#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cff n ASP 2 N 0.00 1.54 -1.43 0.00 2.03 -1.26 -5.06 116.55 112.37 1cff n ASP 2 Ca 0.00 -1.55 0.19 0.00 0.52 0.00 0.00 54.79 53.95 1cff n ASP 2 Cb 0.00 -0.01 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1cff n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cff n GLN 3 N -0.85 -2.98 -2.35 -0.67 6.02 -1.26 -5.01 117.38 110.28 1cff n GLN 3 Ca -0.01 2.12 -0.03 0.00 -0.01 0.00 0.00 57.00 59.07 1cff n GLN 3 Cb 0.18 -3.60 -0.02 0.00 1.02 0.00 0.00 30.24 27.82 1cff n GLN 3 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1cff n LEU 4 N -4.22 -5.90 -4.77 1.08 -0.00 -1.26 -4.93 117.00 97.00 1cff n LEU 4 Ca -0.02 2.30 -0.38 0.00 -0.00 0.00 0.00 56.01 57.92 1cff n LEU 4 Cb 0.67 -3.03 -0.01 0.00 -0.00 0.00 0.00 43.42 41.05 1cff n LEU 4 CO 0.02 -3.17 0.84 0.42 -0.00 0.00 0.00 177.39 175.51 1cff s THR 5 N -0.57 3.09 -0.72 1.96 -4.23 -1.26 -4.93 115.64 108.98 1cff s THR 5 Ca -0.14 0.88 0.24 0.00 -1.18 0.00 0.00 61.69 61.49 1cff s THR 5 Cb 0.01 -3.47 0.02 0.00 1.34 0.00 0.00 72.50 70.40 1cff s THR 5 CO 0.38 0.04 1.31 -0.62 -0.54 0.00 0.00 174.62 175.20 1cff n GLU 6 N -0.18 0.22 0.12 3.99 4.71 -1.26 -3.51 120.64 124.74 1cff n GLU 6 Ca 0.06 0.05 -0.05 0.00 -0.01 0.00 0.00 57.16 57.21 1cff n GLU 6 Cb 0.47 -1.63 -0.02 0.00 -1.01 0.00 0.00 31.44 29.25 1cff n GLU 6 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1cff h GLU 7 N 0.00 -0.31 -0.04 3.49 4.22 -1.99 -2.31 114.58 117.65 1cff h GLU 7 Ca 0.00 0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.38 1cff h GLU 7 Cb 0.68 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1cff h GLU 7 CO 0.00 -0.21 -0.28 -0.56 -2.18 0.00 0.00 179.01 175.79 1cff h GLN 8 N -0.53 0.26 -0.99 1.92 -0.00 -2.00 -3.13 115.11 110.64 1cff h GLN 8 Ca -0.03 -0.22 0.21 0.00 -0.00 0.00 0.00 58.65 58.60 1cff h GLN 8 Cb 0.25 0.05 -0.10 0.00 -0.00 0.00 0.00 27.48 27.68 1cff h GLN 8 CO 0.05 0.89 0.62 0.97 -0.00 0.00 0.00 178.83 181.36 1cff h ILE 9 N -0.30 0.66 -0.93 1.86 -0.00 -1.74 0.52 117.51 117.58 1cff h ILE 9 Ca -0.02 -0.21 0.19 0.00 -0.00 0.00 0.00 64.86 64.81 1cff h ILE 9 Cb 0.95 -0.01 -0.11 0.00 -0.00 0.00 0.00 36.82 37.65 1cff h ILE 9 CO 0.06 0.11 0.51 0.00 -0.00 0.00 0.00 178.15 178.83 1cff h ALA 10 N 1.64 1.50 -1.00 0.18 0.00 -1.35 1.22 119.26 121.45 1cff h ALA 10 Ca 0.56 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.66 1cff h ALA 10 Cb 1.08 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1cff h ALA 10 CO -0.33 -0.15 0.64 0.93 0.00 0.00 0.00 179.25 180.34 1cff h GLU 11 N 0.62 1.07 -0.61 0.00 4.39 -0.01 1.17 114.58 121.21 1cff h GLU 11 Ca 0.54 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 60.24 1cff h GLU 11 Cb 0.89 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1cff h GLU 11 CO -0.42 0.71 0.40 0.35 -1.16 0.00 0.00 179.01 178.90 1cff h PHE 12 N 1.10 0.61 -0.64 4.33 3.57 0.16 0.63 116.94 126.70 1cff h PHE 12 Ca 0.46 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.91 1cff h PHE 12 Cb 0.29 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1cff h PHE 12 CO -0.00 0.33 0.18 -0.22 -2.23 0.00 0.00 178.31 176.37 1cff h LYS 13 N 0.61 1.02 -0.97 1.11 3.64 0.26 0.12 116.57 122.35 1cff h LYS 13 Ca 0.26 -0.23 0.20 0.00 -1.27 0.00 0.00 60.65 59.60 1cff h LYS 13 Cb 0.25 -0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 31.84 1cff h LYS 13 CO -0.08 0.90 0.61 0.93 -2.27 0.00 0.00 179.45 179.55 1cff h GLU 14 N 0.94 0.60 0.24 1.90 4.39 0.13 1.10 114.58 123.88 1cff h GLU 14 Ca 0.20 -0.04 -0.33 0.00 0.34 0.00 0.00 59.36 59.53 1cff h GLU 14 Cb 0.33 -0.14 0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1cff h GLU 14 CO -0.00 0.40 -1.48 0.00 -1.16 0.00 0.00 179.01 176.76 1cff h ALA 15 N 1.62 -0.12 0.00 3.43 0.00 -1.21 -0.44 119.26 122.54 1cff h ALA 15 Ca 0.53 -0.88 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1cff h ALA 15 Cb 1.02 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1cff h ALA 15 CO -0.29 0.75 -0.04 0.35 0.00 0.00 0.00 179.25 180.02 1cff h PHE 16 N 0.14 0.00 0.00 0.00 3.57 0.21 2.19 116.94 123.04 1cff h PHE 16 Ca -0.25 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.06 1cff h PHE 16 Cb 2.15 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.86 1cff h PHE 16 CO 0.12 0.04 -1.75 0.45 -2.23 0.00 0.00 178.31 174.94 1cff n SER 17 N -4.06 0.50 -0.09 0.41 2.88 0.35 -4.11 113.62 109.50 1cff n SER 17 Ca -0.03 0.22 -0.22 0.00 -1.33 0.00 0.00 58.87 57.51 1cff n SER 17 Cb 0.12 0.69 -0.12 0.00 -0.75 0.00 0.00 64.21 64.16 1cff n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1cff n LEU 18 N -2.74 1.95 -0.30 2.46 4.77 -0.18 -4.10 117.00 118.86 1cff n LEU 18 Ca -0.14 0.40 0.34 0.00 -0.03 0.00 0.00 56.01 56.58 1cff n LEU 18 Cb 0.86 -0.98 0.75 0.00 -2.33 0.00 0.00 43.42 41.72 1cff n LEU 18 CO 0.43 0.35 1.32 0.15 -1.33 0.00 0.00 177.39 178.31 1cff h PHE 19 N -0.88 0.00 0.00 -1.77 3.04 0.34 1.39 116.94 119.05 1cff h PHE 19 Ca -0.37 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.51 1cff h PHE 19 Cb 1.40 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.90 1cff h PHE 19 CO 0.09 0.00 -0.33 0.22 -2.02 0.00 0.00 178.31 176.27 1cff h ASP 20 N 0.00 0.00 -6.55 0.41 3.58 -1.71 -3.47 116.42 108.68 1cff h ASP 20 Ca 0.54 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 57.48 1cff h ASP 20 Cb 2.21 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 43.21 1cff h ASP 20 CO -0.01 0.33 -0.92 1.17 -2.88 0.00 0.00 179.24 176.94 1cff n LYS 21 N -3.40 -2.40 0.00 0.28 0.00 0.48 -4.76 118.16 108.35 1cff n LYS 21 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 58.31 58.67 1cff n LYS 21 Cb 0.52 -4.18 0.00 0.00 0.00 0.00 0.00 35.03 31.37 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cff n ASP 22 N -2.85 0.00 -0.31 3.14 5.75 -1.26 -5.06 116.55 115.95 1cff n ASP 22 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.52 1cff n ASP 22 Cb 0.66 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 1cff n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cff n GLY 23 N -0.41 0.86 0.16 6.12 0.00 -1.26 -5.02 105.19 105.64 1cff n GLY 23 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1cff n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cff n ASP 24 N 0.45 2.64 0.00 1.61 2.03 -1.26 -5.04 116.55 116.98 1cff n ASP 24 Ca 0.00 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1cff n ASP 24 Cb 0.25 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1cff n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cff n GLY 25 N 2.77 1.06 3.04 0.27 0.00 -1.26 -5.09 105.19 105.98 1cff n GLY 25 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 1cff n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cff s THR 26 N -2.00 -0.05 -0.76 2.61 -4.23 -1.26 -4.75 115.64 105.19 1cff s THR 26 Ca 0.00 0.16 -0.19 0.00 -1.18 0.00 0.00 61.69 60.47 1cff s THR 26 Cb 0.00 -0.36 0.12 0.00 1.34 0.00 0.00 72.50 73.59 1cff s THR 26 CO 0.00 0.06 0.94 -0.63 -0.54 0.00 0.00 174.62 174.45 1cff s ILE 27 N 1.29 4.73 0.42 2.99 -1.09 -0.93 -4.89 121.20 123.72 1cff s ILE 27 Ca -0.09 -1.19 0.07 0.00 -2.23 0.00 0.00 60.65 57.21 1cff s ILE 27 Cb -0.11 -4.65 -0.04 0.00 -1.58 0.00 0.00 42.46 36.09 1cff s ILE 27 CO -0.08 -1.35 0.26 -0.89 -1.23 0.00 0.00 174.94 171.65 1cff s THR 28 N 2.81 2.40 0.58 2.92 2.01 -1.26 -2.40 115.64 122.70 1cff s THR 28 Ca 0.23 -1.56 0.30 0.00 0.31 0.00 0.00 61.69 60.97 1cff s THR 28 Cb -0.14 -2.96 0.42 0.00 0.01 0.00 0.00 72.50 69.83 1cff s THR 28 CO -0.00 0.00 1.79 0.71 -0.69 0.00 0.00 174.62 176.43 1cff h THR 29 N 1.25 0.33 0.32 -0.82 1.35 -1.95 -0.80 112.91 112.59 1cff h THR 29 Ca -0.42 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.43 1cff h THR 29 Cb 1.26 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1cff h THR 29 CO 0.65 0.00 -0.25 0.50 -0.25 0.00 0.00 175.52 176.17 1cff h LYS 30 N 0.00 -0.53 0.54 4.72 3.11 -1.96 0.63 116.57 123.09 1cff h LYS 30 Ca 0.33 0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 58.18 1cff h LYS 30 Cb 1.67 0.12 0.01 0.00 -1.00 0.00 0.00 32.23 33.03 1cff h LYS 30 CO -0.00 -0.35 -0.26 0.93 -2.81 0.00 0.00 179.45 176.95 1cff h GLU 31 N -0.55 -0.70 -0.76 1.90 3.07 -1.60 0.22 114.58 116.16 1cff h GLU 31 Ca -0.04 0.05 0.22 0.00 -0.50 0.00 0.00 59.36 59.09 1cff h GLU 31 Cb 0.45 0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 1cff h GLU 31 CO 0.01 -0.46 0.69 1.25 -1.40 0.00 0.00 179.01 179.10 1cff h LEU 32 N -1.18 0.00 0.04 1.33 5.85 -1.30 0.53 115.31 120.58 1cff h LEU 32 Ca -0.07 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.37 1cff h LEU 32 Cb 0.57 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1cff h LEU 32 CO 0.12 0.00 -1.51 1.23 -0.34 0.00 0.00 178.44 177.94 1cff h GLY 33 N 0.00 0.09 0.69 3.75 0.00 0.42 -2.81 103.07 105.21 1cff h GLY 33 Ca 0.36 -0.22 0.08 0.00 0.00 0.00 0.00 47.33 47.55 1cff h GLY 33 CO -0.00 0.19 0.65 0.00 0.00 0.00 0.00 176.54 177.38 1cff h THR 34 N 0.02 1.06 0.23 4.70 1.03 0.34 0.12 112.91 120.41 1cff h THR 34 Ca -0.22 -0.39 -0.33 0.00 -0.01 0.00 0.00 66.41 65.46 1cff h THR 34 Cb 1.96 -0.19 0.03 0.00 -1.07 0.00 0.00 68.15 68.88 1cff h THR 34 CO 0.11 0.21 -1.50 0.58 -0.01 0.00 0.00 175.52 174.91 1cff h VAL 35 N 1.14 1.25 0.00 0.00 2.07 -1.59 -0.91 116.25 118.21 1cff h VAL 35 Ca 0.44 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1cff h VAL 35 Cb 0.23 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1cff h VAL 35 CO -0.19 0.83 0.00 0.23 0.02 0.00 0.00 177.57 178.46 1cff n MET 36 N -3.67 0.13 -0.05 1.57 2.81 -0.86 0.81 117.12 117.86 1cff n MET 36 Ca -0.17 0.48 -0.05 0.00 -1.81 0.00 0.00 57.70 56.14 1cff n MET 36 Cb 1.09 -1.81 -0.08 0.00 -0.71 0.00 0.00 33.22 31.72 1cff n MET 36 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1cff n ARG 37 N -2.06 2.29 0.04 0.03 3.00 0.37 -0.67 116.66 119.66 1cff n ARG 37 Ca 0.01 -0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1cff n ARG 37 Cb 0.13 -1.26 0.11 0.00 0.00 0.00 0.00 32.46 31.43 1cff n ARG 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1cff n SER 38 N -2.39 0.65 0.03 6.15 2.88 -0.35 -4.01 113.62 116.59 1cff n SER 38 Ca -0.17 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1cff n SER 38 Cb 0.83 0.45 0.00 0.00 -0.75 0.00 0.00 64.21 64.75 1cff n SER 38 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1cff n LEU 39 N -2.02 0.14 0.19 2.46 7.99 0.24 -4.80 117.00 121.20 1cff n LEU 39 Ca 0.03 0.10 0.18 0.00 -0.01 0.00 0.00 56.01 56.30 1cff n LEU 39 Cb 0.43 0.01 0.81 0.00 -0.11 0.00 0.00 43.42 44.57 1cff n LEU 39 CO 0.38 -0.59 1.15 1.23 -1.51 0.00 0.00 177.39 178.06 1cff h GLY 40 N 0.00 0.00 0.00 -0.72 0.00 -1.32 -3.44 103.07 97.58 1cff h GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cff h GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1cff n GLN 41 N -3.78 0.00 0.11 4.80 10.64 0.15 -4.05 117.38 125.25 1cff n GLN 41 Ca 0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 1cff n GLN 41 Cb 0.38 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.76 1cff n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1cff n ASN 42 N 0.00 -2.00 -3.49 2.61 4.05 -1.26 -5.05 115.26 110.11 1cff n ASN 42 Ca 0.00 0.60 -0.09 0.00 0.45 0.00 0.00 54.58 55.54 1cff n ASN 42 Cb 0.00 2.08 0.09 0.00 1.23 0.00 0.00 39.78 43.17 1cff n ASN 42 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1cff n PRO 43 N -3.02 -0.19 -0.86 1.20 -0.04 -1.26 -4.95 135.00 125.88 1cff n PRO 43 Ca 0.00 -0.42 -0.29 0.00 -0.04 0.00 0.00 63.50 62.74 1cff n PRO 43 Cb 0.00 -1.13 0.24 0.00 -0.04 0.00 0.00 33.50 32.57 1cff n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1cff s THR 44 N -1.80 1.69 0.01 0.52 -4.23 -1.26 -4.97 115.64 105.60 1cff s THR 44 Ca 0.20 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.78 1cff s THR 44 Cb -0.03 -2.33 -0.23 0.00 1.34 0.00 0.00 72.50 71.24 1cff s THR 44 CO 0.16 0.00 0.89 -0.33 -0.54 0.00 0.00 174.62 174.80 1cff h GLU 45 N -2.61 0.05 0.00 3.99 3.07 -2.01 -3.34 114.58 113.72 1cff h GLU 45 Ca -0.50 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.28 1cff h GLU 45 Cb 1.32 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 1cff h GLU 45 CO 0.42 0.78 -0.69 0.00 -1.40 0.00 0.00 179.01 178.11 1cff h ALA 46 N 0.89 0.65 -0.92 3.43 0.00 -2.02 -3.38 119.26 117.92 1cff h ALA 46 Ca -0.19 0.00 0.26 0.00 0.00 0.00 0.00 54.91 54.98 1cff h ALA 46 Cb 1.93 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 19.57 1cff h ALA 46 CO 0.11 0.00 0.17 1.05 0.00 0.00 0.00 179.25 180.58 1cff h GLU 47 N 0.00 0.10 -0.88 0.00 -0.00 -1.95 1.35 114.58 113.20 1cff h GLU 47 Ca 0.00 -0.01 0.17 0.00 -0.00 0.00 0.00 59.36 59.52 1cff h GLU 47 Cb 0.99 -0.02 -0.07 0.00 -0.00 0.00 0.00 28.75 29.65 1cff h GLU 47 CO 0.00 0.07 0.57 1.37 -0.00 0.00 0.00 179.01 181.02 1cff h LEU 48 N 0.11 0.52 -0.99 3.06 8.10 -1.83 1.28 115.31 125.57 1cff h LEU 48 Ca 0.58 0.04 -0.09 0.00 0.11 0.00 0.00 57.88 58.53 1cff h LEU 48 Cb 1.22 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 41.37 1cff h LEU 48 CO -0.76 0.24 -0.21 -0.61 -4.11 0.00 0.00 178.44 172.98 1cff h GLN 49 N 0.54 0.48 0.00 0.17 4.15 0.15 0.54 115.11 121.14 1cff h GLN 49 Ca 0.45 -0.17 -0.13 0.00 0.77 0.00 0.00 58.65 59.57 1cff h GLN 49 Cb 0.93 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 1cff h GLN 49 CO -0.19 0.67 -0.64 0.22 -1.93 0.00 0.00 178.83 176.96 1cff h ASP 50 N 0.43 0.00 1.29 -0.69 3.58 0.19 0.19 116.42 121.42 1cff h ASP 50 Ca 0.07 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.37 1cff h ASP 50 Cb 0.61 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 1cff h ASP 50 CO 0.04 0.64 -0.71 -0.03 -2.88 0.00 0.00 179.24 176.30 1cff h MET 51 N 0.00 0.00 0.12 0.28 4.05 0.15 -1.77 114.93 117.76 1cff h MET 51 Ca -0.01 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.16 1cff h MET 51 Cb 1.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1cff h MET 51 CO 0.08 0.67 -1.28 0.82 0.23 0.00 0.00 176.91 177.43 1cff h ILE 52 N 0.00 1.14 0.00 1.77 1.08 0.23 -3.34 117.51 118.39 1cff h ILE 52 Ca -0.01 -2.44 -0.02 0.00 -0.39 0.00 0.00 64.86 62.00 1cff h ILE 52 Cb 1.53 2.82 -0.00 0.00 -3.07 0.00 0.00 36.82 38.10 1cff h ILE 52 CO 0.09 0.71 -0.12 -1.13 -0.69 0.00 0.00 178.15 177.01 1cff h ASN 53 N -0.31 0.00 -0.08 1.72 -1.24 -0.73 -3.14 115.58 111.80 1cff h ASN 53 Ca -0.27 0.00 0.02 0.00 0.71 0.00 0.00 56.30 56.77 1cff h ASN 53 Cb 1.74 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.79 1cff h ASN 53 CO 0.08 0.12 0.08 -0.33 -1.29 0.00 0.00 177.43 176.09 1cff h GLU 54 N 0.00 0.00 -0.12 6.67 5.08 -1.44 -1.59 114.58 123.17 1cff h GLU 54 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cff h GLU 54 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1cff h GLU 54 CO 0.02 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.36 1cff n VAL 55 N -3.98 1.11 -0.62 3.13 0.24 -1.19 -4.86 118.33 112.16 1cff n VAL 55 Ca -0.01 -1.12 -0.20 0.00 -2.04 0.00 0.00 64.34 60.97 1cff n VAL 55 Cb 0.18 0.42 -0.02 0.00 -1.47 0.00 0.00 33.84 32.96 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1cff n ASP 56 N -0.23 3.64 -0.03 -1.34 8.00 -0.60 -4.48 116.55 121.51 1cff n ASP 56 Ca 0.06 -2.29 0.01 0.00 0.71 0.00 0.00 54.79 53.28 1cff n ASP 56 Cb 0.36 -0.97 0.34 0.00 -0.02 0.00 0.00 41.12 40.83 1cff n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cff h ALA 57 N 6.88 1.51 0.00 2.24 0.00 -1.88 -2.51 119.26 125.50 1cff h ALA 57 Ca 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1cff h ALA 57 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1cff h ALA 57 CO 1.42 0.38 -1.43 -0.40 0.00 0.00 0.00 179.25 179.22 1cff n ASP 58 N -4.38 1.32 -2.71 0.00 5.75 -1.26 -4.98 116.55 110.29 1cff n ASP 58 Ca 0.03 -0.22 -0.15 0.00 -0.01 0.00 0.00 54.79 54.44 1cff n ASP 58 Cb 0.14 1.51 -0.03 0.00 -1.03 0.00 0.00 41.12 41.72 1cff n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cff n GLY 59 N 1.56 -0.29 0.29 6.12 0.00 -0.95 -4.74 105.19 107.19 1cff n GLY 59 Ca -0.01 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1cff n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1cff h ASN 60 N -0.30 0.99 0.00 1.61 -1.07 -1.93 -3.46 115.58 111.41 1cff h ASN 60 Ca -0.21 -0.28 0.00 0.00 0.07 0.00 0.00 56.30 55.88 1cff h ASN 60 Cb 0.79 -0.27 0.00 0.00 -2.07 0.00 0.00 38.32 36.78 1cff h ASN 60 CO 0.31 1.03 0.00 0.61 0.07 0.00 0.00 177.43 179.45 1cff n GLY 61 N -0.49 -1.49 0.00 9.14 0.00 -1.26 -5.17 105.19 105.92 1cff n GLY 61 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1cff n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cff n THR 62 N -3.15 0.00 -2.78 2.61 -2.24 -1.26 -5.07 114.28 102.39 1cff n THR 62 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1cff n THR 62 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 1cff n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1cff s ILE 63 N -1.03 4.35 0.14 2.28 -1.09 -1.01 -4.86 121.20 119.99 1cff s ILE 63 Ca 0.00 0.60 0.06 0.00 -2.23 0.00 0.00 60.65 59.08 1cff s ILE 63 Cb 0.00 -4.53 -0.04 0.00 -1.58 0.00 0.00 42.46 36.31 1cff s ILE 63 CO 0.00 -1.04 0.03 -0.62 -1.23 0.00 0.00 174.94 172.07 1cff s ASP 64 N 2.63 5.00 0.19 3.58 2.15 -1.26 -2.19 116.67 126.77 1cff s ASP 64 Ca 0.36 -0.27 -0.16 0.00 0.43 0.00 0.00 52.55 52.91 1cff s ASP 64 Cb -0.10 -1.16 0.19 0.00 -0.30 0.00 0.00 42.92 41.55 1cff s ASP 64 CO 0.24 0.11 1.33 0.33 -0.17 0.00 0.00 175.17 177.01 1cff n PHE 65 N 0.07 -0.00 0.37 -5.34 7.35 -1.26 -0.81 117.46 117.84 1cff n PHE 65 Ca -0.10 1.06 -0.18 0.00 -0.76 0.00 0.00 57.45 57.47 1cff n PHE 65 Cb 0.54 -0.80 -0.09 0.00 0.35 0.00 0.00 39.48 39.48 1cff n PHE 65 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1cff h PRO 66 N 0.00 -1.03 0.09 -7.13 0.13 -1.98 0.20 132.00 122.29 1cff h PRO 66 Ca 0.29 0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.48 1cff h PRO 66 Cb 0.50 0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1cff h PRO 66 CO -0.85 -0.68 -0.04 1.05 -0.23 0.00 0.00 178.00 177.24 1cff h GLU 67 N -1.06 -0.12 -0.27 0.86 4.11 -1.77 -1.03 114.58 115.30 1cff h GLU 67 Ca -0.09 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1cff h GLU 67 Cb 0.87 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1cff h GLU 67 CO 0.06 -0.07 0.08 0.35 0.07 0.00 0.00 179.01 179.49 1cff h PHE 68 N -0.14 0.38 0.30 2.06 3.57 -1.02 -2.25 116.94 119.84 1cff h PHE 68 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1cff h PHE 68 Cb 0.11 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1cff h PHE 68 CO -0.07 0.33 -0.14 1.25 -2.23 0.00 0.00 178.31 177.45 1cff h LEU 69 N 0.38 -0.34 -1.46 0.59 5.85 -0.15 -2.87 115.31 117.32 1cff h LEU 69 Ca 0.09 0.01 0.31 0.00 0.84 0.00 0.00 57.88 59.14 1cff h LEU 69 Cb 0.14 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.16 1cff h LEU 69 CO -0.01 -0.19 0.73 0.71 -0.34 0.00 0.00 178.44 179.34 1cff h THR 70 N -0.49 0.42 0.22 1.05 1.35 -1.16 0.56 112.91 114.86 1cff h THR 70 Ca -0.04 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 65.71 1cff h THR 70 Cb 0.30 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 66.85 1cff h THR 70 CO 0.07 0.05 -0.14 -0.03 -0.25 0.00 0.00 175.52 175.22 1cff h MET 71 N 0.28 -0.33 -0.30 4.72 1.85 -1.36 0.16 114.93 119.96 1cff h MET 71 Ca 0.64 0.02 -0.08 0.00 -0.61 0.00 0.00 59.70 59.67 1cff h MET 71 Cb 1.83 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 33.92 1cff h MET 71 CO -0.28 -0.22 -0.15 1.98 -0.40 0.00 0.00 176.91 177.84 1cff h MET 72 N -0.34 0.53 0.65 0.39 -1.53 -1.17 -3.26 114.93 110.21 1cff h MET 72 Ca -0.03 -0.17 -0.03 0.00 -3.44 0.00 0.00 59.70 56.03 1cff h MET 72 Cb 0.27 -0.05 0.01 0.00 -0.55 0.00 0.00 31.60 31.28 1cff h MET 72 CO 0.03 0.67 -0.31 0.00 0.14 0.00 0.00 176.91 177.44 1cff h ALA 73 N 1.35 -1.22 -2.76 0.39 0.00 0.14 -3.42 119.26 113.74 1cff h ALA 73 Ca 0.08 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 54.27 1cff h ALA 73 Cb 0.55 0.34 0.07 0.00 0.00 0.00 0.00 17.79 18.75 1cff h ALA 73 CO 0.04 -1.16 0.83 -0.98 0.00 0.00 0.00 179.25 177.98 1cff s ARG 74 N -4.89 4.19 0.00 0.00 1.70 0.57 -4.83 118.95 115.69 1cff s ARG 74 Ca -0.13 2.44 0.00 0.00 -0.47 0.00 0.00 55.73 57.57 1cff s ARG 74 Cb 0.01 -3.07 0.00 0.00 -0.57 0.00 0.00 34.95 31.32 1cff s ARG 74 CO 0.38 -0.54 0.00 0.36 -1.08 0.00 0.00 175.30 174.42 1cff n LYS 75 N 2.41 0.00 -0.38 3.89 2.85 -1.26 -4.84 118.16 120.82 1cff n LYS 75 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1cff n LYS 75 Cb 0.39 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.77 1cff n LYS 75 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 1cff n MET 76 N -0.65 1.08 -0.91 -1.58 1.56 -1.26 -5.16 117.12 110.20 1cff n MET 76 Ca 0.00 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.14 1cff n MET 76 Cb 0.00 0.00 0.23 0.00 2.15 0.00 0.00 33.22 35.60 1cff n MET 76 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1cff s LYS 77 N 0.43 -1.08 0.31 2.12 -0.14 -1.26 -4.98 119.74 115.14 1cff s LYS 77 Ca 0.00 0.24 0.00 0.00 -1.36 0.00 0.00 55.97 54.85 1cff s LYS 77 Cb 0.00 -1.59 0.00 0.00 -1.68 0.00 0.00 37.83 34.56 1cff s LYS 77 CO 0.00 -3.68 0.00 -0.25 -0.76 0.00 0.00 175.35 170.66 1cff n ASP 78 N -4.79 -2.80 0.00 2.83 8.00 -1.26 -5.13 116.55 113.40 1cff n ASP 78 Ca 0.09 0.73 0.00 0.00 0.71 0.00 0.00 54.79 56.32 1cff n ASP 78 Cb 0.58 2.75 0.00 0.00 -0.02 0.00 0.00 41.12 44.43 1cff n ASP 78 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1cff n THR 79 N -3.24 0.00 -3.56 -3.53 5.66 -1.26 -5.09 114.28 103.26 1cff n THR 79 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1cff n THR 79 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1cff n THR 79 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1cff s ASP 80 N 0.00 -0.63 0.04 1.09 1.47 -1.26 -5.07 116.67 112.30 1cff s ASP 80 Ca 0.00 0.88 0.00 0.00 1.18 0.00 0.00 52.55 54.61 1cff s ASP 80 Cb 0.00 0.78 0.00 0.00 -0.34 0.00 0.00 42.92 43.36 1cff s ASP 80 CO 0.00 -0.45 0.00 -0.24 0.68 0.00 0.00 175.17 175.16 1cff n SER 81 N 1.44 -0.32 -4.64 2.11 2.88 -1.26 -5.14 113.62 108.70 1cff n SER 81 Ca -0.16 0.14 -0.42 0.00 -1.33 0.00 0.00 58.87 57.09 1cff n SER 81 Cb 0.57 0.49 -0.00 0.00 -0.75 0.00 0.00 64.21 64.52 1cff n SER 81 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1cff n GLU 82 N -2.12 1.63 -0.38 -1.46 4.07 -1.26 -4.92 120.64 116.20 1cff n GLU 82 Ca 0.00 0.58 0.03 0.00 -0.06 0.00 0.00 57.16 57.71 1cff n GLU 82 Cb 0.00 -2.11 0.04 0.00 -0.06 0.00 0.00 31.44 29.32 1cff n GLU 82 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1cff n GLU 83 N 0.39 0.39 0.00 5.31 -0.58 -1.26 -4.76 120.64 120.14 1cff n GLU 83 Ca 0.08 -1.50 0.00 0.00 -0.42 0.00 0.00 57.16 55.32 1cff n GLU 83 Cb 0.37 -0.80 0.00 0.00 -0.57 0.00 0.00 31.44 30.44 1cff n GLU 83 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1cff n GLU 84 N -0.43 0.00 -0.55 3.49 2.13 -1.26 -4.85 120.64 119.16 1cff n GLU 84 Ca 0.05 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.86 1cff n GLU 84 Cb 0.69 -0.22 0.19 0.00 0.27 0.00 0.00 31.44 32.37 1cff n GLU 84 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1cff n ILE 85 N -1.52 1.73 0.19 6.31 5.41 -1.26 -4.31 119.36 125.90 1cff n ILE 85 Ca 0.00 -0.86 0.12 0.00 1.00 0.00 0.00 62.75 63.02 1cff n ILE 85 Cb 0.00 -0.46 0.66 0.00 -0.71 0.00 0.00 39.64 39.12 1cff n ILE 85 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1cff h ARG 86 N 1.79 0.00 0.00 0.38 2.43 -1.89 0.41 114.38 117.51 1cff h ARG 86 Ca 0.09 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1cff h ARG 86 Cb 1.52 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.06 1cff h ARG 86 CO 0.37 0.00 -0.41 1.49 -1.51 0.00 0.00 179.97 179.91 1cff h GLU 87 N 0.00 0.00 -0.21 0.20 4.81 -1.98 -1.97 114.58 115.43 1cff h GLU 87 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1cff h GLU 87 Cb 0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1cff h GLU 87 CO 0.00 0.71 -0.09 0.00 -0.73 0.00 0.00 179.01 178.90 1cff h ALA 88 N -0.43 1.46 -0.02 2.92 0.00 -1.77 1.15 119.26 122.58 1cff h ALA 88 Ca -0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1cff h ALA 88 Cb 0.85 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1cff h ALA 88 CO -0.06 0.38 -0.00 0.35 0.00 0.00 0.00 179.25 179.92 1cff h PHE 89 N 0.31 0.05 0.00 0.00 3.57 -0.30 -2.13 116.94 118.44 1cff h PHE 89 Ca 0.06 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 1cff h PHE 89 Cb 0.36 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1cff h PHE 89 CO 0.01 0.35 -0.62 -0.09 -2.23 0.00 0.00 178.31 175.72 1cff h ARG 90 N -0.27 0.00 -1.00 1.11 2.43 -1.05 -1.46 114.38 114.14 1cff h ARG 90 Ca 0.01 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1cff h ARG 90 Cb 0.33 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 1cff h ARG 90 CO 0.00 0.62 0.65 0.28 -1.51 0.00 0.00 179.97 180.02 1cff h VAL 91 N 0.00 1.13 -0.02 0.20 2.07 0.15 -2.47 116.25 117.31 1cff h VAL 91 Ca -0.01 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1cff h VAL 91 Cb 1.35 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1cff h VAL 91 CO 0.08 0.22 -0.42 0.49 0.02 0.00 0.00 177.57 177.96 1cff n PHE 92 N -4.47 0.00 0.84 1.57 3.72 -0.81 -4.26 117.46 114.05 1cff n PHE 92 Ca 0.14 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.68 1cff n PHE 92 Cb 0.14 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.14 1cff n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1cff n ASP 93 N 0.04 0.39 0.00 4.37 -0.08 -0.56 -4.65 116.55 116.06 1cff n ASP 93 Ca 0.09 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.77 1cff n ASP 93 Cb 0.45 -0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1cff n ASP 93 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1cff n LYS 94 N -1.81 0.00 0.11 -0.67 4.81 -1.19 0.52 118.16 119.93 1cff n LYS 94 Ca 0.06 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.37 1cff n LYS 94 Cb 0.38 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.36 1cff n LYS 94 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1cff h ASP 95 N 0.00 -0.29 0.00 3.14 3.04 -1.92 -3.48 116.42 116.90 1cff h ASP 95 Ca 0.00 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 1cff h ASP 95 Cb 0.00 0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.39 1cff h ASP 95 CO 0.00 -0.18 0.00 0.61 -2.04 0.00 0.00 179.24 177.63 1cff n GLY 96 N -1.23 0.78 1.77 7.15 0.00 0.18 -5.11 105.19 108.74 1cff n GLY 96 Ca -0.08 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1cff n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cff n ASN 97 N 0.00 0.12 0.00 1.61 4.13 -1.26 -5.06 115.26 114.79 1cff n ASN 97 Ca 0.00 0.41 0.00 0.00 1.68 0.00 0.00 54.58 56.67 1cff n ASN 97 Cb 0.00 0.24 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 1cff n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cff n GLY 98 N 1.98 1.10 3.69 7.41 0.00 -1.26 -4.85 105.19 113.25 1cff n GLY 98 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1cff n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cff s TYR 99 N 0.00 3.11 -1.03 1.61 2.02 -1.26 -3.77 117.35 118.03 1cff s TYR 99 Ca 0.00 0.12 -0.13 0.00 -0.37 0.00 0.00 57.07 56.69 1cff s TYR 99 Cb 0.00 -1.71 0.21 0.00 -0.40 0.00 0.00 41.96 40.07 1cff s TYR 99 CO 0.00 0.47 1.10 0.42 -1.57 0.00 0.00 175.55 175.96 1cff s ILE 100 N -1.03 5.47 0.18 2.71 1.01 -1.08 -4.87 121.20 123.60 1cff s ILE 100 Ca 0.18 -2.69 -0.20 0.00 0.00 0.00 0.00 60.65 57.94 1cff s ILE 100 Cb -0.11 -4.67 0.11 0.00 0.01 0.00 0.00 42.46 37.80 1cff s ILE 100 CO 0.08 -1.30 1.61 0.28 0.00 0.00 0.00 174.94 175.61 1cff h SER 101 N 7.43 -0.92 0.00 3.58 0.02 -1.94 -3.40 113.55 118.32 1cff h SER 101 Ca 0.19 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1cff h SER 101 Cb 0.94 0.47 0.00 0.00 0.14 0.00 0.00 62.40 63.95 1cff h SER 101 CO 1.01 -0.28 0.00 0.00 -1.14 0.00 0.00 176.83 176.42 1cff n ALA 102 N -3.01 0.00 -0.35 3.77 0.00 -1.26 -4.99 120.51 114.67 1cff n ALA 102 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.48 1cff n ALA 102 Cb 0.33 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.85 1cff n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cff h ALA 103 N 0.00 0.32 0.38 0.00 0.00 -1.98 0.33 119.26 118.31 1cff h ALA 103 Ca 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1cff h ALA 103 Cb 0.00 0.88 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1cff h ALA 103 CO 0.00 -0.54 -0.48 0.93 0.00 0.00 0.00 179.25 179.16 1cff h GLU 104 N -0.02 -0.87 -0.29 0.00 5.08 -1.92 -2.60 114.58 113.97 1cff h GLU 104 Ca 0.38 0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.83 1cff h GLU 104 Cb 0.63 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 1cff h GLU 104 CO -0.96 -0.58 -0.33 -0.07 -1.00 0.00 0.00 179.01 176.08 1cff h LEU 105 N -0.90 -1.11 -0.20 1.33 -0.00 -0.78 1.51 115.31 115.16 1cff h LEU 105 Ca -0.04 0.15 0.02 0.00 -0.00 0.00 0.00 57.88 58.01 1cff h LEU 105 Cb 0.81 0.46 -0.03 0.00 -0.00 0.00 0.00 40.66 41.90 1cff h LEU 105 CO -0.12 -0.22 -0.19 0.08 -0.00 0.00 0.00 178.44 177.99 1cff h ARG 106 N -0.19 -0.09 -0.10 1.13 0.11 -0.58 0.80 114.38 115.47 1cff h ARG 106 Ca 0.05 0.01 -0.09 0.00 0.10 0.00 0.00 59.98 60.05 1cff h ARG 106 Cb 0.33 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1cff h ARG 106 CO -0.38 -0.06 -0.27 1.25 0.10 0.00 0.00 179.97 180.61 1cff h HIS 107 N -0.09 0.46 -0.39 4.08 2.76 -1.33 -1.91 115.15 118.73 1cff h HIS 107 Ca 0.03 -0.18 -0.08 0.00 -2.20 0.00 0.00 60.37 57.95 1cff h HIS 107 Cb 0.18 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1cff h HIS 107 CO -0.75 0.89 -0.05 0.28 -1.30 0.00 0.00 177.93 176.99 1cff h VAL 108 N -0.10 1.27 0.00 5.26 2.07 0.22 -2.21 116.25 122.77 1cff h VAL 108 Ca -0.01 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1cff h VAL 108 Cb 0.89 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1cff h VAL 108 CO 0.06 0.37 -0.41 0.80 0.02 0.00 0.00 177.57 178.41 1cff n MET 109 N -4.39 0.24 0.05 1.57 0.00 0.28 -2.62 117.12 112.25 1cff n MET 109 Ca -0.01 0.11 -0.15 0.00 0.00 0.00 0.00 57.70 57.65 1cff n MET 109 Cb 0.33 -1.69 -0.14 0.00 0.00 0.00 0.00 33.22 31.71 1cff n MET 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1cff h THR 110 N 0.00 1.14 -0.25 1.12 1.03 -1.31 -3.18 112.91 111.45 1cff h THR 110 Ca 0.00 -2.82 -0.17 0.00 -0.01 0.00 0.00 66.41 63.41 1cff h THR 110 Cb 0.71 2.71 -0.00 0.00 -1.07 0.00 0.00 68.15 70.50 1cff h THR 110 CO 0.00 0.79 -0.52 -1.13 -0.01 0.00 0.00 175.52 174.65 1cff h ASN 111 N 0.05 0.80 -0.04 0.00 -0.73 -1.48 -2.86 115.58 111.33 1cff h ASN 111 Ca -0.24 -0.42 0.03 0.00 1.87 0.00 0.00 56.30 57.54 1cff h ASN 111 Cb 1.99 -0.23 -0.06 0.00 0.27 0.00 0.00 38.32 40.30 1cff h ASN 111 CO 0.14 1.17 -0.52 0.25 -0.37 0.00 0.00 177.43 178.10 1cff h LEU 112 N 0.56 -1.63 0.00 0.34 5.85 -1.59 -3.43 115.31 115.41 1cff h LEU 112 Ca 0.02 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1cff h LEU 112 Cb 1.10 0.63 0.00 0.00 0.37 0.00 0.00 40.66 42.76 1cff h LEU 112 CO 0.11 -0.51 0.00 0.61 -0.34 0.00 0.00 178.44 178.31 1cff n GLY 113 N -1.45 0.00 0.00 3.75 0.00 -1.23 -5.12 105.19 101.13 1cff n GLY 113 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1cff n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cff n GLU 114 N 0.00 0.00 -2.94 1.61 -0.58 -1.08 -5.05 120.64 112.60 1cff n GLU 114 Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 1cff n GLU 114 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1cff n GLU 114 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1cff n LYS 115 N 0.00 0.74 -2.56 3.49 4.81 -1.26 -4.26 118.16 119.12 1cff n LYS 115 Ca 0.00 -2.38 -0.41 0.00 -0.87 0.00 0.00 58.31 54.65 1cff n LYS 115 Cb 0.00 -1.36 -0.03 0.00 0.02 0.00 0.00 35.03 33.66 1cff n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1cff s LEU 116 N -0.88 3.32 1.04 3.14 1.43 -1.26 -5.00 118.68 120.46 1cff s LEU 116 Ca 0.33 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 1cff s LEU 116 Cb 0.20 -2.56 0.21 0.00 0.03 0.00 0.00 46.19 44.08 1cff s LEU 116 CO -0.19 -1.71 1.09 0.42 0.23 0.00 0.00 176.35 176.19 1cff s THR 117 N 5.42 2.06 0.62 5.49 -4.23 -1.26 -4.38 115.64 119.36 1cff s THR 117 Ca 0.39 0.02 0.32 0.00 -1.18 0.00 0.00 61.69 61.24 1cff s THR 117 Cb -0.05 -2.06 0.37 0.00 1.34 0.00 0.00 72.50 72.09 1cff s THR 117 CO 0.06 -0.03 2.12 -0.78 -0.54 0.00 0.00 174.62 175.46 1cff h ASP 118 N -2.25 0.00 0.08 3.99 1.82 -1.96 0.85 116.42 118.95 1cff h ASP 118 Ca -0.52 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.11 1cff h ASP 118 Cb 1.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.31 1cff h ASP 118 CO 0.46 0.00 -0.04 -0.33 -1.61 0.00 0.00 179.24 177.72 1cff h GLU 119 N 0.00 -0.10 -0.22 0.28 5.08 -1.99 -2.73 114.58 114.89 1cff h GLU 119 Ca 0.05 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1cff h GLU 119 Cb 0.43 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1cff h GLU 119 CO -0.00 -0.07 -0.25 1.05 -1.00 0.00 0.00 179.01 178.74 1cff h GLU 120 N -0.66 0.42 -0.39 2.33 4.11 -1.84 -2.80 114.58 115.74 1cff h GLU 120 Ca -0.01 -0.15 -0.11 0.00 0.07 0.00 0.00 59.36 59.15 1cff h GLU 120 Cb 0.08 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1cff h GLU 120 CO 0.02 0.65 -0.22 -0.24 0.07 0.00 0.00 179.01 179.29 1cff h VAL 121 N 0.37 1.27 0.54 -1.06 3.04 0.56 -0.63 116.25 120.35 1cff h VAL 121 Ca 0.06 -1.33 -0.03 0.00 -1.01 0.00 0.00 66.70 64.39 1cff h VAL 121 Cb 0.65 1.20 0.01 0.00 -2.01 0.00 0.00 31.29 31.13 1cff h VAL 121 CO 0.05 0.44 -0.26 -0.78 -1.01 0.00 0.00 177.57 176.01 1cff h ASP 122 N 0.68 -0.62 -0.67 3.17 3.58 -1.30 -2.17 116.42 119.10 1cff h ASP 122 Ca 0.09 0.02 0.15 0.00 0.42 0.00 0.00 57.03 57.72 1cff h ASP 122 Cb 0.73 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.90 1cff h ASP 122 CO 0.06 -0.36 0.46 -0.33 -2.88 0.00 0.00 179.24 176.18 1cff h GLU 123 N -0.88 0.23 -0.15 0.28 4.39 -1.56 -0.45 114.58 116.44 1cff h GLU 123 Ca -0.07 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1cff h GLU 123 Cb 0.56 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1cff h GLU 123 CO 0.12 0.15 0.08 1.98 -1.16 0.00 0.00 179.01 180.19 1cff h MET 124 N 0.24 0.17 0.00 2.33 4.05 -0.97 0.10 114.93 120.85 1cff h MET 124 Ca 0.32 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.73 1cff h MET 124 Cb 0.94 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.70 1cff h MET 124 CO -0.07 0.11 0.00 0.82 0.23 0.00 0.00 176.91 178.00 1cff h ILE 125 N 0.17 0.00 0.01 1.77 1.08 -0.46 0.34 117.51 120.42 1cff h ILE 125 Ca 0.06 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1cff h ILE 125 Cb -0.00 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1cff h ILE 125 CO -0.03 0.00 -0.00 0.03 -0.69 0.00 0.00 178.15 177.45 1cff h ARG 126 N 0.00 -0.01 -0.00 2.37 -0.00 0.10 -1.44 114.38 115.39 1cff h ARG 126 Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.98 59.34 1cff h ARG 126 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.39 1cff h ARG 126 CO 0.00 0.80 -0.66 0.93 0.00 0.00 0.00 179.97 181.04 1cff h GLU 127 N -0.88 0.01 -0.51 0.04 3.07 -0.73 -2.98 114.58 112.60 1cff h GLU 127 Ca -0.00 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.75 1cff h GLU 127 Cb 0.82 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.71 1cff h GLU 127 CO 0.00 0.67 -0.07 0.00 -1.40 0.00 0.00 179.01 178.21 1cff h ALA 128 N 1.33 0.90 -1.45 3.43 0.00 -0.39 -3.41 119.26 119.67 1cff h ALA 128 Ca -0.01 -0.32 -0.55 0.00 0.00 0.00 0.00 54.91 54.03 1cff h ALA 128 Cb 1.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1cff h ALA 128 CO 0.09 0.64 1.56 -3.47 0.00 0.00 0.00 179.25 178.06 1cff n ASP 129 N -4.16 2.38 0.00 0.00 -0.08 -0.54 -4.88 116.55 109.26 1cff n ASP 129 Ca 0.02 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cff n ASP 129 Cb 0.37 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.38 1cff n ASP 129 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1cff n ILE 130 N 7.70 0.00 -0.38 5.18 -0.00 -1.26 -4.10 119.36 126.50 1cff n ILE 130 Ca 0.39 0.24 0.30 0.00 -0.00 0.00 0.00 62.75 63.68 1cff n ILE 130 Cb 0.40 -0.52 0.60 0.00 -0.00 0.00 0.00 39.64 40.12 1cff n ILE 130 CO 0.00 0.00 0.00 -2.24 -0.00 0.00 0.00 176.55 174.31 1cff h ASP 131 N 0.00 0.30 -3.75 4.38 3.04 -1.95 -3.46 116.42 114.99 1cff h ASP 131 Ca 0.00 0.09 -0.02 0.00 -3.24 0.00 0.00 57.03 53.86 1cff h ASP 131 Cb 0.00 0.05 0.02 0.00 -1.04 0.00 0.00 39.33 38.36 1cff h ASP 131 CO 0.00 -0.03 -0.07 0.61 -2.04 0.00 0.00 179.24 177.71 1cff n GLY 132 N -1.54 -0.36 0.08 7.15 0.00 -1.26 -4.99 105.19 104.27 1cff n GLY 132 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1cff n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cff n ASP 133 N -1.46 0.43 0.00 1.61 8.00 -1.26 -4.94 116.55 118.93 1cff n ASP 133 Ca -0.01 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1cff n ASP 133 Cb 0.51 0.83 0.00 0.00 -0.02 0.00 0.00 41.12 42.44 1cff n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cff n GLY 134 N 1.45 0.59 0.00 0.44 0.00 -1.26 -5.11 105.19 101.31 1cff n GLY 134 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1cff n GLY 134 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cff n GLN 135 N 0.00 0.00 -3.95 1.61 -0.06 -1.26 -5.10 117.38 108.61 1cff n GLN 135 Ca 0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.68 1cff n GLN 135 Cb 0.00 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.04 1cff n GLN 135 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1cff s VAL 136 N 0.05 2.57 -0.02 1.69 1.01 -1.26 -4.68 120.40 119.75 1cff s VAL 136 Ca 0.00 -2.59 -0.20 0.00 0.00 0.00 0.00 61.98 59.20 1cff s VAL 136 Cb 0.00 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1cff s VAL 136 CO 0.00 -0.68 0.56 0.54 0.00 0.00 0.00 175.10 175.52 1cff s ASN 137 N 0.71 6.91 0.51 3.32 4.22 -1.26 -2.62 114.94 126.73 1cff s ASN 137 Ca 0.12 1.09 0.43 0.00 -2.14 0.00 0.00 52.86 52.36 1cff s ASN 137 Cb -0.21 -2.34 1.64 0.00 1.28 0.00 0.00 41.25 41.62 1cff s ASN 137 CO -0.05 0.10 1.56 0.00 -2.04 0.00 0.00 177.10 176.67 1cff n TYR 138 N 2.81 0.28 -0.25 1.54 9.36 -1.25 0.17 117.16 129.83 1cff n TYR 138 Ca -0.07 0.28 0.28 0.00 3.32 0.00 0.00 57.90 61.71 1cff n TYR 138 Cb 0.51 -0.76 0.67 0.00 -0.63 0.00 0.00 39.34 39.14 1cff n TYR 138 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1cff h GLU 139 N 0.00 0.11 0.00 2.98 -0.00 -1.93 0.62 114.58 116.35 1cff h GLU 139 Ca 0.92 -0.01 -0.17 0.00 -0.00 0.00 0.00 59.36 60.10 1cff h GLU 139 Cb 3.41 -0.02 -0.03 0.00 -0.00 0.00 0.00 28.75 32.11 1cff h GLU 139 CO -0.19 0.07 -0.97 0.93 -0.00 0.00 0.00 179.01 178.85 1cff h GLU 140 N 0.11 0.00 -1.28 1.06 5.08 0.13 -2.84 114.58 116.84 1cff h GLU 140 Ca 0.49 0.00 0.37 0.00 -1.00 0.00 0.00 59.36 59.22 1cff h GLU 140 Cb 1.75 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.95 1cff h GLU 140 CO -0.07 0.91 0.94 0.35 -1.00 0.00 0.00 179.01 180.14 1cff h PHE 141 N -1.00 0.00 0.00 4.33 3.04 -0.79 0.20 116.94 122.72 1cff h PHE 141 Ca -0.26 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.69 1cff h PHE 141 Cb 1.17 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.68 1cff h PHE 141 CO 0.10 0.00 -0.17 0.28 -2.02 0.00 0.00 178.31 176.50 1cff h VAL 142 N 0.00 0.00 -1.40 1.41 2.07 0.02 -2.44 116.25 115.90 1cff h VAL 142 Ca 0.61 -0.35 0.41 0.00 0.82 0.00 0.00 66.70 68.18 1cff h VAL 142 Cb 2.49 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 1cff h VAL 142 CO -0.01 0.00 1.09 1.56 0.02 0.00 0.00 177.57 180.23 1cff h GLN 143 N -0.35 0.00 0.09 1.57 4.20 -1.23 1.17 115.11 120.56 1cff h GLN 143 Ca 0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 1cff h GLN 143 Cb 0.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1cff h GLN 143 CO 0.00 0.00 -1.97 0.00 -0.67 0.00 0.00 178.83 176.19 1cff n MET 144 N -3.92 0.73 -0.05 1.46 0.00 0.66 -4.10 117.12 111.90 1cff n MET 144 Ca 0.31 0.26 -0.04 0.00 0.00 0.00 0.00 57.70 58.23 1cff n MET 144 Cb 1.53 -1.72 -0.01 0.00 0.00 0.00 0.00 33.22 33.02 1cff n MET 144 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 1cff n MET 145 N -3.37 0.30 -0.35 3.17 0.00 0.13 -2.95 117.12 114.05 1cff n MET 145 Ca -0.29 0.35 0.01 0.00 -0.00 0.00 0.00 57.70 57.77 1cff n MET 145 Cb 1.05 -1.28 0.08 0.00 0.00 0.00 0.00 33.22 33.07 1cff n MET 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1cff h THR 146 N -0.63 0.04 -0.66 1.12 1.03 0.99 0.68 112.91 115.48 1cff h THR 146 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 66.41 65.99 1cff h THR 146 Cb 0.40 0.04 -0.24 0.00 -1.07 0.00 0.00 68.15 67.28 1cff h THR 146 CO 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 175.52 175.60 1cff n ALA 147 N -3.48 5.09 -0.42 0.00 0.00 -1.17 -5.04 120.51 115.49 1cff n ALA 147 Ca 0.12 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.25 1cff n ALA 147 Cb 0.43 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1cff n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13