26 -5.02 115.29 121.54 2bm8 s HIS 25 Ca 0.52 -0.93 -0.21 0.00 -0.15 0.00 0.00 55.06 54.29 2bm8 s HIS 25 Cb -0.21 -1.42 -0.07 0.00 1.11 0.00 0.00 32.58 31.99 2bm8 s HIS 25 CO 0.25 -0.48 1.08 -2.30 -0.85 0.00 0.00 174.74 172.44 2bm8 n PRO 26 N 4.20 1.26 -1.90 8.40 -0.02 -1.26 -4.93 135.00 140.75 2bm8 n PRO 26 Ca -0.19 0.47 -0.40 0.00 -2.02 0.00 0.00 63.50 61.35 2bm8 n PRO 26 Cb 0.51 -2.23 -0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2bm8 n PRO 26 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2bm8 s PRO 27 N -2.54 4.02 -0.06 0.52 0.04 -1.26 -5.01 135.00 130.70 2bm8 s PRO 27 Ca 0.70 2.40 0.04 0.00 0.04 0.00 0.00 61.00 64.18 2bm8 s PRO 27 Cb -0.46 -2.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 2bm8 s PRO 27 CO 0.51 -0.54 -0.17 0.08 0.04 0.00 0.00 177.00 176.92 2bm8 s VAL 28 N -1.17 2.79 0.10 -0.36 1.01 -1.26 -5.12 120.40 116.39 2bm8 s VAL 28 Ca 0.55 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 2bm8 s VAL 28 Cb -0.43 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 2bm8 s VAL 28 CO 0.57 0.58 0.67 -0.76 0.00 0.00 0.00 175.10 176.16 2bm8 s LEU 29 N -0.44 4.54 0.00 3.92 1.02 -1.26 -4.81 118.68 121.65 2bm8 s LEU 29 Ca 0.05 1.43 0.00 0.00 0.02 0.00 0.00 54.13 55.63 2bm8 s LEU 29 Cb -0.12 -3.09 0.00 0.00 0.02 0.00 0.00 46.19 43.01 2bm8 s LEU 29 CO 0.02 0.22 0.00 0.35 0.02 0.00 0.00 176.35 176.95 2bm8 n THR 30 N 1.82 0.00 1.04 5.49 -2.24 -1.26 -4.83 114.28 114.31 2bm8 n THR 30 Ca -0.08 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.75 2bm8 n THR 30 Cb 0.50 -1.28 0.12 0.00 -2.10 0.00 0.00 70.33 67.57 2bm8 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2bm8 n ASP 31 N -2.88 1.60 -3.50 3.42 5.75 -1.26 -4.90 116.55 114.78 2bm8 n ASP 31 Ca 0.00 -2.04 -0.10 0.00 -0.01 0.00 0.00 54.79 52.64 2bm8 n ASP 31 Cb 0.43 -0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 40.27 2bm8 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bm8 s ARG 32 N -1.64 0.92 0.65 0.11 1.04 -1.26 -5.14 118.95 113.62 2bm8 s ARG 32 Ca 0.18 -0.23 -0.15 0.00 -1.04 0.00 0.00 55.73 54.49 2bm8 s ARG 32 Cb 0.10 0.42 -0.00 0.00 -2.04 0.00 0.00 34.95 33.43 2bm8 s ARG 32 CO 0.12 -0.38 1.11 -1.25 -0.04 0.00 0.00 175.30 174.86 2bm8 s PRO 33 N -2.81 2.84 0.17 3.89 0.04 -1.26 -4.90 135.00 132.97 2bm8 s PRO 33 Ca 0.02 1.41 0.05 0.00 0.04 0.00 0.00 61.00 62.52 2bm8 s PRO 33 Cb -0.01 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.59 2bm8 s PRO 33 CO -0.07 -1.22 1.40 -0.09 0.04 0.00 0.00 177.00 177.06 2bm8 h ARG 34 N 0.11 0.10 -4.04 4.56 2.43 -2.01 -3.39 114.38 112.13 2bm8 h ARG 34 Ca -0.47 -0.11 -0.74 0.00 -0.81 0.00 0.00 59.98 57.85 2bm8 h ARG 34 Cb 1.25 0.03 -0.29 0.00 -0.42 0.00 0.00 29.97 30.54 2bm8 h ARG 34 CO 0.54 0.90 -0.26 -0.51 -1.51 0.00 0.00 179.97 179.13 2bm8 s ASP 35 N -6.85 5.91 -0.07 -3.80 1.01 -1.26 -5.05 116.67 106.55 2bm8 s ASP 35 Ca -0.01 -2.24 -0.26 0.00 0.71 0.00 0.00 52.55 50.74 2bm8 s ASP 35 Cb 0.11 -2.05 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 2bm8 s ASP 35 CO 0.81 -0.63 0.84 0.86 0.21 0.00 0.00 175.17 177.26 2bm8 s TRP 36 N 0.87 3.57 0.33 4.23 -0.11 -1.26 -5.04 118.94 121.53 2bm8 s TRP 36 Ca 0.10 1.42 -0.29 0.00 1.22 0.00 0.00 56.10 58.56 2bm8 s TRP 36 Cb -0.22 -2.97 -0.10 0.00 -1.50 0.00 0.00 33.47 28.68 2bm8 s TRP 36 CO -0.03 -0.02 1.25 -1.25 -4.62 0.00 0.00 176.95 172.28 2bm8 s PRO 37 N 1.19 4.39 0.42 5.86 0.04 -1.26 -4.94 135.00 140.71 2bm8 s PRO 37 Ca 0.43 2.11 0.27 0.00 0.04 0.00 0.00 61.00 63.85 2bm8 s PRO 37 Cb -0.19 -3.07 0.82 0.00 0.04 0.00 0.00 34.50 32.11 2bm8 s PRO 37 CO 0.20 -0.11 1.77 -0.07 0.04 0.00 0.00 177.00 178.83 2bm8 h LEU 38 N 3.42 0.00 -0.11 -3.56 4.07 -1.98 -2.58 115.31 114.56 2bm8 h LEU 38 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.48 2bm8 h LEU 38 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2bm8 h LEU 38 CO 0.65 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 177.11 2bm8 n ASP 39 N -2.88 0.18 -0.30 -0.43 5.75 -1.26 -2.75 116.55 114.86 2bm8 n ASP 39 Ca 0.03 0.53 0.08 0.00 -0.01 0.00 0.00 54.79 55.42 2bm8 n ASP 39 Cb 0.41 -0.57 0.17 0.00 -1.03 0.00 0.00 41.12 40.09 2bm8 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bm8 n ARG 40 N -1.68 1.38 -0.31 0.11 5.12 -0.98 -4.90 116.66 115.41 2bm8 n ARG 40 Ca 0.04 -2.86 0.11 0.00 -1.93 0.00 0.00 57.85 53.22 2bm8 n ARG 40 Cb 0.24 -1.53 0.28 0.00 -1.16 0.00 0.00 32.46 30.30 2bm8 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 2bm8 h TRP 41 N 0.41 0.78 0.00 -1.55 7.01 -1.48 -2.13 115.95 119.00 2bm8 h TRP 41 Ca -0.00 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2bm8 h TRP 41 Cb 1.01 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 27.86 2bm8 h TRP 41 CO 0.31 0.09 -0.06 0.00 -2.79 0.00 0.00 178.44 175.99 2bm8 h ALA 42 N 1.64 1.05 -0.04 2.65 0.00 -1.90 -2.87 119.26 119.80 2bm8 h ALA 42 Ca 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2bm8 h ALA 42 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2bm8 h ALA 42 CO -0.44 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.28 2bm8 n GLU 43 N -3.24 2.30 -2.03 0.00 4.71 -0.80 -4.93 120.64 116.65 2bm8 n GLU 43 Ca -0.00 -1.89 -0.42 0.00 -0.01 0.00 0.00 57.16 54.84 2bm8 n GLU 43 Cb 0.28 -1.46 -0.03 0.00 -1.01 0.00 0.00 31.44 29.22 2bm8 n GLU 43 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2bm8 s ALA 44 N -1.99 3.70 0.74 0.62 0.00 -1.09 -4.94 121.76 118.80 2bm8 s ALA 44 Ca 0.29 1.28 -0.15 0.00 0.00 0.00 0.00 51.96 53.37 2bm8 s ALA 44 Cb 0.20 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.76 2bm8 s ALA 44 CO 0.30 -0.72 1.08 -0.35 0.00 0.00 0.00 175.76 176.08 2bm8 n PRO 45 N 3.74 0.50 0.00 0.00 -0.04 -1.26 -4.94 135.00 133.00 2bm8 n PRO 45 Ca 0.12 0.23 0.04 0.00 -0.04 0.00 0.00 63.50 63.85 2bm8 n PRO 45 Cb 0.40 -2.33 -0.02 0.00 -0.04 0.00 0.00 33.50 31.51 2bm8 n PRO 45 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2bm8 n ARG 46 N -2.27 3.27 -2.24 0.54 3.00 -1.26 -5.00 116.66 112.70 2bm8 n ARG 46 Ca 0.14 -0.28 -0.26 0.00 -0.00 0.00 0.00 57.85 57.44 2bm8 n ARG 46 Cb 0.49 -0.95 0.06 0.00 0.00 0.00 0.00 32.46 32.07 2bm8 n ARG 46 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2bm8 s ASP 47 N -1.45 4.91 0.27 6.15 -4.77 -1.26 -5.00 116.67 115.53 2bm8 s ASP 47 Ca 0.05 0.46 -0.04 0.00 -3.30 0.00 0.00 52.55 49.71 2bm8 s ASP 47 Cb 0.06 -1.15 0.34 0.00 -1.09 0.00 0.00 42.92 41.08 2bm8 s ASP 47 CO 0.26 -1.52 1.94 0.25 0.70 0.00 0.00 175.17 176.80 2bm8 h LEU 48 N -0.52 1.07 0.00 2.11 5.85 -2.02 -3.46 115.31 118.33 2bm8 h LEU 48 Ca -0.44 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2bm8 h LEU 48 Cb 1.31 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2bm8 h LEU 48 CO 0.60 0.78 0.00 0.61 -0.34 0.00 0.00 178.44 180.09 2bm8 n GLY 49 N -1.38 0.76 3.82 3.75 0.00 -1.26 -5.03 105.19 105.84 2bm8 n GLY 49 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 2bm8 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bm8 s TYR 50 N -2.35 -0.05 0.22 1.61 -0.85 -1.26 -4.49 117.35 110.18 2bm8 s TYR 50 Ca 0.00 -0.41 -0.09 0.00 -0.52 0.00 0.00 57.07 56.05 2bm8 s TYR 50 Cb 0.00 0.72 0.33 0.00 0.38 0.00 0.00 41.96 43.39 2bm8 s TYR 50 CO 0.00 -1.14 1.67 1.03 -1.52 0.00 0.00 175.55 175.59 2bm8 h SER 51 N 2.00 -0.18 0.00 -0.18 0.87 -1.96 -3.46 113.55 110.65 2bm8 h SER 51 Ca -0.25 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2bm8 h SER 51 Cb 1.24 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 2bm8 h SER 51 CO 0.30 -0.08 0.00 -0.67 -0.53 0.00 0.00 176.83 175.85 2bm8 n ASP 52 N -5.24 0.00 0.13 6.23 -0.08 -1.26 -4.90 116.55 111.43 2bm8 n ASP 52 Ca 0.10 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.27 2bm8 n ASP 52 Cb 0.37 -0.91 -0.07 0.00 2.34 0.00 0.00 41.12 42.86 2bm8 n ASP 52 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2bm8 h PHE 53 N 0.00 -0.99 -1.73 -0.67 -0.00 -2.06 -3.39 116.94 108.11 2bm8 h PHE 53 Ca 0.00 0.02 -0.37 0.00 -0.00 0.00 0.00 57.97 57.61 2bm8 h PHE 53 Cb 0.00 0.40 -0.28 0.00 -0.00 0.00 0.00 35.95 36.08 2bm8 h PHE 53 CO 0.00 -0.42 -0.73 0.45 -0.00 0.00 0.00 178.31 177.60 2bm8 s SER 54 N -3.79 0.15 0.00 0.41 0.15 -1.26 -5.02 113.70 104.35 2bm8 s SER 54 Ca -0.11 -2.30 0.14 0.00 0.70 0.00 0.00 55.95 54.39 2bm8 s SER 54 Cb 0.03 0.69 0.42 0.00 -1.71 0.00 0.00 66.02 65.46 2bm8 s SER 54 CO 0.40 -0.13 1.35 -0.81 1.20 0.00 0.00 173.24 175.25 2bm8 n PRO 55 N 3.09 2.02 -3.37 5.44 -0.04 -1.26 -4.92 135.00 135.96 2bm8 n PRO 55 Ca 0.22 -1.59 -0.34 0.00 -0.04 0.00 0.00 63.50 61.75 2bm8 n PRO 55 Cb 0.51 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.56 2bm8 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2bm8 s TYR 56 N -1.43 3.56 0.28 0.54 1.51 -1.26 -4.93 117.35 115.62 2bm8 s TYR 56 Ca 0.30 1.01 0.03 0.00 -1.01 0.00 0.00 57.07 57.41 2bm8 s TYR 56 Cb 0.16 -2.34 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 2bm8 s TYR 56 CO 0.21 0.39 0.19 1.14 -1.11 0.00 0.00 175.55 176.37 2bm8 s GLN 57 N -2.17 1.52 -0.25 -0.62 -2.07 -1.26 -1.24 119.66 113.57 2bm8 s GLN 57 Ca 0.40 -1.86 -0.05 0.00 -1.82 0.00 0.00 55.36 52.04 2bm8 s GLN 57 Cb -0.14 0.17 0.13 0.00 -1.09 0.00 0.00 33.01 32.09 2bm8 s GLN 57 CO 0.20 -0.50 0.49 -0.46 -1.32 0.00 0.00 175.29 173.70 2bm8 s TRP 58 N -3.74 -1.11 -1.48 9.60 -0.11 0.40 -4.74 118.94 117.76 2bm8 s TRP 58 Ca 0.39 1.52 -0.13 0.00 1.22 0.00 0.00 56.10 59.10 2bm8 s TRP 58 Cb 0.05 0.38 0.09 0.00 -1.50 0.00 0.00 33.47 32.49 2bm8 s TRP 58 CO 0.19 -0.68 0.76 0.54 -4.62 0.00 0.00 176.95 173.14 2bm8 n ARG 59 N 5.40 -4.38 -0.91 5.86 1.74 -1.26 -1.50 116.66 121.62 2bm8 n ARG 59 Ca -0.06 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 2bm8 n ARG 59 Cb 0.50 -5.35 0.00 0.00 -1.02 0.00 0.00 32.46 26.59 2bm8 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bm8 n GLY 60 N -1.45 0.66 3.57 -0.13 0.00 -1.26 -5.04 105.19 101.53 2bm8 n GLY 60 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2bm8 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bm8 s LEU 61 N 0.00 3.10 0.34 0.99 1.43 -0.56 -4.25 118.68 119.73 2bm8 s LEU 61 Ca 0.00 -0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 2bm8 s LEU 61 Cb 0.00 -1.71 -0.11 0.00 0.03 0.00 0.00 46.19 44.40 2bm8 s LEU 61 CO 0.00 0.33 1.40 -0.13 0.23 0.00 0.00 176.35 178.18 2bm8 s ARG 62 N -1.01 4.24 -0.29 1.70 0.52 -1.26 -0.46 118.95 122.39 2bm8 s ARG 62 Ca 0.14 2.38 -0.01 0.00 -0.52 0.00 0.00 55.73 57.72 2bm8 s ARG 62 Cb -0.11 -3.03 0.05 0.00 0.52 0.00 0.00 34.95 32.38 2bm8 s ARG 62 CO 0.03 -0.36 -0.02 -1.64 0.02 0.00 0.00 175.30 173.34 2bm8 s MET 63 N -1.74 2.39 0.34 3.54 -1.94 -0.37 -4.06 119.30 117.46 2bm8 s MET 63 Ca 0.52 -1.29 0.17 0.00 -1.71 0.00 0.00 55.69 53.39 2bm8 s MET 63 Cb -0.43 -3.14 0.43 0.00 2.01 0.00 0.00 34.83 33.70 2bm8 s MET 63 CO 0.56 -0.62 1.61 -0.07 -0.01 0.00 0.00 175.02 176.49 2bm8 h LEU 64 N 7.96 0.00 -9.19 -0.03 3.38 -1.94 -3.39 115.31 112.10 2bm8 h LEU 64 Ca -0.21 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.20 2bm8 h LEU 64 Cb 1.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2bm8 h LEU 64 CO 0.52 0.43 0.74 -0.54 0.09 0.00 0.00 178.44 179.68 2bm8 s LYS 65 N -3.31 4.32 0.79 1.13 1.02 -1.26 -5.04 119.74 117.38 2bm8 s LYS 65 Ca 0.02 1.50 -0.12 0.00 0.02 0.00 0.00 55.97 57.39 2bm8 s LYS 65 Cb 0.09 -3.62 0.06 0.00 -0.52 0.00 0.00 37.83 33.85 2bm8 s LYS 65 CO 0.71 -0.52 1.13 0.16 -0.92 0.00 0.00 175.35 175.90 2bm8 s ASP 66 N 1.40 4.66 0.25 2.83 1.47 -1.26 -4.73 116.67 121.28 2bm8 s ASP 66 Ca 0.50 1.04 -0.03 0.00 1.18 0.00 0.00 52.55 55.24 2bm8 s ASP 66 Cb -0.19 -1.70 0.48 0.00 -0.34 0.00 0.00 42.92 41.17 2bm8 s ASP 66 CO 0.14 -1.83 1.72 -0.65 0.68 0.00 0.00 175.17 175.23 2bm8 h PRO 67 N -1.00 0.41 -0.72 2.11 0.11 -1.96 -0.39 132.00 130.55 2bm8 h PRO 67 Ca -0.47 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.71 2bm8 h PRO 67 Cb 1.29 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.24 2bm8 h PRO 67 CO 0.63 0.27 0.37 -0.44 -0.21 0.00 0.00 178.00 178.62 2bm8 h ASP 68 N 0.42 0.49 -0.20 -2.05 3.45 -1.94 -1.47 116.42 115.11 2bm8 h ASP 68 Ca 0.43 0.06 -0.13 0.00 0.43 0.00 0.00 57.03 57.81 2bm8 h ASP 68 Cb 0.68 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.41 2bm8 h ASP 68 CO -0.43 0.28 -0.33 0.74 -1.57 0.00 0.00 179.24 177.92 2bm8 h THR 69 N 0.62 1.28 -0.69 0.35 2.02 -1.58 -2.78 112.91 112.14 2bm8 h THR 69 Ca 0.36 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 66.06 2bm8 h THR 69 Cb 0.37 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 2bm8 h THR 69 CO -0.27 0.48 0.43 1.56 0.37 0.00 0.00 175.52 178.10 2bm8 h GLN 70 N 0.60 0.92 -0.18 6.66 4.20 -0.43 -1.74 115.11 125.14 2bm8 h GLN 70 Ca 0.06 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 2bm8 h GLN 70 Cb 0.86 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 2bm8 h GLN 70 CO 0.07 0.62 -0.25 0.00 -0.67 0.00 0.00 178.83 178.61 2bm8 h ALA 71 N 1.54 0.27 0.02 3.87 0.00 -1.12 -1.22 119.26 122.62 2bm8 h ALA 71 Ca 0.25 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2bm8 h ALA 71 Cb -0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2bm8 h ALA 71 CO -0.05 0.25 -0.23 0.28 0.00 0.00 0.00 179.25 179.51 2bm8 h VAL 72 N 0.14 0.48 -0.75 0.00 2.07 -1.38 -1.60 116.25 115.20 2bm8 h VAL 72 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2bm8 h VAL 72 Cb 0.82 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2bm8 h VAL 72 CO 0.06 0.00 0.50 1.88 0.02 0.00 0.00 177.57 180.03 2bm8 h TYR 73 N -0.37 0.95 -0.46 1.57 -1.99 -1.24 0.04 116.97 115.47 2bm8 h TYR 73 Ca 0.06 0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.89 2bm8 h TYR 73 Cb 0.44 -0.32 -0.07 0.00 2.00 0.00 0.00 36.73 38.78 2bm8 h TYR 73 CO -0.26 0.60 0.04 1.25 -0.00 0.00 0.00 178.16 179.79 2bm8 h HIS 74 N 1.02 0.05 -0.77 4.88 2.76 -1.05 0.20 115.15 122.25 2bm8 h HIS 74 Ca 0.28 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.44 2bm8 h HIS 74 Cb -0.12 0.05 -0.04 0.00 1.55 0.00 0.00 27.41 28.85 2bm8 h HIS 74 CO -0.02 -0.05 0.35 -0.44 -1.30 0.00 0.00 177.93 176.46 2bm8 h ASP 75 N 0.16 1.02 -0.26 3.26 3.32 -0.47 -1.76 116.42 121.69 2bm8 h ASP 75 Ca 0.23 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 2bm8 h ASP 75 Cb 0.32 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2bm8 h ASP 75 CO -0.34 0.87 -0.03 -0.03 -1.72 0.00 0.00 179.24 177.99 2bm8 h MET 76 N 1.10 0.48 -0.57 3.56 4.05 0.02 -1.62 114.93 121.96 2bm8 h MET 76 Ca 0.26 -0.17 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 2bm8 h MET 76 Cb 0.15 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 2bm8 h MET 76 CO -0.03 0.67 0.21 -0.07 0.23 0.00 0.00 176.91 177.92 2bm8 h LEU 77 N 0.24 0.80 -1.22 3.39 4.07 -0.60 -1.23 115.31 120.77 2bm8 h LEU 77 Ca 0.07 -0.19 -0.07 0.00 0.08 0.00 0.00 57.88 57.77 2bm8 h LEU 77 Cb 0.48 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 2bm8 h LEU 77 CO 0.02 0.77 -0.27 -0.25 -1.08 0.00 0.00 178.44 177.63 2bm8 h TRP 78 N 0.79 0.21 0.19 1.13 2.91 -1.21 0.82 115.95 120.79 2bm8 h TRP 78 Ca 0.19 -0.04 -0.30 0.00 1.13 0.00 0.00 58.89 59.87 2bm8 h TRP 78 Cb 0.24 -0.06 0.02 0.00 -0.51 0.00 0.00 29.16 28.85 2bm8 h TRP 78 CO 0.01 0.45 -1.41 1.49 -1.03 0.00 0.00 178.44 177.95 2bm8 h GLU 79 N 0.18 0.41 0.01 2.65 4.81 -1.07 -3.40 114.58 118.17 2bm8 h GLU 79 Ca 0.03 -0.70 -0.33 0.00 -0.13 0.00 0.00 59.36 58.23 2bm8 h GLU 79 Cb 0.57 0.26 -0.06 0.00 0.63 0.00 0.00 28.75 30.16 2bm8 h GLU 79 CO 0.04 1.33 -2.02 -0.11 -0.73 0.00 0.00 179.01 177.53 2bm8 n LEU 80 N -3.80 0.80 -3.43 1.64 0.00 -0.48 -5.02 117.00 106.70 2bm8 n LEU 80 Ca -0.20 0.22 -0.19 0.00 0.00 0.00 0.00 56.01 55.85 2bm8 n LEU 80 Cb 1.01 0.14 0.04 0.00 0.00 0.00 0.00 43.42 44.60 2bm8 n LEU 80 CO 0.53 0.49 0.04 0.54 0.00 0.00 0.00 177.39 178.99 2bm8 n ARG 81 N -2.98 -1.54 -2.22 1.96 1.74 0.28 -4.78 116.66 109.12 2bm8 n ARG 81 Ca -0.25 0.85 -0.41 0.00 -0.77 0.00 0.00 57.85 57.26 2bm8 n ARG 81 Cb 1.09 -4.75 -0.03 0.00 -1.02 0.00 0.00 32.46 27.74 2bm8 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2bm8 s PRO 82 N -4.74 4.39 0.14 5.56 0.04 -1.26 -4.49 135.00 134.64 2bm8 s PRO 82 Ca 0.31 2.05 0.26 0.00 0.04 0.00 0.00 61.00 63.65 2bm8 s PRO 82 Cb -0.08 -3.20 0.67 0.00 0.04 0.00 0.00 34.50 31.93 2bm8 s PRO 82 CO 0.81 -0.25 1.61 0.54 0.04 0.00 0.00 177.00 179.74 2bm8 n ARG 83 N 2.68 0.23 -3.85 4.56 1.74 0.05 -4.44 116.66 117.62 2bm8 n ARG 83 Ca 0.06 0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 57.15 2bm8 n ARG 83 Cb 0.43 -1.71 -0.14 0.00 -1.02 0.00 0.00 32.46 30.02 2bm8 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2bm8 s THR 84 N -3.11 -0.00 -0.08 0.55 2.01 -0.94 -1.04 115.64 113.03 2bm8 s THR 84 Ca 0.09 0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.10 2bm8 s THR 84 Cb 0.14 -0.07 0.02 0.00 0.01 0.00 0.00 72.50 72.60 2bm8 s THR 84 CO 0.64 0.01 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.91 2bm8 s ILE 85 N 0.09 0.67 -0.13 1.82 1.01 -0.62 -1.97 121.20 122.07 2bm8 s ILE 85 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 2bm8 s ILE 85 Cb -0.01 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.70 2bm8 s ILE 85 CO -0.00 0.30 -0.12 -0.69 0.00 0.00 0.00 174.94 174.43 2bm8 s VAL 86 N 1.64 3.16 -0.19 2.92 1.01 0.22 -0.11 120.40 129.04 2bm8 s VAL 86 Ca 0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2bm8 s VAL 86 Cb -0.13 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.93 2bm8 s VAL 86 CO -0.05 0.53 -0.13 -1.61 0.00 0.00 0.00 175.10 173.84 2bm8 s GLU 87 N 0.24 3.17 -0.34 2.72 0.41 0.93 -0.85 118.70 124.98 2bm8 s GLU 87 Ca -0.08 -0.74 -0.21 0.00 -0.41 0.00 0.00 54.97 53.53 2bm8 s GLU 87 Cb -0.15 -2.75 0.00 0.00 -1.78 0.00 0.00 34.13 29.45 2bm8 s GLU 87 CO 0.05 -0.18 0.69 -0.51 -0.49 0.00 0.00 175.26 174.82 2bm8 s LEU 88 N 1.32 4.18 0.00 1.80 1.43 -0.40 -0.87 118.68 126.14 2bm8 s LEU 88 Ca 0.04 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2bm8 s LEU 88 Cb -0.14 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.20 2bm8 s LEU 88 CO -0.08 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 176.50 2bm8 n GLY 89 N 4.53 0.37 0.17 -3.19 0.00 0.92 -0.91 105.19 107.09 2bm8 n GLY 89 Ca 0.00 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 2bm8 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2bm8 n VAL 90 N 2.65 1.40 0.00 1.61 0.31 -1.26 -4.83 118.33 118.22 2bm8 n VAL 90 Ca 0.00 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2bm8 n VAL 90 Cb 0.00 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 2bm8 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bm8 n TYR 91 N -3.73 0.00 1.21 3.52 9.36 -1.26 -1.85 117.16 124.41 2bm8 n TYR 91 Ca -0.47 0.00 0.13 0.00 3.32 0.00 0.00 57.90 60.88 2bm8 n TYR 91 Cb 0.90 0.00 0.38 0.00 -0.63 0.00 0.00 39.34 39.99 2bm8 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2bm8 n ASN 92 N 7.97 0.87 0.00 2.98 6.94 -1.26 -3.39 115.26 129.37 2bm8 n ASN 92 Ca 0.00 -0.73 0.00 0.00 -0.02 0.00 0.00 54.58 53.83 2bm8 n ASN 92 Cb 0.00 0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 2bm8 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2bm8 n GLY 93 N 1.36 0.72 0.19 4.83 0.00 -0.77 -1.28 105.19 110.23 2bm8 n GLY 93 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 2bm8 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bm8 h GLY 94 N 0.00 0.59 1.81 -0.02 0.00 -1.80 -1.73 103.07 101.92 2bm8 h GLY 94 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 2bm8 h GLY 94 CO 0.00 -0.01 -0.61 1.48 0.00 0.00 0.00 176.54 177.41 2bm8 h SER 95 N 0.30 0.22 -0.47 0.19 4.64 -1.89 -1.23 113.55 115.32 2bm8 h SER 95 Ca 0.22 -0.13 0.05 0.00 -0.47 0.00 0.00 61.79 61.46 2bm8 h SER 95 Cb 0.24 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 2bm8 h SER 95 CO -0.24 0.78 0.21 -0.07 -0.87 0.00 0.00 176.83 176.64 2bm8 h LEU 96 N 0.15 0.29 -0.54 5.97 4.07 -1.72 0.06 115.31 123.58 2bm8 h LEU 96 Ca -0.01 0.03 -0.16 0.00 0.08 0.00 0.00 57.88 57.83 2bm8 h LEU 96 Cb 1.11 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 2bm8 h LEU 96 CO 0.09 0.20 -0.59 0.00 -1.08 0.00 0.00 178.44 177.06 2bm8 h ALA 97 N 1.27 0.72 0.22 1.53 0.00 -1.14 -2.45 119.26 119.41 2bm8 h ALA 97 Ca 0.21 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2bm8 h ALA 97 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2bm8 h ALA 97 CO -0.17 0.71 -0.11 2.35 0.00 0.00 0.00 179.25 182.03 2bm8 h TRP 98 N 0.33 -0.27 -0.57 0.00 7.01 -0.88 -0.63 115.95 120.94 2bm8 h TRP 98 Ca -0.00 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.05 2bm8 h TRP 98 Cb 1.13 0.09 -0.06 0.00 -2.10 0.00 0.00 29.16 28.22 2bm8 h TRP 98 CO 0.04 -0.11 0.27 0.74 -2.79 0.00 0.00 178.44 176.58 2bm8 h PHE 99 N -0.37 0.49 0.27 2.65 0.05 -0.95 0.13 116.94 119.21 2bm8 h PHE 99 Ca -0.03 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.77 2bm8 h PHE 99 Cb 0.28 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 38.10 2bm8 h PHE 99 CO -0.04 0.20 -0.13 -0.09 -0.18 0.00 0.00 178.31 178.07 2bm8 h ARG 100 N 0.50 -0.35 -0.82 1.51 1.12 -1.37 -1.86 114.38 113.12 2bm8 h ARG 100 Ca 0.27 0.02 0.03 0.00 -1.11 0.00 0.00 59.98 59.19 2bm8 h ARG 100 Cb 0.23 0.08 -0.05 0.00 -0.01 0.00 0.00 29.97 30.22 2bm8 h ARG 100 CO -0.21 -0.19 0.53 -0.44 -3.11 0.00 0.00 179.97 176.54 2bm8 h ASP 101 N -0.43 0.87 -0.19 -3.80 3.32 -0.81 -2.08 116.42 113.31 2bm8 h ASP 101 Ca -0.04 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2bm8 h ASP 101 Cb 0.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2bm8 h ASP 101 CO 0.06 0.60 -0.00 0.25 -1.72 0.00 0.00 179.24 178.43 2bm8 h LEU 102 N 1.02 0.32 -1.56 1.55 5.85 -0.84 -1.88 115.31 119.78 2bm8 h LEU 102 Ca 0.33 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2bm8 h LEU 102 Cb 0.01 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2bm8 h LEU 102 CO -0.11 0.56 0.14 0.71 -0.34 0.00 0.00 178.44 179.39 2bm8 h THR 103 N 0.08 1.12 -0.48 1.05 1.35 -1.24 -1.41 112.91 113.39 2bm8 h THR 103 Ca 0.05 -0.35 -0.12 0.00 -0.55 0.00 0.00 66.41 65.45 2bm8 h THR 103 Cb 0.39 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 2bm8 h THR 103 CO 0.01 0.14 -0.16 0.50 -0.25 0.00 0.00 175.52 175.76 2bm8 h LYS 104 N 0.43 0.95 -0.13 4.72 1.63 -1.09 0.84 116.57 123.93 2bm8 h LYS 104 Ca 0.11 -0.39 -0.12 0.00 -0.85 0.00 0.00 60.65 59.40 2bm8 h LYS 104 Cb 0.07 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 2bm8 h LYS 104 CO -0.01 1.05 -0.46 0.82 -3.45 0.00 0.00 179.45 177.40 2bm8 h ILE 105 N 0.80 1.33 0.00 2.00 2.04 -0.93 -2.65 117.51 120.09 2bm8 h ILE 105 Ca 0.11 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.32 2bm8 h ILE 105 Cb 0.73 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2bm8 h ILE 105 CO 0.06 0.50 0.00 0.23 0.00 0.00 0.00 178.15 178.93 2bm8 n MET 106 N -3.99 0.01 -1.12 2.37 2.81 -0.57 -4.90 117.12 111.73 2bm8 n MET 106 Ca -0.02 0.04 -0.01 0.00 -1.81 0.00 0.00 57.70 55.90 2bm8 n MET 106 Cb 0.52 -1.51 -0.00 0.00 -0.71 0.00 0.00 33.22 31.53 2bm8 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2bm8 n GLY 107 N 1.29 0.42 3.74 3.03 0.00 -0.83 -5.03 105.19 107.80 2bm8 n GLY 107 Ca 0.06 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 2bm8 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bm8 s ILE 108 N -2.02 5.25 -0.77 -0.61 1.01 0.23 -5.03 121.20 119.26 2bm8 s ILE 108 Ca 0.00 0.69 -0.23 0.00 0.00 0.00 0.00 60.65 61.11 2bm8 s ILE 108 Cb 0.00 -3.69 0.07 0.00 0.01 0.00 0.00 42.46 38.85 2bm8 s ILE 108 CO 0.00 0.39 1.11 -0.62 0.00 0.00 0.00 174.94 175.83 2bm8 s ASP 109 N 0.34 6.30 -0.08 3.58 3.68 -1.26 -4.16 116.67 125.08 2bm8 s ASP 109 Ca 0.20 -1.16 0.00 0.00 2.13 0.00 0.00 52.55 53.72 2bm8 s ASP 109 Cb -0.14 -2.46 0.02 0.00 -1.45 0.00 0.00 42.92 38.89 2bm8 s ASP 109 CO 0.07 -1.45 -0.07 0.00 0.13 0.00 0.00 175.17 173.85 2bm8 s GLN 111 N 1.33 4.40 -0.18 0.00 -1.52 -0.20 -4.94 119.66 118.56 2bm8 s GLN 111 Ca -0.03 0.92 -0.02 0.00 -1.95 0.00 0.00 55.36 54.28 2bm8 s GLN 111 Cb -0.14 -3.32 -0.01 0.00 -0.22 0.00 0.00 33.01 29.32 2bm8 s GLN 111 CO -0.03 0.41 -0.08 0.08 -0.25 0.00 0.00 175.29 175.42 2bm8 s VAL 112 N -0.42 3.25 -0.12 1.09 1.01 -0.36 -1.59 120.40 123.26 2bm8 s VAL 112 Ca 0.34 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2bm8 s VAL 112 Cb -0.20 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 2bm8 s VAL 112 CO 0.21 0.47 -0.21 -0.63 0.00 0.00 0.00 175.10 174.95 2bm8 s ILE 113 N 0.95 2.31 -0.10 2.22 1.01 0.85 -1.58 121.20 126.85 2bm8 s ILE 113 Ca -0.01 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.76 2bm8 s ILE 113 Cb -0.15 -1.92 -0.00 0.00 0.01 0.00 0.00 42.46 40.40 2bm8 s ILE 113 CO -0.00 0.55 -0.24 -0.83 0.00 0.00 0.00 174.94 174.42 2bm8 s GLY 114 N 0.52 1.34 -0.13 6.18 0.00 -0.67 -0.05 107.32 114.50 2bm8 s GLY 114 Ca -0.13 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.64 2bm8 s GLY 114 CO 0.05 -0.33 -0.20 -0.42 0.00 0.00 0.00 173.10 172.20 2bm8 s ILE 115 N 0.33 1.89 0.07 0.90 1.01 -0.05 -1.06 121.20 124.29 2bm8 s ILE 115 Ca -0.19 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 2bm8 s ILE 115 Cb -0.18 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.61 2bm8 s ILE 115 CO 0.09 0.52 0.25 -0.62 0.00 0.00 0.00 174.94 175.18 2bm8 s ASP 116 N 0.90 -0.02 0.52 3.58 -1.08 -0.78 -0.05 116.67 119.74 2bm8 s ASP 116 Ca -0.06 -0.40 0.31 0.00 -0.52 0.00 0.00 52.55 51.87 2bm8 s ASP 116 Cb -0.15 0.35 1.10 0.00 -1.46 0.00 0.00 42.92 42.75 2bm8 s ASP 116 CO -0.03 -0.67 1.88 -0.09 0.52 0.00 0.00 175.17 176.79 2bm8 h ARG 117 N 3.00 0.00 -2.36 4.34 2.43 -1.84 -2.56 114.38 117.39 2bm8 h ARG 117 Ca -0.33 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.56 2bm8 h ARG 117 Cb 1.20 0.00 -0.34 0.00 -0.42 0.00 0.00 29.97 30.41 2bm8 h ARG 117 CO 0.50 0.00 -0.60 0.34 -1.51 0.00 0.00 179.97 178.71 2bm8 s ASP 118 N -5.80 1.16 0.00 -3.80 2.15 -1.26 -4.56 116.67 104.57 2bm8 s ASP 118 Ca 0.03 -0.17 0.24 0.00 0.43 0.00 0.00 52.55 53.07 2bm8 s ASP 118 Cb 0.08 0.55 0.39 0.00 -0.30 0.00 0.00 42.92 43.64 2bm8 s ASP 118 CO 0.57 -0.33 1.38 0.18 -0.17 0.00 0.00 175.17 176.80 2bm8 n LEU 119 N 5.33 2.90 0.00 -1.34 4.77 -1.26 -4.50 117.00 122.89 2bm8 n LEU 119 Ca -0.05 -1.08 0.05 0.00 -0.03 0.00 0.00 56.01 54.90 2bm8 n LEU 119 Cb 0.49 -0.09 0.23 0.00 -2.33 0.00 0.00 43.42 41.73 2bm8 n LEU 119 CO 0.07 0.54 0.66 -1.54 -1.33 0.00 0.00 177.39 175.79 2bm8 n SER 120 N 1.20 0.00 -0.73 -1.43 3.41 -1.26 -2.03 113.62 112.78 2bm8 n SER 120 Ca 0.16 0.42 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 2bm8 n SER 120 Cb 0.56 -0.45 0.17 0.00 -0.26 0.00 0.00 64.21 64.22 2bm8 n SER 120 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bm8 n ARG 121 N -1.45 1.87 -1.97 4.33 3.00 -1.26 -4.98 116.66 116.20 2bm8 n ARG 121 Ca 0.03 -1.47 -0.42 0.00 -0.01 0.00 0.00 57.85 55.98 2bm8 n ARG 121 Cb 0.11 -1.47 -0.03 0.00 0.00 0.00 0.00 32.46 31.08 2bm8 n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bm8 n GLN 123 N 4.38 1.94 -1.85 0.00 1.13 -0.41 -4.99 117.38 117.58 2bm8 n GLN 123 Ca 0.14 -1.69 -0.42 0.00 -1.94 0.00 0.00 57.00 53.09 2bm8 n GLN 123 Cb 0.40 -1.24 -0.03 0.00 0.11 0.00 0.00 30.24 29.47 2bm8 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bm8 s ILE 124 N -0.97 3.18 0.46 5.09 1.01 -1.25 -4.90 121.20 123.82 2bm8 s ILE 124 Ca 0.19 0.37 -0.24 0.00 0.00 0.00 0.00 60.65 60.97 2bm8 s ILE 124 Cb 0.11 -3.24 -0.09 0.00 0.01 0.00 0.00 42.46 39.25 2bm8 s ILE 124 CO 0.15 -0.02 1.17 -2.65 0.00 0.00 0.00 174.94 173.58 2bm8 n PRO 125 N 6.81 1.61 0.07 2.79 -0.02 -1.26 -4.85 135.00 140.15 2bm8 n PRO 125 Ca 0.18 0.58 0.17 0.00 -2.02 0.00 0.00 63.50 62.41 2bm8 n PRO 125 Cb 0.41 -2.28 0.68 0.00 -0.02 0.00 0.00 33.50 32.29 2bm8 n PRO 125 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bm8 h ALA 126 N 1.65 2.36 0.00 3.55 0.00 -2.01 -2.33 119.26 122.48 2bm8 h ALA 126 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2bm8 h ALA 126 Cb 1.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2bm8 h ALA 126 CO 0.58 -0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.00 2bm8 h SER 127 N 0.00 0.00 -2.20 0.00 4.64 -2.02 -3.34 113.55 110.63 2bm8 h SER 127 Ca 0.19 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.93 2bm8 h SER 127 Cb 0.75 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.46 2bm8 h SER 127 CO -0.00 0.00 -1.03 -0.90 -0.87 0.00 0.00 176.83 174.02 2bm8 n ASP 128 N -2.44 -0.14 -1.17 4.97 3.85 -0.87 -4.83 116.55 115.92 2bm8 n ASP 128 Ca 0.02 -2.53 0.08 0.00 -0.71 0.00 0.00 54.79 51.66 2bm8 n ASP 128 Cb 0.29 -0.59 0.28 0.00 -1.35 0.00 0.00 41.12 39.74 2bm8 n ASP 128 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 2bm8 n MET 129 N 2.16 3.29 -1.63 0.11 2.81 -1.26 -4.79 117.12 117.82 2bm8 n MET 129 Ca 0.26 -2.64 -0.48 0.00 -1.81 0.00 0.00 57.70 53.03 2bm8 n MET 129 Cb 0.50 -1.70 -0.04 0.00 -0.71 0.00 0.00 33.22 31.27 2bm8 n MET 129 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2bm8 n GLU 130 N 0.62 1.65 -2.22 0.03 2.13 -1.26 -2.18 120.64 119.41 2bm8 n GLU 130 Ca 0.21 0.59 -0.20 0.00 0.66 0.00 0.00 57.16 58.42 2bm8 n GLU 130 Cb 0.75 -2.23 -0.03 0.00 0.27 0.00 0.00 31.44 30.21 2bm8 n GLU 130 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2bm8 n ASN 131 N 2.48 -5.70 -4.05 4.31 3.02 -1.26 -4.98 115.26 109.09 2bm8 n ASN 131 Ca 0.15 0.11 -0.29 0.00 -0.03 0.00 0.00 54.58 54.52 2bm8 n ASN 131 Cb 0.26 -4.81 -0.17 0.00 -0.61 0.00 0.00 39.78 34.46 2bm8 n ASN 131 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2bm8 s ILE 132 N -2.95 1.58 -0.16 2.41 1.01 -0.93 -1.22 121.20 120.95 2bm8 s ILE 132 Ca 0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 2bm8 s ILE 132 Cb 0.00 -1.46 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 2bm8 s ILE 132 CO 0.00 0.46 -0.13 -0.89 0.00 0.00 0.00 174.94 174.38 2bm8 s THR 133 N 1.15 2.82 -0.03 2.92 2.01 -0.62 -5.00 115.64 118.89 2bm8 s THR 133 Ca -0.02 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.23 2bm8 s THR 133 Cb -0.14 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 2bm8 s THR 133 CO -0.05 0.50 0.14 -0.76 -0.69 0.00 0.00 174.62 173.77 2bm8 s LEU 134 N 0.87 4.23 -0.02 4.42 1.02 -1.26 -1.66 118.68 126.27 2bm8 s LEU 134 Ca -0.04 0.31 0.03 0.00 0.02 0.00 0.00 54.13 54.45 2bm8 s LEU 134 Cb -0.15 -2.41 0.00 0.00 0.02 0.00 0.00 46.19 43.65 2bm8 s LEU 134 CO -0.00 0.30 -0.09 -1.00 0.02 0.00 0.00 176.35 175.57 2bm8 s HIS 135 N -1.22 0.94 -0.16 0.29 3.76 -0.23 -4.96 115.29 113.71 2bm8 s HIS 135 Ca 0.23 -0.22 -0.06 0.00 -0.15 0.00 0.00 55.06 54.86 2bm8 s HIS 135 Cb -0.12 -0.66 -0.04 0.00 1.11 0.00 0.00 32.58 32.87 2bm8 s HIS 135 CO 0.14 -0.08 0.04 -1.14 -0.85 0.00 0.00 174.74 172.85 2bm8 s GLN 136 N 0.10 3.71 0.00 1.40 0.74 -1.26 -1.86 119.66 122.49 2bm8 s GLN 136 Ca -0.02 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.02 2bm8 s GLN 136 Cb -0.08 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 30.96 2bm8 s GLN 136 CO 0.00 0.38 0.00 0.41 -0.55 0.00 0.00 175.29 175.53 2bm8 n GLY 137 N 3.18 1.91 3.65 2.59 0.00 -0.97 -4.98 105.19 110.58 2bm8 n GLY 137 Ca -0.17 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2bm8 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bm8 s ASP 138 N 0.00 6.37 0.00 1.61 2.15 -1.26 -3.05 116.67 122.49 2bm8 s ASP 138 Ca 0.00 2.38 0.22 0.00 0.43 0.00 0.00 52.55 55.58 2bm8 s ASP 138 Cb 0.00 -2.53 1.10 0.00 -0.30 0.00 0.00 42.92 41.19 2bm8 s ASP 138 CO 0.00 -1.15 1.72 0.00 -0.17 0.00 0.00 175.17 175.57 2bm8 n SER 140 N -1.31 2.00 -4.69 0.00 3.41 -1.26 -4.79 113.62 106.97 2bm8 n SER 140 Ca 0.10 0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.44 2bm8 n SER 140 Cb 0.19 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 2bm8 n SER 140 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bm8 s ASP 141 N -6.87 7.05 0.57 4.04 2.15 -1.04 -4.82 116.67 117.74 2bm8 s ASP 141 Ca -0.24 1.86 0.28 0.00 0.43 0.00 0.00 52.55 54.89 2bm8 s ASP 141 Cb 0.07 -2.56 1.69 0.00 -0.30 0.00 0.00 42.92 41.82 2bm8 s ASP 141 CO 0.74 -0.57 2.20 -0.07 -0.17 0.00 0.00 175.17 177.30 2bm8 h LEU 142 N 7.98 0.00 -1.12 -1.34 3.38 -1.92 -2.75 115.31 119.53 2bm8 h LEU 142 Ca -0.36 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.82 2bm8 h LEU 142 Cb 1.17 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.82 2bm8 h LEU 142 CO 0.87 0.04 0.62 0.74 0.09 0.00 0.00 178.44 180.79 2bm8 h THR 143 N 0.00 0.68 -0.94 0.22 2.02 -1.92 -1.18 112.91 111.79 2bm8 h THR 143 Ca -0.00 -0.23 0.17 0.00 0.77 0.00 0.00 66.41 67.12 2bm8 h THR 143 Cb 0.09 -0.05 -0.10 0.00 -1.74 0.00 0.00 68.15 66.35 2bm8 h THR 143 CO 0.00 0.12 0.54 0.74 0.37 0.00 0.00 175.52 177.30 2bm8 h THR 144 N 0.66 0.73 0.00 3.16 2.02 -1.76 -2.00 112.91 115.72 2bm8 h THR 144 Ca 0.57 -0.25 -0.16 0.00 0.77 0.00 0.00 66.41 67.34 2bm8 h THR 144 Cb 1.02 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2bm8 h THR 144 CO -0.35 0.13 -1.19 -0.26 0.37 0.00 0.00 175.52 174.23 2bm8 h PHE 145 N 0.73 0.00 0.00 3.16 -1.00 -1.44 -3.26 116.94 115.12 2bm8 h PHE 145 Ca 0.53 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.31 2bm8 h PHE 145 Cb 0.77 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.33 2bm8 h PHE 145 CO -0.04 0.59 0.00 0.39 -1.61 0.00 0.00 178.31 177.64 2bm8 n GLU 146 N -2.99 0.21 0.00 1.51 1.02 -0.91 -2.44 120.64 117.04 2bm8 n GLU 146 Ca -0.07 0.28 0.13 0.00 -0.02 0.00 0.00 57.16 57.48 2bm8 n GLU 146 Cb 0.83 -1.80 0.41 0.00 -0.02 0.00 0.00 31.44 30.86 2bm8 n GLU 146 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2bm8 n HIS 147 N -2.18 0.00 -2.63 -0.32 8.25 -0.80 -4.92 115.22 112.62 2bm8 n HIS 147 Ca 0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.14 2bm8 n HIS 147 Cb 0.34 -0.14 -0.05 0.00 1.12 0.00 0.00 29.99 31.27 2bm8 n HIS 147 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2bm8 s LEU 148 N -2.51 4.16 0.00 2.41 2.01 -1.02 -5.06 118.68 118.67 2bm8 s LEU 148 Ca 0.25 1.95 -0.02 0.00 0.01 0.00 0.00 54.13 56.32 2bm8 s LEU 148 Cb 0.19 -4.19 0.10 0.00 0.01 0.00 0.00 46.19 42.30 2bm8 s LEU 148 CO 0.52 -0.38 0.68 0.54 1.01 0.00 0.00 176.35 178.72 2bm8 n ARG 149 N -0.00 -0.01 -2.24 1.70 5.12 -1.26 -5.04 116.66 114.93 2bm8 n ARG 149 Ca 0.05 -1.69 -0.41 0.00 -1.93 0.00 0.00 57.85 53.86 2bm8 n ARG 149 Cb 0.50 -0.50 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 2bm8 n ARG 149 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2bm8 s GLU 150 N -4.27 4.40 0.10 5.56 2.12 -1.26 -5.04 118.70 120.31 2bm8 s GLU 150 Ca 0.44 2.03 0.08 0.00 0.36 0.00 0.00 54.97 57.88 2bm8 s GLU 150 Cb -0.02 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 2bm8 s GLU 150 CO 0.29 -0.24 -0.20 -1.64 -0.54 0.00 0.00 175.26 172.93 2bm8 s MET 151 N -0.09 1.10 0.66 4.30 -1.94 -1.26 -5.15 119.30 116.92 2bm8 s MET 151 Ca 0.56 -1.14 -0.12 0.00 -1.71 0.00 0.00 55.69 53.28 2bm8 s MET 151 Cb -0.36 -1.34 -0.01 0.00 2.01 0.00 0.00 34.83 35.13 2bm8 s MET 151 CO 0.38 0.31 1.05 0.00 -0.01 0.00 0.00 175.02 176.75 2bm8 s ALA 152 N -1.17 2.77 0.17 3.03 0.00 -1.26 -5.06 121.76 120.25 2bm8 s ALA 152 Ca 0.06 0.11 0.10 0.00 0.00 0.00 0.00 51.96 52.23 2bm8 s ALA 152 Cb -0.10 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 2bm8 s ALA 152 CO 0.04 -1.03 -0.21 -1.01 0.00 0.00 0.00 175.76 173.55 2bm8 s HIS 153 N -2.95 2.04 1.01 0.00 3.76 -1.26 -3.83 115.29 114.05 2bm8 s HIS 153 Ca 0.58 -0.41 -0.12 0.00 -0.15 0.00 0.00 55.06 54.96 2bm8 s HIS 153 Cb -0.14 -1.02 0.19 0.00 1.11 0.00 0.00 32.58 32.72 2bm8 s HIS 153 CO 0.51 0.40 1.08 -2.14 -0.85 0.00 0.00 174.74 173.74 2bm8 s PRO 154 N -2.66 0.36 -0.08 8.40 0.02 -1.26 -4.48 135.00 135.30 2bm8 s PRO 154 Ca 0.17 0.64 -0.04 0.00 0.02 0.00 0.00 61.00 61.78 2bm8 s PRO 154 Cb -0.07 -1.72 0.03 0.00 0.02 0.00 0.00 34.50 32.76 2bm8 s PRO 154 CO 0.08 -2.81 0.18 -1.17 -0.33 0.00 0.00 177.00 172.95 2bm8 s LEU 155 N -6.54 0.83 -0.16 -5.54 0.20 -1.26 -0.77 118.68 105.44 2bm8 s LEU 155 Ca 0.65 0.38 -0.02 0.00 0.69 0.00 0.00 54.13 55.83 2bm8 s LEU 155 Cb -0.20 0.54 -0.02 0.00 -0.43 0.00 0.00 46.19 46.09 2bm8 s LEU 155 CO 0.59 -0.13 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.80 2bm8 s ILE 156 N 0.85 3.30 -0.18 6.68 1.01 -0.83 -1.52 121.20 130.50 2bm8 s ILE 156 Ca -0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 2bm8 s ILE 156 Cb -0.08 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.97 2bm8 s ILE 156 CO -0.05 0.49 -0.13 0.12 0.00 0.00 0.00 174.94 175.37 2bm8 s PHE 157 N 0.63 2.83 -0.15 3.97 5.36 -0.69 -0.61 117.98 129.32 2bm8 s PHE 157 Ca -0.05 -1.20 0.02 0.00 -0.96 0.00 0.00 56.93 54.74 2bm8 s PHE 157 Cb -0.15 -1.96 0.01 0.00 -0.34 0.00 0.00 43.02 40.58 2bm8 s PHE 157 CO 0.03 -0.60 -0.20 0.42 -1.46 0.00 0.00 175.22 173.41 2bm8 s ILE 158 N 1.15 2.18 -0.32 3.12 1.01 -0.03 -0.36 121.20 127.95 2bm8 s ILE 158 Ca 0.01 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.56 2bm8 s ILE 158 Cb -0.14 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 2bm8 s ILE 158 CO -0.05 0.54 0.48 -0.62 0.00 0.00 0.00 174.94 175.29 2bm8 s ASP 159 N 0.92 6.31 -0.07 3.58 3.68 0.62 -1.27 116.67 130.45 2bm8 s ASP 159 Ca -0.04 0.08 0.11 0.00 2.13 0.00 0.00 52.55 54.82 2bm8 s ASP 159 Cb -0.15 -2.26 0.16 0.00 -1.45 0.00 0.00 42.92 39.23 2bm8 s ASP 159 CO -0.04 -0.40 1.07 0.59 0.13 0.00 0.00 175.17 176.52 2bm8 n ASN 160 N 5.63 2.02 -0.02 -0.34 3.02 -0.08 -2.32 115.26 123.16 2bm8 n ASN 160 Ca -0.06 -2.58 -0.03 0.00 -0.03 0.00 0.00 54.58 51.89 2bm8 n ASN 160 Cb 0.49 -0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.40 2bm8 n ASN 160 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bm8 n ALA 161 N -0.98 2.25 -2.95 5.41 0.00 -1.17 -4.73 120.51 118.34 2bm8 n ALA 161 Ca 0.09 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 2bm8 n ALA 161 Cb 0.50 0.44 0.03 0.00 0.00 0.00 0.00 19.45 20.42 2bm8 n ALA 161 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2bm8 n HIS 162 N -2.81 -1.25 -4.51 0.00 8.25 -1.26 -5.03 115.22 108.62 2bm8 n HIS 162 Ca -0.06 0.43 -0.23 0.00 -0.26 0.00 0.00 57.72 57.60 2bm8 n HIS 162 Cb 0.56 -2.78 -0.16 0.00 1.12 0.00 0.00 29.99 28.73 2bm8 n HIS 162 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bm8 s ALA 163 N -3.11 1.12 -1.39 -1.41 0.00 -1.26 -4.74 121.76 110.98 2bm8 s ALA 163 Ca 0.25 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.76 2bm8 s ALA 163 Cb -0.11 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.57 2bm8 s ALA 163 CO 0.31 0.12 0.56 -1.71 0.00 0.00 0.00 175.76 175.03 2bm8 n ASN 164 N 3.69 -4.58 0.16 0.00 5.15 -1.26 -4.43 115.26 113.98 2bm8 n ASN 164 Ca -0.22 -0.38 0.03 0.00 -0.60 0.00 0.00 54.58 53.41 2bm8 n ASN 164 Cb 0.52 -3.74 0.39 0.00 -0.53 0.00 0.00 39.78 36.42 2bm8 n ASN 164 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 2bm8 h THR 165 N -1.18 1.20 -0.00 -0.44 2.02 -1.93 -2.69 112.91 109.89 2bm8 h THR 165 Ca -0.47 -0.92 -0.23 0.00 0.77 0.00 0.00 66.41 65.56 2bm8 h THR 165 Cb 1.32 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2bm8 h THR 165 CO 0.55 0.27 -0.94 -0.26 0.37 0.00 0.00 175.52 175.52 2bm8 h PHE 166 N 0.12 0.63 0.00 3.16 -1.00 -1.99 -0.78 116.94 117.07 2bm8 h PHE 166 Ca 0.02 -0.34 -0.09 0.00 2.81 0.00 0.00 57.97 60.38 2bm8 h PHE 166 Cb 0.46 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 2bm8 h PHE 166 CO 0.00 1.16 -0.41 -0.91 -1.61 0.00 0.00 178.31 176.54 2bm8 h ASN 167 N 0.24 0.00 0.29 2.17 2.35 -1.93 -1.23 115.58 117.47 2bm8 h ASN 167 Ca -0.08 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.48 2bm8 h ASN 167 Cb 1.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.94 2bm8 h ASN 167 CO 0.16 0.41 -0.75 0.40 -1.65 0.00 0.00 177.43 176.01 2bm8 h ILE 168 N 0.00 1.39 -0.59 2.81 2.04 -1.28 -0.77 117.51 121.10 2bm8 h ILE 168 Ca -0.00 -2.18 -0.08 0.00 1.00 0.00 0.00 64.86 63.59 2bm8 h ILE 168 Cb 0.75 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 2bm8 h ILE 168 CO 0.05 0.65 0.05 0.24 0.00 0.00 0.00 178.15 179.15 2bm8 h MET 169 N 0.26 0.98 0.19 2.37 2.86 -0.91 -0.49 114.93 120.19 2bm8 h MET 169 Ca -0.03 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 2bm8 h MET 169 Cb 1.33 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2bm8 h MET 169 CO 0.13 0.94 -0.09 -0.22 1.06 0.00 0.00 176.91 178.72 2bm8 h LYS 170 N 0.91 -0.25 -0.71 1.72 3.64 -1.10 -0.44 116.57 120.35 2bm8 h LYS 170 Ca 0.18 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 2bm8 h LYS 170 Cb 0.46 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 2bm8 h LYS 170 CO 0.02 -0.01 0.41 2.35 -2.27 0.00 0.00 179.45 179.94 2bm8 h TRP 171 N -0.45 0.75 -0.14 1.91 7.01 -1.07 -1.19 115.95 122.77 2bm8 h TRP 171 Ca -0.03 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 2bm8 h TRP 171 Cb 0.35 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 2bm8 h TRP 171 CO -0.01 0.37 -0.33 0.00 -2.79 0.00 0.00 178.44 175.68 2bm8 h ALA 172 N 1.35 1.19 -0.12 2.65 0.00 -0.91 -0.42 119.26 122.99 2bm8 h ALA 172 Ca 0.31 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 2bm8 h ALA 172 Cb 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2bm8 h ALA 172 CO -0.17 0.54 -0.70 0.28 0.00 0.00 0.00 179.25 179.19 2bm8 h VAL 173 N 0.24 1.31 0.00 0.00 2.07 -0.56 0.31 116.25 119.62 2bm8 h VAL 173 Ca 0.03 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.61 2bm8 h VAL 173 Cb 0.70 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2bm8 h VAL 173 CO 0.05 0.60 0.00 0.44 0.02 0.00 0.00 177.57 178.69 2bm8 h ASP 174 N 0.37 0.00 0.00 0.57 3.32 -0.99 -3.41 116.42 116.29 2bm8 h ASP 174 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2bm8 h ASP 174 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2bm8 h ASP 174 CO 0.14 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 179.07 2bm8 n HIS 175 N -2.89 0.00 0.14 4.55 8.25 -0.19 -5.00 115.22 120.08 2bm8 n HIS 175 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2bm8 n HIS 175 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2bm8 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2bm8 n LEU 176 N -0.04 -0.09 -4.70 2.41 7.94 -0.73 -5.01 117.00 116.78 2bm8 n LEU 176 Ca 0.00 0.47 -0.42 0.00 -1.11 0.00 0.00 56.01 54.95 2bm8 n LEU 176 Cb 0.12 0.36 -0.03 0.00 0.53 0.00 0.00 43.42 44.40 2bm8 n LEU 176 CO 0.00 -0.79 1.26 -0.76 -1.11 0.00 0.00 177.39 175.99 2bm8 s LEU 177 N -6.97 4.36 0.47 -1.96 1.43 0.10 -5.02 118.68 111.10 2bm8 s LEU 177 Ca 0.00 2.48 0.07 0.00 -1.03 0.00 0.00 54.13 55.66 2bm8 s LEU 177 Cb 0.00 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.66 2bm8 s LEU 177 CO 0.00 -0.83 0.45 -1.61 0.23 0.00 0.00 176.35 174.58 2bm8 s GLU 178 N 2.02 2.43 0.18 1.70 2.02 -1.26 -4.89 118.70 120.90 2bm8 s GLU 178 Ca 0.71 -1.68 -0.32 0.00 0.02 0.00 0.00 54.97 53.70 2bm8 s GLU 178 Cb -0.40 -2.34 -0.12 0.00 0.10 0.00 0.00 34.13 31.37 2bm8 s GLU 178 CO 0.31 -0.41 1.76 -1.91 0.02 0.00 0.00 175.26 175.03 2bm8 n GLU 179 N -1.71 2.76 0.00 1.61 4.07 -1.26 -1.94 120.64 124.17 2bm8 n GLU 179 Ca 0.04 1.00 0.00 0.00 -0.06 0.00 0.00 57.16 58.14 2bm8 n GLU 179 Cb 0.62 -2.86 0.00 0.00 -0.06 0.00 0.00 31.44 29.14 2bm8 n GLU 179 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2bm8 n GLY 180 N 4.03 1.77 3.77 8.31 0.00 -0.58 -4.99 105.19 117.50 2bm8 n GLY 180 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2bm8 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bm8 s ASP 181 N -1.76 7.19 0.26 1.61 1.01 -0.82 -4.70 116.67 119.46 2bm8 s ASP 181 Ca 0.00 2.10 -0.10 0.00 0.71 0.00 0.00 52.55 55.26 2bm8 s ASP 181 Cb 0.00 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 2bm8 s ASP 181 CO 0.00 -0.19 0.59 -0.31 0.21 0.00 0.00 175.17 175.48 2bm8 s TYR 182 N -1.37 3.43 -0.18 4.23 1.51 -0.58 -1.49 117.35 122.90 2bm8 s TYR 182 Ca 0.49 0.91 -0.02 0.00 -1.01 0.00 0.00 57.07 57.44 2bm8 s TYR 182 Cb -0.26 -2.30 0.05 0.00 -0.11 0.00 0.00 41.96 39.34 2bm8 s TYR 182 CO 0.33 0.20 0.01 0.12 -1.11 0.00 0.00 175.55 175.10 2bm8 s PHE 183 N -1.92 1.25 -0.20 2.71 5.36 0.18 -1.70 117.98 123.65 2bm8 s PHE 183 Ca 0.48 -0.91 0.01 0.00 -0.96 0.00 0.00 56.93 55.55 2bm8 s PHE 183 Cb -0.11 -1.11 0.02 0.00 -0.34 0.00 0.00 43.02 41.49 2bm8 s PHE 183 CO 0.22 -0.60 -0.16 0.42 -1.46 0.00 0.00 175.22 173.65 2bm8 s ILE 184 N 1.78 2.27 -0.48 3.12 1.01 0.51 -2.38 121.20 127.03 2bm8 s ILE 184 Ca -0.01 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.47 2bm8 s ILE 184 Cb -0.16 -2.03 0.06 0.00 0.01 0.00 0.00 42.46 40.33 2bm8 s ILE 184 CO -0.07 0.42 0.50 -0.63 0.00 0.00 0.00 174.94 175.15 2bm8 s ILE 185 N 1.28 5.07 0.27 2.92 1.01 -0.36 -0.27 121.20 131.11 2bm8 s ILE 185 Ca 0.03 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 2bm8 s ILE 185 Cb -0.14 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.04 2bm8 s ILE 185 CO -0.10 -0.66 1.00 -1.61 0.00 0.00 0.00 174.94 173.56 2bm8 s GLU 186 N 2.10 4.73 0.00 2.79 2.02 -0.98 -4.51 118.70 124.85 2bm8 s GLU 186 Ca 0.09 1.58 0.00 0.00 0.02 0.00 0.00 54.97 56.66 2bm8 s GLU 186 Cb -0.22 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.85 2bm8 s GLU 186 CO 0.09 0.36 0.00 -0.25 0.02 0.00 0.00 175.26 175.49 2bm8 n ASP 187 N 1.22 0.00 0.04 -0.19 8.00 0.58 -4.58 116.55 121.62 2bm8 n ASP 187 Ca -0.01 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.48 2bm8 n ASP 187 Cb 0.47 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.49 2bm8 n ASP 187 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2bm8 h MET 188 N 0.00 0.00 -0.30 -1.24 4.05 -1.87 -3.38 114.93 112.19 2bm8 h MET 188 Ca 0.00 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 2bm8 h MET 188 Cb 0.00 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 2bm8 h MET 188 CO 0.00 0.38 0.03 0.82 0.23 0.00 0.00 176.91 178.37 2bm8 h ILE 189 N 0.00 0.81 -0.07 1.77 2.04 -1.81 -0.42 117.51 119.83 2bm8 h ILE 189 Ca -0.15 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.69 2bm8 h ILE 189 Cb 1.64 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2bm8 h ILE 189 CO 0.06 0.02 0.07 -0.65 0.00 0.00 0.00 178.15 177.65 2bm8 h PRO 190 N 0.12 0.00 0.06 2.37 0.11 -1.83 -1.86 132.00 130.98 2bm8 h PRO 190 Ca 0.14 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.11 2bm8 h PRO 190 Cb 0.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.30 2bm8 h PRO 190 CO -0.22 0.00 -0.61 1.88 -0.21 0.00 0.00 178.00 178.84 2bm8 h TYR 191 N 0.00 0.50 -0.66 0.65 -1.99 -1.32 -2.82 116.97 111.32 2bm8 h TYR 191 Ca 0.03 -0.31 0.12 0.00 2.00 0.00 0.00 58.73 60.57 2bm8 h TYR 191 Cb 0.16 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 38.81 2bm8 h TYR 191 CO 0.00 1.18 0.45 -1.49 -0.00 0.00 0.00 178.16 178.30 2bm8 h TRP 192 N -0.32 0.45 -0.00 4.88 6.55 -1.06 -0.22 115.95 126.23 2bm8 h TRP 192 Ca -0.09 0.01 -0.18 0.00 0.95 0.00 0.00 58.89 59.58 2bm8 h TRP 192 Cb 1.39 -0.14 -0.02 0.00 -0.86 0.00 0.00 29.16 29.53 2bm8 h TRP 192 CO 0.18 0.20 -0.82 -0.92 -1.05 0.00 0.00 178.44 176.02 2bm8 h TYR 193 N 0.41 0.15 -0.24 0.49 3.20 -1.39 0.25 116.97 119.84 2bm8 h TYR 193 Ca 0.32 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 2bm8 h TYR 193 Cb 0.68 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2bm8 h TYR 193 CO -0.00 0.88 -0.03 -0.09 -1.64 0.00 0.00 178.16 177.28 2bm8 h ARG 194 N 0.06 0.44 0.01 1.82 9.65 -1.07 -3.04 114.38 122.25 2bm8 h ARG 194 Ca -0.03 -0.15 -0.30 0.00 -1.10 0.00 0.00 59.98 58.40 2bm8 h ARG 194 Cb 1.44 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.94 2bm8 h ARG 194 CO 0.12 0.64 -1.76 0.66 2.80 0.00 0.00 179.97 182.43 2bm8 n TYR 195 N -4.61 0.98 -3.18 2.20 0.53 -0.17 -4.52 117.16 108.40 2bm8 n TYR 195 Ca -0.04 0.34 -0.21 0.00 -1.02 0.00 0.00 57.90 56.97 2bm8 n TYR 195 Cb 0.27 -1.18 -0.05 0.00 -1.03 0.00 0.00 39.34 37.35 2bm8 n TYR 195 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2bm8 n ALA 196 N -2.60 2.12 -0.18 -0.72 0.00 0.07 -4.99 120.51 114.21 2bm8 n ALA 196 Ca -0.19 -3.34 0.09 0.00 0.00 0.00 0.00 53.44 50.00 2bm8 n ALA 196 Cb 1.06 -0.88 0.39 0.00 0.00 0.00 0.00 19.45 20.02 2bm8 n ALA 196 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bm8 h PRO 197 N 3.54 0.64 0.16 0.00 0.13 -1.66 -0.81 132.00 134.00 2bm8 h PRO 197 Ca 0.08 -0.04 -0.23 0.00 -0.87 0.00 0.00 66.00 64.94 2bm8 h PRO 197 Cb 0.93 -0.14 0.03 0.00 0.13 0.00 0.00 31.00 31.94 2bm8 h PRO 197 CO 0.47 0.42 -0.99 0.37 -0.23 0.00 0.00 178.00 178.04 2bm8 h GLN 198 N 0.66 0.39 -0.18 0.86 4.15 -1.93 -2.61 115.11 116.45 2bm8 h GLN 198 Ca 0.33 -0.64 -0.05 0.00 0.77 0.00 0.00 58.65 59.06 2bm8 h GLN 198 Cb 0.43 0.23 -0.00 0.00 0.21 0.00 0.00 27.48 28.35 2bm8 h GLN 198 CO -0.12 1.29 -0.09 -0.07 -1.93 0.00 0.00 178.83 177.91 2bm8 h LEU 199 N -0.18 0.40 -0.41 -2.39 3.38 -1.93 -1.62 115.31 112.56 2bm8 h LEU 199 Ca -0.17 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.44 2bm8 h LEU 199 Cb 1.77 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.36 2bm8 h LEU 199 CO 0.19 0.72 0.13 0.15 0.09 0.00 0.00 178.44 179.72 2bm8 h PHE 200 N 0.07 0.23 -0.72 1.13 3.57 -1.28 0.21 116.94 120.14 2bm8 h PHE 200 Ca 0.04 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.61 2bm8 h PHE 200 Cb 0.58 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 2bm8 h PHE 200 CO 0.07 0.08 0.42 0.77 -2.23 0.00 0.00 178.31 177.42 2bm8 h SER 201 N 0.28 0.66 -0.58 0.41 0.02 -1.41 0.61 113.55 113.55 2bm8 h SER 201 Ca 0.19 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 2bm8 h SER 201 Cb 0.19 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2bm8 h SER 201 CO -0.21 0.43 0.09 -0.08 -1.14 0.00 0.00 176.83 175.92 2bm8 h GLU 202 N 0.79 0.96 -0.09 3.45 4.81 -0.83 -2.05 114.58 121.63 2bm8 h GLU 202 Ca 0.31 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 2bm8 h GLU 202 Cb 0.15 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.42 2bm8 h GLU 202 CO -0.16 0.92 -0.40 1.88 -0.73 0.00 0.00 179.01 180.51 2bm8 h TYR 203 N 0.86 0.58 -0.43 0.92 0.99 -0.40 -2.44 116.97 117.04 2bm8 h TYR 203 Ca 0.17 -0.25 -0.13 0.00 2.00 0.00 0.00 58.73 60.53 2bm8 h TYR 203 Cb 0.43 -0.09 -0.01 0.00 1.00 0.00 0.00 36.73 38.05 2bm8 h TYR 203 CO 0.03 1.01 -0.23 1.25 -0.00 0.00 0.00 178.16 180.21 2bm8 h LEU 204 N -0.02 0.91 -1.87 3.88 6.46 -0.96 -2.96 115.31 120.75 2bm8 h LEU 204 Ca -0.03 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 2bm8 h LEU 204 Cb 1.05 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.73 2bm8 h LEU 204 CO 0.08 1.10 -0.03 1.23 -0.62 0.00 0.00 178.44 180.20 2bm8 h GLY 205 N 0.92 0.00 2.00 3.75 0.00 -1.34 -1.96 103.07 106.44 2bm8 h GLY 205 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2bm8 h GLY 205 CO 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.53 2bm8 h ALA 206 N 1.97 1.06 -0.62 3.60 0.00 -1.26 -2.78 119.26 121.23 2bm8 h ALA 206 Ca -0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2bm8 h ALA 206 Cb 0.38 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 2bm8 h ALA 206 CO 0.00 0.10 0.20 1.19 0.00 0.00 0.00 179.25 180.75 2bm8 n PHE 207 N -3.27 2.09 0.24 0.00 3.01 -0.74 -4.63 117.46 114.16 2bm8 n PHE 207 Ca -0.00 -1.00 0.12 0.00 1.01 0.00 0.00 57.45 57.58 2bm8 n PHE 207 Cb 0.29 -0.60 0.50 0.00 -0.01 0.00 0.00 39.48 39.66 2bm8 n PHE 207 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2bm8 h ARG 208 N 2.48 0.00 0.00 -1.08 0.11 -1.62 -1.21 114.38 113.05 2bm8 h ARG 208 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 2bm8 h ARG 208 Cb 2.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.15 2bm8 h ARG 208 CO 0.61 0.16 -0.20 -0.25 0.10 0.00 0.00 179.97 180.40 2bm8 n ASP 209 N -3.29 0.53 0.00 0.08 8.00 -1.26 -4.44 116.55 116.16 2bm8 n ASP 209 Ca 0.00 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2bm8 n ASP 209 Cb 0.41 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 2bm8 n ASP 209 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2bm8 n VAL 210 N -1.93 0.00 -4.32 2.53 0.24 -1.13 -4.90 118.33 108.82 2bm8 n VAL 210 Ca 0.05 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.16 2bm8 n VAL 210 Cb 0.40 0.01 -0.13 0.00 -1.47 0.00 0.00 33.84 32.64 2bm8 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2bm8 s LEU 211 N -2.41 2.18 0.11 1.34 1.43 -0.47 -3.99 118.68 116.86 2bm8 s LEU 211 Ca 0.00 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 2bm8 s LEU 211 Cb 0.00 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 2bm8 s LEU 211 CO 0.00 0.02 -0.18 -0.94 0.23 0.00 0.00 176.35 175.47 2bm8 s SER 212 N -1.16 2.31 -0.24 2.29 1.04 -0.56 -4.44 113.70 112.94 2bm8 s SER 212 Ca 0.01 -0.72 -0.29 0.00 0.48 0.00 0.00 55.95 55.43 2bm8 s SER 212 Cb -0.08 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.94 2bm8 s SER 212 CO 0.01 -0.02 1.06 -0.32 0.98 0.00 0.00 173.24 174.95 2bm8 s MET 213 N -2.14 4.23 -0.56 4.02 1.75 -1.26 -1.25 119.30 124.08 2bm8 s MET 213 Ca 0.07 1.32 -0.28 0.00 -1.25 0.00 0.00 55.69 55.55 2bm8 s MET 213 Cb -0.08 -3.66 0.02 0.00 2.84 0.00 0.00 34.83 33.95 2bm8 s MET 213 CO 0.04 -0.68 1.29 0.34 -0.65 0.00 0.00 175.02 175.36 2bm8 s ASP 214 N 1.31 6.33 0.14 1.11 -1.08 -0.54 -4.90 116.67 119.05 2bm8 s ASP 214 Ca 0.45 0.24 0.25 0.00 -0.52 0.00 0.00 52.55 52.96 2bm8 s ASP 214 Cb -0.15 -2.55 0.93 0.00 -1.46 0.00 0.00 42.92 39.70 2bm8 s ASP 214 CO 0.08 -1.55 1.77 0.23 0.52 0.00 0.00 175.17 176.21 2bm8 n MET 215 N 8.47 0.15 0.19 4.34 2.81 -1.26 -1.53 117.12 130.29 2bm8 n MET 215 Ca 0.11 0.21 0.05 0.00 -1.81 0.00 0.00 57.70 56.25 2bm8 n MET 215 Cb 0.49 -1.70 0.38 0.00 -0.71 0.00 0.00 33.22 31.67 2bm8 n MET 215 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2bm8 h LEU 216 N 0.00 0.00 0.00 4.03 5.85 -1.98 -3.35 115.31 119.87 2bm8 h LEU 216 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2bm8 h LEU 216 Cb 0.54 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2bm8 h LEU 216 CO 0.00 0.37 -1.36 -1.22 -0.34 0.00 0.00 178.44 175.89 2bm8 n TYR 217 N -3.80 0.00 0.18 1.25 0.53 -1.03 -4.77 117.16 109.52 2bm8 n TYR 217 Ca -0.01 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 56.90 2bm8 n TYR 217 Cb 0.44 -0.20 0.40 0.00 -1.03 0.00 0.00 39.34 38.95 2bm8 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2bm8 h ALA 218 N 0.56 1.48 -0.51 -0.72 0.00 -1.40 -2.04 119.26 116.63 2bm8 h ALA 218 Ca -0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2bm8 h ALA 218 Cb 0.60 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2bm8 h ALA 218 CO 0.00 0.39 0.04 0.09 0.00 0.00 0.00 179.25 179.77 2bm8 n ASN 219 N -4.19 5.06 -0.00 0.00 3.02 -1.26 -1.15 115.26 116.73 2bm8 n ASN 219 Ca -0.02 -3.02 0.10 0.00 -0.03 0.00 0.00 54.58 51.61 2bm8 n ASN 219 Cb 0.34 -0.66 -0.13 0.00 -0.61 0.00 0.00 39.78 38.72 2bm8 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bm8 n ALA 220 N 0.16 3.91 -3.04 5.41 0.00 -0.77 -4.94 120.51 121.24 2bm8 n ALA 220 Ca 0.28 -0.54 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 2bm8 n ALA 220 Cb 1.15 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 2bm8 n ALA 220 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bm8 s SER 221 N -3.51 -0.21 0.38 0.00 1.04 -1.26 -4.86 113.70 105.28 2bm8 s SER 221 Ca 0.02 -0.18 0.19 0.00 0.48 0.00 0.00 55.95 56.45 2bm8 s SER 221 Cb 0.15 0.42 0.71 0.00 0.10 0.00 0.00 66.02 67.39 2bm8 s SER 221 CO 0.85 -0.71 1.75 0.77 0.98 0.00 0.00 173.24 176.88 2bm8 h SER 222 N 2.85 0.00 0.42 7.02 4.64 -1.94 -1.39 113.55 125.14 2bm8 h SER 222 Ca -0.32 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.75 2bm8 h SER 222 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2bm8 h SER 222 CO 0.46 0.37 -1.04 1.56 -0.87 0.00 0.00 176.83 177.31 2bm8 h GLN 223 N 0.00 0.38 0.00 4.77 4.20 -1.97 -3.28 115.11 119.20 2bm8 h GLN 223 Ca -0.00 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2bm8 h GLN 223 Cb 0.87 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.79 2bm8 h GLN 223 CO 0.05 1.15 -0.59 1.28 -0.67 0.00 0.00 178.83 180.04 2bm8 n LEU 224 N -3.69 0.56 -1.02 1.46 4.77 -1.19 -0.31 117.00 117.60 2bm8 n LEU 224 Ca -0.08 0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.78 2bm8 n LEU 224 Cb 0.90 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.74 2bm8 n LEU 224 CO 0.52 0.09 0.41 -0.67 -1.33 0.00 0.00 177.39 176.41 2bm8 n ASP 225 N -1.65 0.18 -1.32 -1.43 -0.08 -0.53 -1.03 116.55 110.70 2bm8 n ASP 225 Ca 0.05 0.17 -0.17 0.00 -1.51 0.00 0.00 54.79 53.32 2bm8 n ASP 225 Cb 0.36 -0.21 -0.07 0.00 2.34 0.00 0.00 41.12 43.53 2bm8 n ASP 225 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2bm8 n ARG 226 N 1.76 -1.27 -0.40 -0.67 1.74 -0.30 -4.64 116.66 112.88 2bm8 n ARG 226 Ca 0.13 1.10 0.04 0.00 -0.77 0.00 0.00 57.85 58.35 2bm8 n ARG 226 Cb -0.01 -5.36 0.06 0.00 -1.02 0.00 0.00 32.46 26.13 2bm8 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bm8 n GLY 227 N -0.71 2.27 3.33 -0.13 0.00 -0.20 -4.96 105.19 104.79 2bm8 n GLY 227 Ca -0.17 -0.50 -0.46 0.00 0.00 0.00 0.00 46.02 44.89 2bm8 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bm8 s VAL 228 N -1.15 5.17 0.10 1.61 1.01 -1.25 -1.23 120.40 124.66 2bm8 s VAL 228 Ca 0.15 -1.51 0.03 0.00 0.00 0.00 0.00 61.98 60.65 2bm8 s VAL 228 Cb 0.13 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2bm8 s VAL 228 CO 0.00 -0.95 0.10 -0.76 0.00 0.00 0.00 175.10 173.49 2bm8 s LEU 229 N 1.68 3.83 0.17 3.92 1.43 -1.00 -1.46 118.68 127.24 2bm8 s LEU 229 Ca 0.07 -0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 2bm8 s LEU 229 Cb -0.26 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 2bm8 s LEU 229 CO 0.02 0.14 0.19 0.00 0.23 0.00 0.00 176.35 176.93 2bm8 s ARG 230 N -2.58 1.11 -1.20 1.70 1.70 -0.38 -0.65 118.95 118.66 2bm8 s ARG 230 Ca 0.30 -1.36 -0.16 0.00 -0.47 0.00 0.00 55.73 54.04 2bm8 s ARG 230 Cb -0.12 0.31 0.14 0.00 -0.57 0.00 0.00 34.95 34.72 2bm8 s ARG 230 CO 0.23 -0.37 1.48 0.50 -1.08 0.00 0.00 175.30 176.05 2bm8 s ARG 231 N -4.04 4.00 -0.16 3.89 3.00 -0.56 -1.49 118.95 123.59 2bm8 s ARG 231 Ca 0.24 -2.31 -0.15 0.00 -1.00 0.00 0.00 55.73 52.51 2bm8 s ARG 231 Cb 0.05 -5.17 0.04 0.00 0.00 0.00 0.00 34.95 29.87 2bm8 s ARG 231 CO 0.04 -1.90 0.43 0.08 0.00 0.00 0.00 175.30 173.95 2bm8 s VAL 232 N 2.43 -0.00 0.45 7.11 1.01 -1.26 -1.52 120.40 128.62 2bm8 s VAL 232 Ca 0.44 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.19 2bm8 s VAL 232 Cb -0.01 -0.61 -0.08 0.00 0.00 0.00 0.00 36.38 35.68 2bm8 s VAL 232 CO 0.01 0.00 1.16 0.00 0.00 0.00 0.00 175.10 176.27 2bm8 s ALA 233 N 0.26 3.00 -1.77 5.51 0.00 -1.26 -3.43 121.76 124.06 2bm8 s ALA 233 Ca -0.00 0.92 0.14 0.00 0.00 0.00 0.00 51.96 53.02 2bm8 s ALA 233 Cb -0.03 -3.38 0.11 0.00 0.00 0.00 0.00 23.12 19.83 2bm8 s ALA 233 CO 0.00 -0.62 0.95 0.00 0.00 0.00 0.00 175.76 176.09