#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2za8 s SER 10 N 0.00 5.74 0.43 2.98 1.04 -1.26 -4.89 113.70 117.74 2za8 s SER 10 Ca 0.00 1.85 0.18 0.00 0.48 0.00 0.00 55.95 58.46 2za8 s SER 10 Cb 0.00 -2.54 0.99 0.00 0.10 0.00 0.00 66.02 64.57 2za8 s SER 10 CO 0.00 -1.20 1.92 0.71 0.98 0.00 0.00 173.24 175.65 2za8 h THR 11 N 0.46 0.98 -0.22 2.02 1.35 -2.05 -0.92 112.91 114.53 2za8 h THR 11 Ca -0.47 -0.95 -0.06 0.00 -0.55 0.00 0.00 66.41 64.38 2za8 h THR 11 Cb 1.22 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.18 2za8 h THR 11 CO 0.57 0.25 -0.08 -0.33 -0.25 0.00 0.00 175.52 175.69 2za8 h GLU 12 N 0.00 0.45 -0.30 4.72 3.07 -1.99 -1.56 114.58 118.97 2za8 h GLU 12 Ca -0.00 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.36 58.62 2za8 h GLU 12 Cb 0.52 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 2za8 h GLU 12 CO 0.03 0.71 -0.02 0.28 -1.40 0.00 0.00 179.01 178.61 2za8 h VAL 13 N 0.17 1.26 -0.44 3.13 2.07 -1.88 -1.54 116.25 119.02 2za8 h VAL 13 Ca 0.05 -0.98 0.09 0.00 0.82 0.00 0.00 66.70 66.68 2za8 h VAL 13 Cb 0.55 1.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.56 2za8 h VAL 13 CO 0.03 0.32 -0.07 -0.08 0.02 0.00 0.00 177.57 177.78 2za8 h GLU 14 N 0.32 0.03 -0.50 1.57 4.81 -1.12 0.18 114.58 119.86 2za8 h GLU 14 Ca 0.08 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2za8 h GLU 14 Cb 0.47 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2za8 h GLU 14 CO 0.02 0.02 0.11 0.00 -0.73 0.00 0.00 179.01 178.43 2za8 h ALA 15 N 1.43 0.66 -0.62 2.92 0.00 -1.21 -2.19 119.26 120.26 2za8 h ALA 15 Ca 0.22 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2za8 h ALA 15 Cb 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2za8 h ALA 15 CO -0.43 0.37 0.19 0.00 0.00 0.00 0.00 179.25 179.38 2za8 h ALA 16 N 0.99 1.17 -0.56 0.00 0.00 -0.58 -0.88 119.26 119.40 2za8 h ALA 16 Ca 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2za8 h ALA 16 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2za8 h ALA 16 CO 0.00 0.58 0.21 0.28 0.00 0.00 0.00 179.25 180.32 2za8 h VAL 17 N 0.90 1.23 -0.85 0.00 2.07 -0.53 -0.13 116.25 118.95 2za8 h VAL 17 Ca 0.20 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 2za8 h VAL 17 Cb 0.27 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2za8 h VAL 17 CO -0.01 0.28 0.40 0.78 0.02 0.00 0.00 177.57 179.04 2za8 h ASN 18 N 0.77 1.11 -0.73 0.57 2.35 -0.80 -0.02 115.58 118.83 2za8 h ASN 18 Ca 0.19 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2za8 h ASN 18 Cb 0.23 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2za8 h ASN 18 CO -0.01 0.94 0.28 0.03 -1.65 0.00 0.00 177.43 177.01 2za8 h ARG 19 N 1.21 1.09 -0.45 0.81 3.08 -0.82 -2.29 114.38 117.01 2za8 h ARG 19 Ca 0.29 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 2za8 h ARG 19 Cb 0.12 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2za8 h ARG 19 CO -0.04 0.90 -0.12 1.25 -1.07 0.00 0.00 179.97 180.90 2za8 h LEU 20 N 1.05 0.81 -0.50 3.04 5.85 -0.45 -0.87 115.31 124.23 2za8 h LEU 20 Ca 0.24 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2za8 h LEU 20 Cb 0.23 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2za8 h LEU 20 CO -0.02 0.94 0.25 0.58 -0.34 0.00 0.00 178.44 179.85 2za8 h VAL 21 N 0.74 0.94 -0.54 1.05 2.07 -0.79 0.11 116.25 119.82 2za8 h VAL 21 Ca 0.12 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2za8 h VAL 21 Cb 0.61 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2za8 h VAL 21 CO 0.04 0.09 0.35 -1.13 0.02 0.00 0.00 177.57 176.94 2za8 h ASN 22 N 0.48 0.61 -0.61 0.57 -0.73 -0.84 -0.52 115.58 114.53 2za8 h ASN 22 Ca 0.23 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 2za8 h ASN 22 Cb 0.15 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 2za8 h ASN 22 CO -0.17 0.44 0.35 -0.07 -0.37 0.00 0.00 177.43 177.61 2za8 h LEU 23 N 0.72 0.75 -0.70 0.34 3.38 -0.67 0.73 115.31 119.85 2za8 h LEU 23 Ca 0.20 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2za8 h LEU 23 Cb -0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2za8 h LEU 23 CO -0.05 0.61 0.24 1.88 0.09 0.00 0.00 178.44 181.21 2za8 h TYR 24 N 0.83 1.11 -0.35 1.13 0.05 -0.55 -0.33 116.97 118.85 2za8 h TYR 24 Ca 0.22 -0.10 -0.12 0.00 0.05 0.00 0.00 58.73 58.77 2za8 h TYR 24 Cb 0.01 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.42 2za8 h TYR 24 CO -0.01 0.87 -0.29 -0.07 -1.05 0.00 0.00 178.16 177.61 2za8 h LEU 25 N 1.02 0.77 -0.82 3.88 3.38 -0.80 -0.51 115.31 122.22 2za8 h LEU 25 Ca 0.23 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2za8 h LEU 25 Cb 0.26 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2za8 h LEU 25 CO -0.01 1.01 0.53 0.03 0.09 0.00 0.00 178.44 180.09 2za8 h ARG 26 N 0.63 1.09 -0.51 1.13 3.08 -0.66 -0.78 114.38 118.37 2za8 h ARG 26 Ca 0.08 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2za8 h ARG 26 Cb 0.81 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2za8 h ARG 26 CO 0.07 0.73 0.05 0.00 -1.07 0.00 0.00 179.97 179.75 2za8 h ALA 27 N 1.29 0.68 -0.71 0.04 0.00 -0.71 -0.76 119.26 119.09 2za8 h ALA 27 Ca 0.30 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2za8 h ALA 27 Cb -0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 2za8 h ALA 27 CO -0.06 0.44 0.45 1.03 0.00 0.00 0.00 179.25 181.11 2za8 h SER 28 N 0.73 0.76 -0.75 0.00 0.87 -0.81 -0.35 113.55 113.99 2za8 h SER 28 Ca 0.15 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 2za8 h SER 28 Cb 0.44 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 2za8 h SER 28 CO 0.02 0.53 0.32 0.22 -0.53 0.00 0.00 176.83 177.39 2za8 h TYR 29 N 0.90 1.13 -0.48 2.24 3.20 -0.76 -0.70 116.97 122.48 2za8 h TYR 29 Ca 0.28 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2za8 h TYR 29 Cb -0.02 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 37.88 2za8 h TYR 29 CO -0.04 0.85 0.24 1.15 -1.64 0.00 0.00 178.16 178.73 2za8 h THR 30 N 1.08 1.18 -0.29 1.81 2.02 -0.55 -1.92 112.91 116.25 2za8 h THR 30 Ca 0.25 -0.50 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 2za8 h THR 30 Cb 0.18 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2za8 h THR 30 CO -0.02 0.20 -0.14 1.88 0.37 0.00 0.00 175.52 177.80 2za8 h TYR 31 N 0.63 0.54 -0.62 3.16 0.05 -0.67 0.22 116.97 120.28 2za8 h TYR 31 Ca 0.17 -0.09 0.04 0.00 0.05 0.00 0.00 58.73 58.90 2za8 h TYR 31 Cb 0.10 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.64 2za8 h TYR 31 CO -0.01 0.63 0.36 1.25 -1.05 0.00 0.00 178.16 179.33 2za8 h LEU 32 N 0.46 0.55 -0.28 3.88 5.85 -0.76 0.38 115.31 125.39 2za8 h LEU 32 Ca 0.08 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 2za8 h LEU 32 Cb 0.52 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2za8 h LEU 32 CO 0.03 0.37 -0.18 -1.28 -0.34 0.00 0.00 178.44 177.05 2za8 h SER 33 N 0.68 0.65 -0.34 1.25 0.87 -0.78 -1.72 113.55 114.17 2za8 h SER 33 Ca 0.27 -0.43 0.05 0.00 -1.23 0.00 0.00 61.79 60.45 2za8 h SER 33 Cb 0.11 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 61.84 2za8 h SER 33 CO -0.15 0.94 0.06 -0.07 -0.53 0.00 0.00 176.83 177.08 2za8 h LEU 34 N 0.36 -0.01 -0.01 2.23 3.38 -0.82 -1.17 115.31 119.27 2za8 h LEU 34 Ca 0.06 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2za8 h LEU 34 Cb 0.71 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2za8 h LEU 34 CO 0.05 0.03 -0.00 1.23 0.09 0.00 0.00 178.44 179.84 2za8 h GLY 35 N 0.17 0.01 2.00 0.83 0.00 -0.76 -2.57 103.07 102.75 2za8 h GLY 35 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 2za8 h GLY 35 CO -0.22 -0.00 -0.06 0.74 0.00 0.00 0.00 176.54 177.00 2za8 h PHE 36 N 0.00 0.00 -0.25 5.60 -1.00 -1.17 -2.11 116.94 118.02 2za8 h PHE 36 Ca 0.01 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 2za8 h PHE 36 Cb 0.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 2za8 h PHE 36 CO -0.09 0.06 0.05 -0.92 -1.61 0.00 0.00 178.31 175.80 2za8 h TYR 37 N 0.00 0.43 0.00 -0.55 3.20 -0.89 -2.92 116.97 116.24 2za8 h TYR 37 Ca -0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2za8 h TYR 37 Cb 0.63 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2za8 h TYR 37 CO 0.00 0.51 0.00 1.19 -1.64 0.00 0.00 178.16 178.22 2za8 n PHE 38 N -4.70 0.58 1.09 -3.82 3.72 -0.85 -2.00 117.46 111.48 2za8 n PHE 38 Ca -0.03 0.22 0.13 0.00 -0.05 0.00 0.00 57.45 57.72 2za8 n PHE 38 Cb 0.19 -0.85 0.50 0.00 -0.94 0.00 0.00 39.48 38.37 2za8 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2za8 n ASP 39 N -2.02 0.26 -4.75 4.37 2.03 -0.87 -1.68 116.55 113.88 2za8 n ASP 39 Ca 0.03 0.02 -0.39 0.00 0.52 0.00 0.00 54.79 54.97 2za8 n ASP 39 Cb 0.24 -0.16 0.03 0.00 -0.72 0.00 0.00 41.12 40.51 2za8 n ASP 39 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2za8 s ARG 40 N -2.88 3.30 0.57 -0.67 0.52 -0.85 -4.69 118.95 114.25 2za8 s ARG 40 Ca 0.16 2.23 0.32 0.00 -0.52 0.00 0.00 55.73 57.92 2za8 s ARG 40 Cb 0.19 -2.34 1.72 0.00 0.52 0.00 0.00 34.95 35.03 2za8 s ARG 40 CO 0.57 -1.06 2.16 0.38 0.02 0.00 0.00 175.30 177.37 2za8 h ASP 41 N 1.67 0.00 -0.55 0.23 2.03 -1.91 0.25 116.42 118.15 2za8 h ASP 41 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 2za8 h ASP 41 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 2za8 h ASP 41 CO 0.58 0.06 0.00 -0.90 -1.03 0.00 0.00 179.24 177.95 2za8 n ASP 42 N -3.48 3.11 0.04 4.15 3.85 -1.26 -4.42 116.55 118.53 2za8 n ASP 42 Ca -0.02 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 2za8 n ASP 42 Cb 0.18 -0.36 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 2za8 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 2za8 n VAL 43 N 1.21 0.88 -3.32 2.12 0.31 -0.57 -5.09 118.33 113.87 2za8 n VAL 43 Ca 0.20 0.29 -0.16 0.00 -0.01 0.00 0.00 64.34 64.66 2za8 n VAL 43 Cb 0.50 -1.40 0.08 0.00 -0.91 0.00 0.00 33.84 32.11 2za8 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2za8 n ALA 44 N -3.24 -2.33 -3.83 3.52 0.00 0.77 -4.98 120.51 110.42 2za8 n ALA 44 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 2za8 n ALA 44 Cb 0.00 -4.63 -0.13 0.00 0.00 0.00 0.00 19.45 14.68 2za8 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2za8 s LEU 45 N -5.73 3.60 0.27 0.00 1.43 -0.68 -5.00 118.68 112.57 2za8 s LEU 45 Ca 0.30 -2.94 -0.03 0.00 -1.03 0.00 0.00 54.13 50.43 2za8 s LEU 45 Cb -0.04 -1.35 0.35 0.00 0.03 0.00 0.00 46.19 45.18 2za8 s LEU 45 CO 0.74 -0.23 1.86 -0.33 0.23 0.00 0.00 176.35 178.62 2za8 h GLU 46 N 6.46 1.00 -0.68 1.70 4.39 -1.91 -1.00 114.58 124.54 2za8 h GLU 46 Ca -0.02 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.54 2za8 h GLU 46 Cb 0.89 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 2za8 h GLU 46 CO 0.60 0.80 0.45 0.78 -1.16 0.00 0.00 179.01 180.47 2za8 h GLY 47 N 1.06 0.96 0.80 -3.84 0.00 -1.81 0.28 103.07 100.51 2za8 h GLY 47 Ca 0.24 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 2za8 h GLY 47 CO -0.03 0.35 -0.35 -2.08 0.00 0.00 0.00 176.54 174.43 2za8 h VAL 48 N 0.92 1.37 -0.33 4.60 2.07 -1.60 -1.66 116.25 121.62 2za8 h VAL 48 Ca 0.25 -1.66 0.07 0.00 0.82 0.00 0.00 66.70 66.19 2za8 h VAL 48 Cb -0.09 2.11 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 2za8 h VAL 48 CO -0.06 0.49 -0.16 0.00 0.02 0.00 0.00 177.57 177.87 2za8 h HIS 50 N -0.10 1.00 -0.23 0.00 3.86 -0.96 -0.85 115.15 117.86 2za8 h HIS 50 Ca 0.17 -0.23 0.05 0.00 -1.16 0.00 0.00 60.37 59.20 2za8 h HIS 50 Cb 0.36 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.54 2za8 h HIS 50 CO -0.37 1.00 -0.09 0.35 0.86 0.00 0.00 177.93 179.69 2za8 h PHE 51 N 0.76 -0.20 -0.10 2.45 3.57 -1.02 -0.02 116.94 122.39 2za8 h PHE 51 Ca 0.10 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.45 2za8 h PHE 51 Cb 0.75 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 2za8 h PHE 51 CO 0.04 -0.14 -0.69 0.74 -2.23 0.00 0.00 178.31 176.03 2za8 h PHE 52 N -0.05 0.58 -0.33 0.41 0.05 -1.21 -2.45 116.94 113.94 2za8 h PHE 52 Ca 0.12 -0.25 -0.09 0.00 3.82 0.00 0.00 57.97 61.57 2za8 h PHE 52 Cb 0.23 -0.09 -0.02 0.00 2.00 0.00 0.00 35.95 38.07 2za8 h PHE 52 CO -0.26 0.99 -0.17 0.00 -0.18 0.00 0.00 178.31 178.70 2za8 h ARG 53 N 0.31 0.60 -0.69 1.51 3.08 -0.87 -0.15 114.38 118.17 2za8 h ARG 53 Ca -0.02 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 2za8 h ARG 53 Cb 1.26 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 2za8 h ARG 53 CO 0.12 0.74 0.39 0.93 -1.07 0.00 0.00 179.97 181.08 2za8 h GLU 54 N 0.54 0.95 -0.28 0.04 5.08 -0.96 -2.47 114.58 117.48 2za8 h GLU 54 Ca 0.09 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 2za8 h GLU 54 Cb 0.59 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2za8 h GLU 54 CO 0.04 0.70 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.57 2za8 h LEU 55 N 0.94 0.46 -0.68 1.33 3.38 -0.92 -1.29 115.31 118.53 2za8 h LEU 55 Ca 0.24 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.12 2za8 h LEU 55 Cb 0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2za8 h LEU 55 CO -0.04 0.60 0.44 0.00 0.09 0.00 0.00 178.44 179.54 2za8 h ALA 56 N 1.45 0.87 -0.17 1.53 0.00 -0.65 -0.64 119.26 121.64 2za8 h ALA 56 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2za8 h ALA 56 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2za8 h ALA 56 CO 0.03 0.26 0.11 1.49 0.00 0.00 0.00 179.25 181.14 2za8 h GLU 57 N 0.90 0.23 -0.71 0.00 4.81 -1.03 -2.02 114.58 116.76 2za8 h GLU 57 Ca 0.25 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 2za8 h GLU 57 Cb -0.08 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 2za8 h GLU 57 CO -0.07 0.17 0.42 0.93 -0.73 0.00 0.00 179.01 179.73 2za8 h GLU 58 N 0.22 0.76 -0.32 1.92 4.39 -0.82 -0.58 114.58 120.15 2za8 h GLU 58 Ca 0.06 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 2za8 h GLU 58 Cb -0.00 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 2za8 h GLU 58 CO -0.01 0.50 -0.36 0.87 -1.16 0.00 0.00 179.01 178.85 2za8 h LYS 59 N 0.78 0.74 -0.66 2.33 1.79 -1.00 -1.12 116.57 119.44 2za8 h LYS 59 Ca 0.31 -0.37 -0.06 0.00 -2.18 0.00 0.00 60.65 58.35 2za8 h LYS 59 Cb 0.14 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 2za8 h LYS 59 CO -0.16 0.98 0.19 -0.09 -1.08 0.00 0.00 179.45 179.29 2za8 h ARG 60 N 0.61 1.04 -0.94 3.15 2.43 -1.01 -1.62 114.38 118.04 2za8 h ARG 60 Ca 0.06 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 59.01 2za8 h ARG 60 Cb 0.90 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.26 2za8 h ARG 60 CO 0.08 0.92 0.62 0.93 -1.51 0.00 0.00 179.97 181.01 2za8 h GLU 61 N 0.97 1.22 -0.49 0.20 5.08 -0.84 -0.70 114.58 120.02 2za8 h GLU 61 Ca 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2za8 h GLU 61 Cb 0.33 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2za8 h GLU 61 CO -0.00 0.81 0.31 0.78 -1.00 0.00 0.00 179.01 179.91 2za8 h GLY 62 N 1.26 0.70 0.77 -3.84 0.00 -0.76 -0.55 103.07 100.64 2za8 h GLY 62 Ca 0.35 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.44 2za8 h GLY 62 CO -0.08 0.27 0.30 0.00 0.00 0.00 0.00 176.54 177.03 2za8 h ALA 63 N 1.16 0.71 -0.63 3.60 0.00 -0.69 -1.28 119.26 122.13 2za8 h ALA 63 Ca 0.18 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2za8 h ALA 63 Cb -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2za8 h ALA 63 CO -0.04 -0.02 0.13 0.93 0.00 0.00 0.00 179.25 180.25 2za8 h GLU 64 N 0.58 1.00 -0.48 0.00 5.08 -0.74 -0.64 114.58 119.38 2za8 h GLU 64 Ca 0.23 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2za8 h GLU 64 Cb 0.10 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2za8 h GLU 64 CO -0.14 0.91 0.24 -0.09 -1.00 0.00 0.00 179.01 178.93 2za8 h ARG 65 N 0.95 0.69 -0.85 2.33 2.43 -0.82 -0.60 114.38 118.51 2za8 h ARG 65 Ca 0.20 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2za8 h ARG 65 Cb 0.38 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 2za8 h ARG 65 CO 0.01 0.57 0.56 -0.07 -1.51 0.00 0.00 179.97 179.53 2za8 h LEU 66 N 0.64 0.98 -0.67 3.80 3.38 -0.81 -1.23 115.31 121.40 2za8 h LEU 66 Ca 0.17 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2za8 h LEU 66 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2za8 h LEU 66 CO -0.02 0.71 0.00 -0.07 0.09 0.00 0.00 178.44 179.15 2za8 h LEU 67 N 1.16 1.02 -0.45 1.67 3.38 -0.73 0.13 115.31 121.48 2za8 h LEU 67 Ca 0.31 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2za8 h LEU 67 Cb -0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.33 2za8 h LEU 67 CO -0.07 1.06 0.14 0.50 0.09 0.00 0.00 178.44 180.17 2za8 h LYS 68 N 0.95 0.70 -0.43 1.13 3.64 -0.88 -2.16 116.57 119.52 2za8 h LYS 68 Ca 0.17 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2za8 h LYS 68 Cb 0.54 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2za8 h LYS 68 CO 0.03 0.67 0.19 1.98 -2.27 0.00 0.00 179.45 180.05 2za8 h MET 69 N 0.59 0.64 -0.42 1.90 4.05 -1.04 -0.46 114.93 120.20 2za8 h MET 69 Ca 0.15 -0.11 0.09 0.00 -0.28 0.00 0.00 59.70 59.54 2za8 h MET 69 Cb 0.26 -0.11 -0.08 0.00 -0.80 0.00 0.00 31.60 30.87 2za8 h MET 69 CO -0.01 0.58 -0.14 0.37 0.23 0.00 0.00 176.91 177.94 2za8 h GLN 70 N 0.56 -0.04 -0.60 0.39 5.75 -0.75 -0.63 115.11 119.78 2za8 h GLN 70 Ca 0.15 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.57 2za8 h GLN 70 Cb 0.17 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 2za8 h GLN 70 CO -0.01 -0.03 0.05 -0.91 -2.65 0.00 0.00 178.83 175.28 2za8 h ASN 71 N -0.04 0.96 -0.37 -0.69 2.35 -1.19 -0.13 115.58 116.48 2za8 h ASN 71 Ca 0.20 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2za8 h ASN 71 Cb 0.35 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2za8 h ASN 71 CO -0.45 0.99 0.24 1.56 -1.65 0.00 0.00 177.43 178.12 2za8 h GLN 72 N 0.93 0.47 -0.00 0.81 4.20 -0.02 -1.37 115.11 120.13 2za8 h GLN 72 Ca 0.18 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2za8 h GLN 72 Cb 0.47 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2za8 h GLN 72 CO 0.02 0.31 -0.18 0.54 -0.67 0.00 0.00 178.83 178.85 2za8 n ARG 73 N -4.48 0.15 -0.58 1.46 5.12 -0.35 -4.93 116.66 113.05 2za8 n ARG 73 Ca 0.03 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 2za8 n ARG 73 Cb 0.07 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 2za8 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2za8 n GLY 74 N 1.45 0.68 3.89 -0.13 0.00 -0.51 -4.84 105.19 105.73 2za8 n GLY 74 Ca 0.08 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2za8 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2za8 s GLY 75 N -2.21 1.60 -0.24 -0.02 0.00 -0.10 -4.99 107.32 101.35 2za8 s GLY 75 Ca 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 44.72 44.12 2za8 s GLY 75 CO 0.00 -0.09 -0.02 -1.60 0.00 0.00 0.00 173.10 171.39 2za8 s ARG 76 N -5.49 3.30 0.16 2.90 3.52 -1.26 -4.37 118.95 117.71 2za8 s ARG 76 Ca 0.61 -0.68 -0.31 0.00 -0.13 0.00 0.00 55.73 55.22 2za8 s ARG 76 Cb -0.11 -3.09 -0.09 0.00 -1.56 0.00 0.00 34.95 30.10 2za8 s ARG 76 CO 0.50 -0.25 1.43 0.00 -0.81 0.00 0.00 175.30 176.17 2za8 s ALA 77 N 1.48 3.63 -0.04 6.12 0.00 -1.26 -4.97 121.76 126.71 2za8 s ALA 77 Ca 0.05 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.23 2za8 s ALA 77 Cb -0.15 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.44 2za8 s ALA 77 CO -0.02 -0.66 -0.05 -0.51 0.00 0.00 0.00 175.76 174.51 2za8 s LEU 78 N 0.66 1.39 -0.00 0.00 1.43 -1.26 -5.14 118.68 115.76 2za8 s LEU 78 Ca 0.64 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 2za8 s LEU 78 Cb -0.39 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 2za8 s LEU 78 CO 0.34 -0.04 0.03 -0.36 0.23 0.00 0.00 176.35 176.56 2za8 s PHE 79 N 0.84 3.16 0.37 0.29 0.40 -1.26 -4.87 117.98 116.91 2za8 s PHE 79 Ca -0.12 0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.41 2za8 s PHE 79 Cb -0.14 -1.70 -0.07 0.00 0.51 0.00 0.00 43.02 41.62 2za8 s PHE 79 CO 0.01 0.50 -0.01 -0.65 0.70 0.00 0.00 175.22 175.77 2za8 s GLN 80 N -1.65 1.83 0.48 0.44 -1.52 -1.26 -5.11 119.66 112.87 2za8 s GLN 80 Ca 0.21 -2.00 -0.23 0.00 -1.95 0.00 0.00 55.36 51.39 2za8 s GLN 80 Cb -0.12 -1.47 -0.08 0.00 -0.22 0.00 0.00 33.01 31.12 2za8 s GLN 80 CO 0.12 -0.02 1.07 -0.25 -0.25 0.00 0.00 175.29 175.96 2za8 n ASP 81 N -0.84 1.48 -4.46 5.90 8.00 -1.26 -4.95 116.55 120.42 2za8 n ASP 81 Ca -0.05 0.98 -0.40 0.00 0.71 0.00 0.00 54.79 56.03 2za8 n ASP 81 Cb 0.66 -1.41 -0.11 0.00 -0.02 0.00 0.00 41.12 40.24 2za8 n ASP 81 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2za8 s LEU 82 N -1.36 4.57 0.40 0.64 1.43 -1.26 -5.07 118.68 118.04 2za8 s LEU 82 Ca 0.67 -0.67 -0.26 0.00 -1.03 0.00 0.00 54.13 52.83 2za8 s LEU 82 Cb -0.50 -2.08 -0.09 0.00 0.03 0.00 0.00 46.19 43.55 2za8 s LEU 82 CO 0.54 -0.30 1.33 0.00 0.23 0.00 0.00 176.35 178.15 2za8 s GLN 83 N 1.65 3.99 0.81 1.70 -2.07 -1.26 -4.98 119.66 119.48 2za8 s GLN 83 Ca 0.05 2.22 -0.12 0.00 -1.82 0.00 0.00 55.36 55.69 2za8 s GLN 83 Cb -0.18 -2.79 0.08 0.00 -1.09 0.00 0.00 33.01 29.03 2za8 s GLN 83 CO 0.08 -0.50 1.15 -1.59 -1.32 0.00 0.00 175.29 173.11 2za8 s LYS 84 N -2.21 1.79 0.92 9.60 -2.85 -1.26 -4.89 119.74 120.85 2za8 s LYS 84 Ca 0.56 1.50 -0.11 0.00 -1.00 0.00 0.00 55.97 56.92 2za8 s LYS 84 Cb -0.39 -1.82 0.13 0.00 -2.06 0.00 0.00 37.83 33.69 2za8 s LYS 84 CO 0.51 -2.04 1.05 -2.30 0.10 0.00 0.00 175.35 172.67 2za8 n PRO 85 N -3.48 -0.42 0.20 1.78 -0.02 -1.26 -4.90 135.00 126.89 2za8 n PRO 85 Ca 0.11 -0.06 0.14 0.00 -2.02 0.00 0.00 63.50 61.68 2za8 n PRO 85 Cb 0.52 -2.31 0.47 0.00 -0.02 0.00 0.00 33.50 32.16 2za8 n PRO 85 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2za8 h SER 86 N -1.82 0.00 -4.36 2.55 4.64 -1.97 -3.44 113.55 109.15 2za8 h SER 86 Ca -0.43 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.54 2za8 h SER 86 Cb 1.27 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.18 2za8 h SER 86 CO 0.40 0.00 -0.74 -1.10 -0.87 0.00 0.00 176.83 174.52 2za8 s GLN 87 N -3.37 0.85 -0.00 4.77 -0.21 -1.26 -5.04 119.66 115.40 2za8 s GLN 87 Ca 0.05 -1.12 0.19 0.00 0.02 0.00 0.00 55.36 54.51 2za8 s GLN 87 Cb 0.09 -0.63 -0.20 0.00 1.00 0.00 0.00 33.01 33.26 2za8 s GLN 87 CO 0.54 0.11 0.59 -0.25 -2.12 0.00 0.00 175.29 174.17 2za8 n ASP 88 N 0.72 0.42 -4.09 5.90 8.00 -1.26 -4.94 116.55 121.30 2za8 n ASP 88 Ca -0.17 0.18 -0.17 0.00 0.71 0.00 0.00 54.79 55.34 2za8 n ASP 88 Cb 0.57 0.93 -0.13 0.00 -0.02 0.00 0.00 41.12 42.47 2za8 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2za8 s GLU 89 N -3.07 0.69 -0.03 -1.24 2.02 -1.26 -4.99 118.70 110.82 2za8 s GLU 89 Ca -0.06 -0.68 0.04 0.00 0.02 0.00 0.00 54.97 54.29 2za8 s GLU 89 Cb 0.10 -0.61 0.08 0.00 0.10 0.00 0.00 34.13 33.80 2za8 s GLU 89 CO 0.84 0.14 1.05 0.91 0.02 0.00 0.00 175.26 178.22 2za8 n TRP 90 N 1.85 0.04 -3.15 1.61 7.02 -1.26 -5.09 117.44 118.46 2za8 n TRP 90 Ca -0.19 -0.60 0.00 0.00 -1.02 0.00 0.00 57.50 55.69 2za8 n TRP 90 Cb 0.55 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 2za8 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2za8 n GLY 91 N -0.62 1.41 3.98 6.99 0.00 -1.26 -3.48 105.19 112.22 2za8 n GLY 91 Ca 0.04 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 2za8 n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2za8 s THR 92 N 0.00 2.76 0.18 2.61 -4.23 -1.26 -4.90 115.64 110.81 2za8 s THR 92 Ca 0.00 -0.74 -0.14 0.00 -1.18 0.00 0.00 61.69 59.63 2za8 s THR 92 Cb 0.00 -3.01 0.12 0.00 1.34 0.00 0.00 72.50 70.96 2za8 s THR 92 CO 0.00 -0.00 1.68 0.74 -0.54 0.00 0.00 174.62 176.50 2za8 h THR 93 N 0.21 0.62 -0.72 3.99 2.02 -1.99 -0.81 112.91 116.23 2za8 h THR 93 Ca -0.42 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 2za8 h THR 93 Cb 1.29 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 2za8 h THR 93 CO 0.50 0.02 0.40 1.55 0.37 0.00 0.00 175.52 178.36 2za8 h PRO 94 N 0.11 1.00 -0.43 6.66 0.13 -1.95 -0.00 132.00 137.52 2za8 h PRO 94 Ca 0.24 -0.11 0.03 0.00 -0.87 0.00 0.00 66.00 65.30 2za8 h PRO 94 Cb 0.36 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.26 2za8 h PRO 94 CO -0.40 0.73 0.22 -0.44 -0.23 0.00 0.00 178.00 177.88 2za8 h ASP 95 N 1.01 0.33 -0.46 1.44 3.32 -1.58 -0.94 116.42 119.53 2za8 h ASP 95 Ca 0.26 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 2za8 h ASP 95 Cb 0.02 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2za8 h ASP 95 CO -0.04 0.24 -0.23 0.00 -1.72 0.00 0.00 179.24 177.48 2za8 h ALA 96 N 1.23 0.70 -0.38 3.45 0.00 -0.74 -1.52 119.26 121.99 2za8 h ALA 96 Ca 0.18 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2za8 h ALA 96 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2za8 h ALA 96 CO -0.12 0.67 -0.21 1.98 0.00 0.00 0.00 179.25 181.57 2za8 h MET 97 N 0.84 0.75 -0.40 0.00 1.85 -0.82 -0.26 114.93 116.89 2za8 h MET 97 Ca 0.11 -0.29 -0.00 0.00 -0.61 0.00 0.00 59.70 58.90 2za8 h MET 97 Cb 0.80 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.78 2za8 h MET 97 CO 0.07 0.90 0.25 0.87 -0.40 0.00 0.00 176.91 178.59 2za8 h LYS 98 N 0.66 0.53 -0.87 0.39 1.57 -1.04 -1.20 116.57 116.61 2za8 h LYS 98 Ca 0.10 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2za8 h LYS 98 Cb 0.70 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 2za8 h LYS 98 CO 0.05 0.38 0.57 0.00 -0.57 0.00 0.00 179.45 179.89 2za8 h ALA 99 N 1.12 1.11 -0.64 3.86 0.00 -0.94 -1.49 119.26 122.27 2za8 h ALA 99 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2za8 h ALA 99 Cb -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 2za8 h ALA 99 CO -0.03 0.49 0.19 0.00 0.00 0.00 0.00 179.25 179.90 2za8 h ALA 100 N 1.32 1.11 -0.40 0.00 0.00 -0.77 -1.07 119.26 119.45 2za8 h ALA 100 Ca 0.32 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2za8 h ALA 100 Cb -0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2za8 h ALA 100 CO -0.07 0.60 0.04 0.82 0.00 0.00 0.00 179.25 180.64 2za8 h ILE 101 N 0.95 1.25 -0.52 0.00 2.04 -0.72 -0.03 117.51 120.48 2za8 h ILE 101 Ca 0.21 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.16 2za8 h ILE 101 Cb 0.30 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2za8 h ILE 101 CO -0.01 0.31 0.33 0.58 0.00 0.00 0.00 178.15 179.37 2za8 h VAL 102 N 0.52 1.09 -0.13 1.67 2.07 -1.02 0.14 116.25 120.59 2za8 h VAL 102 Ca 0.12 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.43 2za8 h VAL 102 Cb 0.41 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2za8 h VAL 102 CO 0.01 0.12 -0.01 0.25 0.02 0.00 0.00 177.57 177.97 2za8 h LEU 103 N 0.66 -0.06 -0.68 2.57 5.85 -0.95 -1.31 115.31 121.38 2za8 h LEU 103 Ca 0.20 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.84 2za8 h LEU 103 Cb -0.03 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2za8 h LEU 103 CO -0.07 -0.01 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.55 2za8 h GLU 104 N 0.04 0.88 -0.43 1.25 4.39 -0.64 -0.84 114.58 119.22 2za8 h GLU 104 Ca 0.06 -0.32 -0.05 0.00 0.34 0.00 0.00 59.36 59.39 2za8 h GLU 104 Cb 0.08 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2za8 h GLU 104 CO -0.11 0.96 0.05 0.87 -1.16 0.00 0.00 179.01 179.62 2za8 h LYS 105 N 0.78 0.67 -0.47 2.33 1.57 -0.60 0.74 116.57 121.59 2za8 h LYS 105 Ca 0.12 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 2za8 h LYS 105 Cb 0.66 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2za8 h LYS 105 CO 0.05 0.66 -0.06 0.66 -0.57 0.00 0.00 179.45 180.18 2za8 h SER 106 N 0.65 0.87 -0.43 0.86 4.64 -0.73 -0.96 113.55 118.44 2za8 h SER 106 Ca 0.14 -0.34 -0.04 0.00 -0.47 0.00 0.00 61.79 61.09 2za8 h SER 106 Cb 0.33 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2za8 h SER 106 CO 0.01 1.00 0.13 -0.07 -0.87 0.00 0.00 176.83 177.03 2za8 h LEU 107 N 0.72 0.63 -0.73 5.97 3.38 -0.82 -1.66 115.31 122.80 2za8 h LEU 107 Ca 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2za8 h LEU 107 Cb 0.59 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2za8 h LEU 107 CO 0.04 0.67 0.47 -1.13 0.09 0.00 0.00 178.44 178.58 2za8 h ASN 108 N 0.56 0.85 -0.70 -0.43 -1.24 -0.75 0.16 115.58 114.02 2za8 h ASN 108 Ca 0.14 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.08 2za8 h ASN 108 Cb 0.27 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 2za8 h ASN 108 CO -0.00 0.62 0.31 -0.61 -1.29 0.00 0.00 177.43 176.46 2za8 h GLN 109 N 0.99 1.05 -0.77 6.67 5.75 -0.95 -0.61 115.11 127.23 2za8 h GLN 109 Ca 0.27 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.56 2za8 h GLN 109 Cb -0.10 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.23 2za8 h GLN 109 CO -0.06 0.83 0.32 0.00 -2.65 0.00 0.00 178.83 177.28 2za8 h ALA 110 N 1.31 1.12 -0.62 3.38 0.00 -0.53 0.34 119.26 124.26 2za8 h ALA 110 Ca 0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2za8 h ALA 110 Cb 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2za8 h ALA 110 CO -0.03 0.64 0.25 -0.07 0.00 0.00 0.00 179.25 180.04 2za8 h LEU 111 N 1.11 0.86 -0.83 0.00 3.38 -0.38 -1.02 115.31 118.42 2za8 h LEU 111 Ca 0.26 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2za8 h LEU 111 Cb 0.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2za8 h LEU 111 CO -0.02 0.79 -0.18 -0.07 0.09 0.00 0.00 178.44 179.05 2za8 h LEU 112 N 0.87 0.67 -0.45 1.67 3.38 -0.73 -0.03 115.31 120.69 2za8 h LEU 112 Ca 0.21 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2za8 h LEU 112 Cb 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2za8 h LEU 112 CO -0.02 0.86 -0.03 0.44 0.09 0.00 0.00 178.44 179.78 2za8 h ASP 113 N 0.60 0.80 -0.66 -0.43 3.32 -0.70 -0.35 116.42 119.00 2za8 h ASP 113 Ca 0.09 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 56.74 2za8 h ASP 113 Cb 0.64 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 2za8 h ASP 113 CO 0.05 0.93 0.08 0.25 -1.72 0.00 0.00 179.24 178.83 2za8 h LEU 114 N 0.65 1.07 -0.65 1.55 5.85 -0.94 -1.52 115.31 121.31 2za8 h LEU 114 Ca 0.12 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.60 2za8 h LEU 114 Cb 0.54 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2za8 h LEU 114 CO 0.03 1.08 0.40 -0.74 -0.34 0.00 0.00 178.44 178.87 2za8 h HIS 115 N 1.03 0.75 -0.85 1.25 2.76 -0.79 0.21 115.15 119.52 2za8 h HIS 115 Ca 0.20 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 2za8 h HIS 115 Cb 0.48 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.15 2za8 h HIS 115 CO 0.04 0.43 0.47 0.00 -1.30 0.00 0.00 177.93 177.57 2za8 h ALA 116 N 1.28 1.22 -0.25 5.26 0.00 -0.79 0.12 119.26 126.09 2za8 h ALA 116 Ca 0.26 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2za8 h ALA 116 Cb 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2za8 h ALA 116 CO -0.10 0.63 0.01 1.25 0.00 0.00 0.00 179.25 181.03 2za8 h LEU 117 N 1.19 0.43 -0.73 0.00 5.85 -0.60 -0.84 115.31 120.60 2za8 h LEU 117 Ca 0.30 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2za8 h LEU 117 Cb 0.02 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 2za8 h LEU 117 CO -0.05 0.63 0.46 1.23 -0.34 0.00 0.00 178.44 180.37 2za8 h GLY 118 N 0.23 1.06 0.99 3.75 0.00 -0.63 -1.29 103.07 107.17 2za8 h GLY 118 Ca 0.07 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.06 2za8 h GLY 118 CO 0.01 0.29 0.32 0.23 0.00 0.00 0.00 176.54 177.39 2za8 h SER 119 N 0.90 0.54 0.41 0.19 0.87 -0.57 0.24 113.55 116.13 2za8 h SER 119 Ca 0.29 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.79 2za8 h SER 119 Cb 0.02 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2za8 h SER 119 CO -0.11 0.39 -0.26 0.00 -0.53 0.00 0.00 176.83 176.32 2za8 h ALA 120 N 1.18 1.35 -0.71 6.23 0.00 -0.72 -2.45 119.26 124.14 2za8 h ALA 120 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2za8 h ALA 120 Cb -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2za8 h ALA 120 CO -0.05 0.32 0.00 1.04 0.00 0.00 0.00 179.25 180.56 2za8 n GLN 121 N -3.90 3.13 -3.70 0.00 1.13 -0.53 -4.97 117.38 108.54 2za8 n GLN 121 Ca -0.02 -2.76 -0.26 0.00 -1.94 0.00 0.00 57.00 52.02 2za8 n GLN 121 Cb 0.34 -1.70 0.03 0.00 0.11 0.00 0.00 30.24 29.02 2za8 n GLN 121 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2za8 n ALA 122 N 1.46 -2.29 -3.77 -1.58 0.00 -0.64 -4.95 120.51 108.74 2za8 n ALA 122 Ca 0.25 -0.19 -0.33 0.00 0.00 0.00 0.00 53.44 53.18 2za8 n ALA 122 Cb 0.73 -3.14 -0.10 0.00 0.00 0.00 0.00 19.45 16.94 2za8 n ALA 122 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2za8 s ASP 123 N -3.90 5.33 0.41 0.00 -1.08 -0.02 -4.94 116.67 112.47 2za8 s ASP 123 Ca 0.24 -3.62 0.18 0.00 -0.52 0.00 0.00 52.55 48.83 2za8 s ASP 123 Cb -0.08 -1.78 0.87 0.00 -1.46 0.00 0.00 42.92 40.48 2za8 s ASP 123 CO 0.84 -0.17 1.85 1.55 0.52 0.00 0.00 175.17 179.76 2za8 h PRO 124 N 5.93 0.00 -0.46 4.34 0.13 -1.93 -2.28 132.00 137.73 2za8 h PRO 124 Ca 0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 2za8 h PRO 124 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2za8 h PRO 124 CO 0.77 0.32 0.19 1.25 -0.23 0.00 0.00 178.00 180.30 2za8 h HIS 125 N 0.00 0.71 -0.17 1.56 2.76 -1.98 -0.66 115.15 117.37 2za8 h HIS 125 Ca -0.00 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 2za8 h HIS 125 Cb 0.67 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 2za8 h HIS 125 CO 0.00 0.60 0.08 1.25 -1.30 0.00 0.00 177.93 178.55 2za8 h LEU 126 N 0.61 0.22 -0.57 0.26 5.85 -1.91 -0.07 115.31 119.69 2za8 h LEU 126 Ca 0.16 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2za8 h LEU 126 Cb 0.19 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2za8 h LEU 126 CO -0.01 0.29 0.35 0.00 -0.34 0.00 0.00 178.44 178.73 2za8 h ASP 128 N 0.70 0.69 -0.49 0.00 3.58 -0.99 -1.64 116.42 118.27 2za8 h ASP 128 Ca 0.22 -0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.58 2za8 h ASP 128 Cb -0.00 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 40.82 2za8 h ASP 128 CO -0.09 0.65 0.20 0.15 -2.88 0.00 0.00 179.24 177.27 2za8 h PHE 129 N 0.68 0.36 -0.29 0.28 3.04 -0.48 0.84 116.94 121.37 2za8 h PHE 129 Ca 0.17 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.07 2za8 h PHE 129 Cb 0.16 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 2za8 h PHE 129 CO 0.00 0.14 -0.10 -0.07 -2.02 0.00 0.00 178.31 176.26 2za8 h LEU 130 N 0.40 0.58 -0.17 0.59 3.38 -1.17 -2.18 115.31 116.74 2za8 h LEU 130 Ca 0.23 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2za8 h LEU 130 Cb 0.20 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2za8 h LEU 130 CO -0.21 0.83 0.08 -0.33 0.09 0.00 0.00 178.44 178.91 2za8 h GLU 131 N 0.32 0.24 -0.02 1.13 5.08 -1.00 -0.26 114.58 120.07 2za8 h GLU 131 Ca 0.07 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 2za8 h GLU 131 Cb 0.60 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2za8 h GLU 131 CO 0.03 0.26 -0.47 0.77 -1.00 0.00 0.00 179.01 178.61 2za8 h SER 132 N 0.15 0.05 0.00 1.42 0.02 -0.82 -3.31 113.55 111.06 2za8 h SER 132 Ca 0.06 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2za8 h SER 132 Cb 0.10 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2za8 h SER 132 CO -0.01 0.52 -0.05 1.41 -1.14 0.00 0.00 176.83 177.56 2za8 n HIS 133 N -3.98 0.00 0.00 3.45 8.25 -0.82 -4.91 115.22 117.21 2za8 n HIS 133 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2za8 n HIS 133 Cb 0.50 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2za8 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2za8 n PHE 134 N -1.03 -0.04 -0.06 4.41 3.01 -0.49 -4.74 117.46 118.52 2za8 n PHE 134 Ca 0.00 0.01 -0.10 0.00 1.01 0.00 0.00 57.45 58.37 2za8 n PHE 134 Cb 0.01 0.22 -0.03 0.00 -0.01 0.00 0.00 39.48 39.66 2za8 n PHE 134 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2za8 h LEU 135 N 0.00 0.27 -0.55 4.37 3.38 -1.19 -0.71 115.31 120.88 2za8 h LEU 135 Ca 0.00 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 2za8 h LEU 135 Cb 0.54 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2za8 h LEU 135 CO 0.00 0.27 -0.54 -0.78 0.09 0.00 0.00 178.44 177.48 2za8 h ASP 136 N 0.25 0.57 -0.54 -0.43 -0.00 -1.84 -2.08 116.42 112.35 2za8 h ASP 136 Ca 0.08 -0.30 0.06 0.00 -0.00 0.00 0.00 57.03 56.87 2za8 h ASP 136 Cb 0.06 -0.16 -0.05 0.00 -0.00 0.00 0.00 39.33 39.17 2za8 h ASP 136 CO -0.01 1.00 0.25 -0.08 -0.00 0.00 0.00 179.24 180.40 2za8 h GLU 137 N 0.39 0.47 -0.19 0.28 4.81 -1.77 -0.96 114.58 117.61 2za8 h GLU 137 Ca 0.01 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2za8 h GLU 137 Cb 1.07 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2za8 h GLU 137 CO 0.10 0.31 0.03 0.93 -0.73 0.00 0.00 179.01 179.65 2za8 h GLU 138 N 0.48 0.32 -0.41 1.92 4.39 -1.03 -0.75 114.58 119.51 2za8 h GLU 138 Ca 0.25 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.91 2za8 h GLU 138 Cb 0.20 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 2za8 h GLU 138 CO -0.20 0.47 0.17 0.28 -1.16 0.00 0.00 179.01 178.57 2za8 h VAL 139 N 0.11 0.91 -0.60 3.13 2.07 -1.11 0.63 116.25 121.40 2za8 h VAL 139 Ca 0.06 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 2za8 h VAL 139 Cb 0.31 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2za8 h VAL 139 CO 0.00 0.06 0.23 0.11 0.02 0.00 0.00 177.57 177.99 2za8 h LYS 140 N 0.35 0.90 -0.41 1.57 1.57 -1.11 -1.13 116.57 118.32 2za8 h LYS 140 Ca 0.18 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2za8 h LYS 140 Cb 0.14 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2za8 h LYS 140 CO -0.16 0.78 0.08 1.25 -0.57 0.00 0.00 179.45 180.83 2za8 h LEU 141 N 0.83 0.64 -0.82 2.94 5.85 -0.83 -0.80 115.31 123.13 2za8 h LEU 141 Ca 0.20 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2za8 h LEU 141 Cb 0.22 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2za8 h LEU 141 CO -0.01 0.72 0.31 0.40 -0.34 0.00 0.00 178.44 179.53 2za8 h ILE 142 N 0.53 1.26 -0.37 4.05 2.04 -0.73 -0.17 117.51 124.13 2za8 h ILE 142 Ca 0.13 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 2za8 h ILE 142 Cb 0.35 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2za8 h ILE 142 CO 0.01 0.34 0.19 0.50 0.00 0.00 0.00 178.15 179.19 2za8 h LYS 143 N 1.15 0.51 -0.59 2.37 1.63 -1.04 -0.02 116.57 120.58 2za8 h LYS 143 Ca 0.26 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 60.02 2za8 h LYS 143 Cb 0.22 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.71 2za8 h LYS 143 CO -0.02 0.43 0.37 -0.22 -3.45 0.00 0.00 179.45 176.56 2za8 h LYS 144 N 0.46 0.71 -0.59 1.90 1.63 -0.75 -0.27 116.57 119.66 2za8 h LYS 144 Ca 0.13 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 2za8 h LYS 144 Cb 0.07 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 2za8 h LYS 144 CO -0.02 0.47 0.04 0.52 -3.45 0.00 0.00 179.45 177.01 2za8 h MET 145 N 0.73 0.98 -0.45 1.90 2.86 -0.79 -0.05 114.93 120.11 2za8 h MET 145 Ca 0.24 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2za8 h MET 145 Cb 0.01 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 2za8 h MET 145 CO -0.09 0.94 0.28 0.78 1.06 0.00 0.00 176.91 179.88 2za8 h GLY 146 N 1.01 0.63 0.97 8.32 0.00 -0.55 0.12 103.07 113.57 2za8 h GLY 146 Ca 0.17 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.30 2za8 h GLY 146 CO 0.02 0.20 0.30 -0.55 0.00 0.00 0.00 176.54 176.50 2za8 h ASP 147 N 0.57 0.50 -0.26 0.19 3.45 -0.70 -1.17 116.42 119.00 2za8 h ASP 147 Ca 0.17 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.63 2za8 h ASP 147 Cb -0.02 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 2za8 h ASP 147 CO -0.06 0.36 0.16 0.45 -1.57 0.00 0.00 179.24 178.58 2za8 h HIS 148 N 0.60 0.33 -0.46 4.55 3.86 -0.67 -1.51 115.15 121.85 2za8 h HIS 148 Ca 0.17 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2za8 h HIS 148 Cb -0.05 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 2za8 h HIS 148 CO -0.05 0.23 0.29 1.25 0.86 0.00 0.00 177.93 180.50 2za8 h LEU 149 N 0.34 0.49 -0.59 2.43 5.85 -0.42 0.14 115.31 123.55 2za8 h LEU 149 Ca 0.09 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2za8 h LEU 149 Cb -0.02 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 2za8 h LEU 149 CO -0.02 0.35 0.31 0.74 -0.34 0.00 0.00 178.44 179.48 2za8 h THR 150 N 0.59 0.95 -0.43 1.05 2.02 -1.08 0.78 112.91 116.80 2za8 h THR 150 Ca 0.18 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 2za8 h THR 150 Cb -0.03 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 2za8 h THR 150 CO -0.06 0.11 0.01 0.78 0.37 0.00 0.00 175.52 176.73 2za8 h ASN 151 N 0.58 0.74 -0.36 4.18 2.35 -0.53 -1.39 115.58 121.15 2za8 h ASN 151 Ca 0.26 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2za8 h ASN 151 Cb 0.17 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2za8 h ASN 151 CO -0.18 0.85 0.16 0.40 -1.65 0.00 0.00 177.43 177.02 2za8 h ILE 152 N 0.60 1.17 -0.63 2.81 2.04 -0.43 -1.43 117.51 121.64 2za8 h ILE 152 Ca 0.12 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 2za8 h ILE 152 Cb 0.47 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2za8 h ILE 152 CO 0.02 0.19 0.18 1.56 0.00 0.00 0.00 178.15 180.09 2za8 h GLN 153 N 0.44 0.99 -0.96 2.37 4.20 -0.75 0.52 115.11 121.93 2za8 h GLN 153 Ca 0.12 -0.23 0.02 0.00 0.06 0.00 0.00 58.65 58.62 2za8 h GLN 153 Cb 0.14 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 2za8 h GLN 153 CO -0.01 0.89 0.64 -0.09 -0.67 0.00 0.00 178.83 179.58 2za8 h ARG 154 N 0.91 1.24 -0.09 1.46 2.43 -1.11 -1.22 114.38 118.00 2za8 h ARG 154 Ca 0.20 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2za8 h ARG 154 Cb 0.32 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2za8 h ARG 154 CO -0.00 0.82 -0.34 -0.07 -1.51 0.00 0.00 179.97 178.87 2za8 h LEU 155 N 1.28 0.46 -0.23 3.80 3.38 -0.55 -3.24 115.31 120.21 2za8 h LEU 155 Ca 0.36 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2za8 h LEU 155 Cb -0.11 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2za8 h LEU 155 CO -0.09 1.01 0.00 -0.37 0.09 0.00 0.00 178.44 179.08 2za8 h VAL 156 N -0.06 0.00 0.00 1.22 -1.51 -0.86 -2.32 116.25 112.72 2za8 h VAL 156 Ca -0.02 -0.73 -0.08 0.00 -1.23 0.00 0.00 66.70 64.64 2za8 h VAL 156 Cb 0.98 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.84 2za8 h VAL 156 CO 0.07 0.00 -0.39 1.23 -1.23 0.00 0.00 177.57 177.26 2za8 h GLY 157 N 3.79 0.00 0.00 5.19 0.00 -1.29 -3.20 103.07 107.56 2za8 h GLY 157 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2za8 h GLY 157 CO 0.00 0.00 -0.07 1.76 0.00 0.00 0.00 176.54 178.23 2za8 h SER 158 N 0.00 0.00 -1.87 0.19 0.02 -1.49 -3.47 113.55 106.92 2za8 h SER 158 Ca -0.00 -0.47 0.05 0.00 -0.84 0.00 0.00 61.79 60.52 2za8 h SER 158 Cb 0.80 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.12 2za8 h SER 158 CO 0.05 0.77 -0.21 -1.58 -1.14 0.00 0.00 176.83 174.72 2za8 s GLN 159 N -1.91 0.53 0.03 3.45 2.00 -0.91 -5.08 119.66 117.76 2za8 s GLN 159 Ca -0.10 1.27 -0.15 0.00 -2.00 0.00 0.00 55.36 54.38 2za8 s GLN 159 Cb -0.01 0.67 -0.08 0.00 0.80 0.00 0.00 33.01 34.40 2za8 s GLN 159 CO 0.34 -0.31 1.22 0.00 -0.50 0.00 0.00 175.29 176.04 2za8 h ALA 160 N 8.03 -1.04 -0.04 1.58 0.00 -1.79 0.13 119.26 126.13 2za8 h ALA 160 Ca -0.19 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2za8 h ALA 160 Cb 1.12 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2za8 h ALA 160 CO 0.14 -1.03 0.02 0.78 0.00 0.00 0.00 179.25 179.17 2za8 h GLY 161 N -0.48 0.06 0.27 0.00 0.00 -1.94 -1.73 103.07 99.25 2za8 h GLY 161 Ca -0.04 -0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.34 2za8 h GLY 161 CO 0.04 0.03 0.00 -2.00 0.00 0.00 0.00 176.54 174.61 2za8 h LEU 162 N -0.01 -0.18 -0.57 3.11 5.85 -1.95 -2.25 115.31 119.31 2za8 h LEU 162 Ca 0.02 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2za8 h LEU 162 Cb 0.07 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2za8 h LEU 162 CO -0.00 -0.05 0.27 1.23 -0.34 0.00 0.00 178.44 179.55 2za8 h GLY 163 N 0.12 0.89 1.00 3.75 0.00 -0.44 -1.10 103.07 107.29 2za8 h GLY 163 Ca 0.23 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2za8 h GLY 163 CO -0.37 0.42 0.30 0.83 0.00 0.00 0.00 176.54 177.71 2za8 h GLU 164 N 0.78 0.59 -0.08 4.80 5.08 -1.08 -1.17 114.58 123.49 2za8 h GLU 164 Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2za8 h GLU 164 Cb 0.12 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2za8 h GLU 164 CO -0.02 0.39 0.05 -0.92 -1.00 0.00 0.00 179.01 177.50 2za8 h TYR 165 N 0.60 0.09 -0.79 4.33 5.03 -1.20 -1.68 116.97 123.36 2za8 h TYR 165 Ca 0.16 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.51 2za8 h TYR 165 Cb -0.07 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.13 2za8 h TYR 165 CO -0.04 0.05 0.50 -0.07 -1.32 0.00 0.00 178.16 177.28 2za8 h LEU 166 N 0.10 0.82 -0.38 2.82 3.38 -0.98 -0.45 115.31 120.63 2za8 h LEU 166 Ca 0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2za8 h LEU 166 Cb -0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2za8 h LEU 166 CO -0.02 0.56 0.11 0.15 0.09 0.00 0.00 178.44 179.34 2za8 h PHE 167 N 0.97 0.61 -0.76 1.13 3.57 -1.09 0.50 116.94 121.88 2za8 h PHE 167 Ca 0.32 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 2za8 h PHE 167 Cb 0.02 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 2za8 h PHE 167 CO -0.03 0.59 0.25 1.49 -2.23 0.00 0.00 178.31 178.38 2za8 h GLU 168 N 0.46 1.17 -0.09 1.11 4.22 -0.92 -0.70 114.58 119.83 2za8 h GLU 168 Ca 0.12 -0.24 -0.20 0.00 0.08 0.00 0.00 59.36 59.11 2za8 h GLU 168 Cb 0.27 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.36 2za8 h GLU 168 CO -0.00 0.98 -0.74 0.00 -2.18 0.00 0.00 179.01 177.07 2za8 h ARG 169 N 1.12 0.66 0.00 1.92 2.47 -0.88 -0.34 114.38 119.33 2za8 h ARG 169 Ca 0.25 -0.59 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 2za8 h ARG 169 Cb 0.29 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 2za8 h ARG 169 CO -0.01 1.20 -1.62 1.28 0.56 0.00 0.00 179.97 181.38 2za8 n LEU 170 N -4.03 0.13 -0.09 3.04 4.77 0.15 -4.05 117.00 116.91 2za8 n LEU 170 Ca -0.09 -0.08 -0.20 0.00 -0.03 0.00 0.00 56.01 55.61 2za8 n LEU 170 Cb 0.73 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.75 2za8 n LEU 170 CO 0.51 0.03 -1.14 0.41 -1.33 0.00 0.00 177.39 175.88 2za8 n THR 171 N -1.98 1.02 0.03 -5.08 -1.04 -0.30 -4.84 114.28 102.09 2za8 n THR 171 Ca -0.02 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.05 61.57 2za8 n THR 171 Cb 0.42 -1.71 -0.14 0.00 -1.82 0.00 0.00 70.33 67.08 2za8 n THR 171 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2za8 h LEU 172 N -0.62 0.28 0.00 -4.42 3.38 -1.46 -3.50 115.31 108.97 2za8 h LEU 172 Ca -0.47 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.04 2za8 h LEU 172 Cb 1.43 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2za8 h LEU 172 CO -0.27 1.40 0.00 2.29 0.09 0.00 0.00 178.44 181.95