#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 -4.97 -0.02 0.00 -0.08 -1.26 -4.92 116.55 105.30 1cff n ASP 2 Ca 0.00 0.58 -0.13 0.00 -1.51 0.00 0.00 54.79 53.73 1cff n ASP 2 Cb 0.00 -2.57 -0.10 0.00 2.34 0.00 0.00 41.12 40.79 1cff n ASP 2 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1cff h GLN 3 N 1.76 0.02 -6.67 -0.67 5.75 -1.96 -3.41 115.11 109.92 1cff h GLN 3 Ca 0.00 -0.01 -0.56 0.00 -0.15 0.00 0.00 58.65 57.93 1cff h GLN 3 Cb 0.00 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.48 1cff h GLN 3 CO 0.00 0.51 0.90 -1.17 -2.65 0.00 0.00 178.83 176.43 1cff s LEU 4 N -9.20 3.66 0.35 -2.39 0.20 -1.26 -5.01 118.68 105.03 1cff s LEU 4 Ca -0.16 0.45 -0.26 0.00 0.69 0.00 0.00 54.13 54.85 1cff s LEU 4 Cb 0.02 -3.53 -0.09 0.00 -0.43 0.00 0.00 46.19 42.16 1cff s LEU 4 CO 0.68 -1.24 1.07 0.42 -0.29 0.00 0.00 176.35 176.99 1cff s THR 5 N 4.40 3.63 -0.49 3.68 -4.23 -1.26 -4.95 115.64 116.42 1cff s THR 5 Ca 0.47 1.41 0.23 0.00 -1.18 0.00 0.00 61.69 62.63 1cff s THR 5 Cb -0.07 -3.81 -0.08 0.00 1.34 0.00 0.00 72.50 69.87 1cff s THR 5 CO 0.31 0.17 1.03 -0.62 -0.54 0.00 0.00 174.62 174.97 1cff n GLU 6 N 0.49 0.39 0.17 3.99 1.02 -1.26 -3.72 120.64 121.71 1cff n GLU 6 Ca 0.02 0.02 -0.07 0.00 -0.02 0.00 0.00 57.16 57.12 1cff n GLU 6 Cb 0.48 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 1cff n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1cff h GLU 7 N 0.00 -0.42 0.00 3.49 4.22 -1.98 1.24 114.58 121.13 1cff h GLU 7 Ca 0.00 0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.44 1cff h GLU 7 Cb 0.81 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1cff h GLU 7 CO 0.00 -0.28 -0.16 1.96 -2.18 0.00 0.00 179.01 178.36 1cff h GLN 8 N -0.50 0.00 -0.37 1.92 4.20 -2.01 0.58 115.11 118.93 1cff h GLN 8 Ca -0.04 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1cff h GLN 8 Cb 0.33 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1cff h GLN 8 CO 0.07 0.16 -0.19 0.82 -0.67 0.00 0.00 178.83 179.02 1cff h ILE 9 N 0.00 1.26 -0.99 2.54 5.03 -1.62 -2.30 117.51 121.43 1cff h ILE 9 Ca -0.00 -1.25 0.24 0.00 -0.12 0.00 0.00 64.86 63.73 1cff h ILE 9 Cb 0.30 1.18 -0.12 0.00 -3.03 0.00 0.00 36.82 35.15 1cff h ILE 9 CO 0.02 0.41 0.58 0.00 -0.68 0.00 0.00 178.15 178.48 1cff h ALA 10 N 1.18 1.74 -0.45 1.87 0.00 0.40 1.40 119.26 125.40 1cff h ALA 10 Ca 0.09 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1cff h ALA 10 Cb 0.66 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1cff h ALA 10 CO 0.05 -0.25 0.09 0.93 0.00 0.00 0.00 179.25 180.07 1cff h GLU 11 N 0.59 0.73 -0.65 0.00 5.08 -1.39 1.31 114.58 120.26 1cff h GLU 11 Ca 0.63 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.82 1cff h GLU 11 Cb 1.16 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1cff h GLU 11 CO -0.47 0.74 0.43 0.35 -1.00 0.00 0.00 179.01 179.06 1cff h PHE 12 N 0.60 0.79 -0.11 4.33 3.04 0.13 -0.03 116.94 125.69 1cff h PHE 12 Ca 0.14 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.94 1cff h PHE 12 Cb 0.35 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1cff h PHE 12 CO 0.02 0.48 -0.63 -0.22 -2.02 0.00 0.00 178.31 175.94 1cff h LYS 13 N 0.84 0.42 -0.85 1.11 3.64 0.26 -0.10 116.57 121.89 1cff h LYS 13 Ca 0.25 -0.30 0.15 0.00 -1.27 0.00 0.00 60.65 59.48 1cff h LYS 13 Cb -0.04 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 1cff h LYS 13 CO -0.06 0.92 0.56 0.93 -2.27 0.00 0.00 179.45 179.52 1cff h GLU 14 N 0.31 0.57 0.00 1.90 4.39 0.36 1.26 114.58 123.36 1cff h GLU 14 Ca -0.01 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1cff h GLU 14 Cb 1.18 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 1cff h GLU 14 CO 0.11 0.38 -0.66 0.00 -1.16 0.00 0.00 179.01 177.68 1cff h ALA 15 N 1.61 0.13 -0.13 3.43 0.00 -1.32 -2.23 119.26 120.76 1cff h ALA 15 Ca 0.43 -0.82 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1cff h ALA 15 Cb 0.80 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1cff h ALA 15 CO -0.18 0.38 0.38 0.35 0.00 0.00 0.00 179.25 180.18 1cff h PHE 16 N -1.00 0.00 0.05 0.00 3.57 -0.43 2.49 116.94 121.62 1cff h PHE 16 Ca -0.17 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 60.98 1cff h PHE 16 Cb 1.06 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 1cff h PHE 16 CO 0.14 0.00 -2.02 0.43 -2.23 0.00 0.00 178.31 174.63 1cff n SER 17 N -3.14 1.46 0.02 0.41 7.64 0.43 -3.79 113.62 116.64 1cff n SER 17 Ca 0.01 0.20 -0.20 0.00 1.01 0.00 0.00 58.87 59.89 1cff n SER 17 Cb 0.46 -0.33 -0.14 0.00 -1.01 0.00 0.00 64.21 63.20 1cff n SER 17 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1cff h LEU 18 N 0.03 0.37 -1.92 -3.43 4.07 -0.20 -3.24 115.31 110.99 1cff h LEU 18 Ca -0.42 -0.90 0.18 0.00 0.08 0.00 0.00 57.88 56.82 1cff h LEU 18 Cb 2.03 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 43.63 1cff h LEU 18 CO 0.05 1.44 0.56 0.15 -1.08 0.00 0.00 178.44 179.56 1cff h PHE 19 N -0.45 0.00 0.00 1.13 3.57 0.39 1.32 116.94 122.91 1cff h PHE 19 Ca -0.19 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 1cff h PHE 19 Cb 1.60 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.34 1cff h PHE 19 CO 0.18 0.00 -0.02 0.22 -2.23 0.00 0.00 178.31 176.45 1cff h ASP 20 N 0.00 0.00 -6.54 0.41 3.58 -1.65 -3.45 116.42 108.77 1cff h ASP 20 Ca 0.29 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 57.23 1cff h ASP 20 Cb 1.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.46 1cff h ASP 20 CO -0.00 0.02 -0.95 1.17 -2.88 0.00 0.00 179.24 176.60 1cff n LYS 21 N -3.20 -1.50 0.00 0.28 3.00 0.45 -4.55 118.16 112.64 1cff n LYS 21 Ca -0.02 0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 1cff n LYS 21 Cb 0.18 -3.78 0.00 0.00 0.00 0.00 0.00 35.03 31.43 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 -2.64 0.00 -0.90 3.14 5.75 -1.26 -4.95 116.55 115.68 1cff n ASP 22 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 1cff n ASP 22 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 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 0.00 0.51 0.03 6.12 0.00 -1.26 -4.99 105.19 105.60 1cff n GLY 23 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.67 0.97 0.00 1.61 2.03 -1.26 -5.00 116.55 114.24 1cff n ASP 24 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1cff n ASP 24 Cb 0.48 1.51 0.00 0.00 -0.72 0.00 0.00 41.12 42.39 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 1.66 0.44 3.32 0.27 0.00 -1.26 -5.02 105.19 104.60 1cff n GLY 25 Ca -0.11 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.24 -0.50 2.61 -4.23 -1.26 -4.64 115.64 105.38 1cff s THR 26 Ca 0.00 0.10 -0.23 0.00 -1.18 0.00 0.00 61.69 60.38 1cff s THR 26 Cb 0.00 -0.68 0.04 0.00 1.34 0.00 0.00 72.50 73.20 1cff s THR 26 CO 0.00 0.04 0.82 -0.63 -0.54 0.00 0.00 174.62 174.31 1cff s ILE 27 N 1.84 4.59 0.46 2.99 -1.09 -0.41 -4.85 121.20 124.74 1cff s ILE 27 Ca -0.07 0.22 0.06 0.00 -2.23 0.00 0.00 60.65 58.63 1cff s ILE 27 Cb -0.09 -4.40 -0.03 0.00 -1.58 0.00 0.00 42.46 36.36 1cff s ILE 27 CO -0.14 -0.88 0.19 0.42 -1.23 0.00 0.00 174.94 173.30 1cff s THR 28 N 3.44 1.95 0.63 2.92 -4.23 -1.26 -2.03 115.64 117.06 1cff s THR 28 Ca 0.28 -1.71 0.32 0.00 -1.18 0.00 0.00 61.69 59.40 1cff s THR 28 Cb -0.13 -2.66 0.36 0.00 1.34 0.00 0.00 72.50 71.40 1cff s THR 28 CO 0.20 0.00 2.06 0.71 -0.54 0.00 0.00 174.62 177.05 1cff h THR 29 N 1.27 0.20 0.48 3.99 1.35 -1.95 0.39 112.91 118.63 1cff h THR 29 Ca -0.42 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.42 1cff h THR 29 Cb 1.27 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1cff h THR 29 CO 0.68 0.00 -0.32 0.50 -0.25 0.00 0.00 175.52 176.13 1cff h LYS 30 N 0.00 -0.73 0.09 4.72 3.11 -1.96 1.12 116.57 122.92 1cff h LYS 30 Ca 0.05 0.05 -0.25 0.00 -2.81 0.00 0.00 60.65 57.69 1cff h LYS 30 Cb 0.55 0.17 0.02 0.00 -1.00 0.00 0.00 32.23 31.97 1cff h LYS 30 CO -0.00 -0.49 -1.04 1.05 -2.81 0.00 0.00 179.45 176.16 1cff h GLU 31 N -0.76 0.54 -0.92 1.90 9.09 -1.73 -2.33 114.58 120.37 1cff h GLU 31 Ca -0.06 -0.70 -0.01 0.00 0.05 0.00 0.00 59.36 58.63 1cff h GLU 31 Cb 0.62 0.23 -0.04 0.00 -1.65 0.00 0.00 28.75 27.91 1cff h GLU 31 CO 0.04 1.30 0.53 1.25 0.05 0.00 0.00 179.01 182.19 1cff h LEU 32 N 0.10 1.12 -0.93 3.06 6.46 -1.00 -1.53 115.31 122.60 1cff h LEU 32 Ca -0.16 -0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.42 1cff h LEU 32 Cb 1.74 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 41.37 1cff h LEU 32 CO 0.20 0.88 -0.47 1.23 -0.62 0.00 0.00 178.44 179.66 1cff h GLY 33 N 1.27 0.00 0.70 3.75 0.00 0.13 -2.06 103.07 106.85 1cff h GLY 33 Ca 0.33 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.68 1cff h GLY 33 CO -0.06 0.00 -0.06 -0.84 0.00 0.00 0.00 176.54 175.59 1cff h THR 34 N 0.00 0.82 0.00 4.70 2.02 -0.70 1.31 112.91 121.06 1cff h THR 34 Ca -0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1cff h THR 34 Cb 0.94 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1cff h THR 34 CO 0.06 0.00 -0.52 0.58 0.37 0.00 0.00 175.52 176.01 1cff h VAL 35 N -0.04 1.06 0.00 3.16 2.07 -1.48 -1.19 116.25 119.81 1cff h VAL 35 Ca 0.07 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.55 1cff h VAL 35 Cb 0.14 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1cff h VAL 35 CO -0.15 0.51 -0.25 0.80 0.02 0.00 0.00 177.57 178.51 1cff n MET 36 N -3.45 0.09 -0.08 1.57 0.00 -0.77 -1.04 117.12 113.44 1cff n MET 36 Ca 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 57.70 57.67 1cff n MET 36 Cb 0.64 -1.58 -0.12 0.00 0.00 0.00 0.00 33.22 32.16 1cff n MET 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1cff n ARG 37 N -1.73 1.34 0.04 2.12 1.74 0.44 0.21 116.66 120.82 1cff n ARG 37 Ca 0.06 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.26 1cff n ARG 37 Cb 0.37 -1.40 0.10 0.00 -1.02 0.00 0.00 32.46 30.51 1cff n ARG 37 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1cff n SER 38 N -2.64 0.65 0.09 0.55 7.64 -0.46 -4.22 113.62 115.23 1cff n SER 38 Ca -0.27 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1cff n SER 38 Cb 0.99 0.47 0.00 0.00 -1.01 0.00 0.00 64.21 64.66 1cff n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1cff n LEU 39 N -2.02 -0.02 0.15 -3.43 4.32 -0.75 -4.83 117.00 110.42 1cff n LEU 39 Ca 0.03 0.31 0.10 0.00 -0.02 0.00 0.00 56.01 56.42 1cff n LEU 39 Cb 0.44 0.22 0.53 0.00 -1.62 0.00 0.00 43.42 42.98 1cff n LEU 39 CO 0.38 -0.69 0.80 0.61 -1.22 0.00 0.00 177.39 177.26 1cff n GLY 40 N 1.75 -0.82 3.03 -0.72 0.00 -0.20 -4.69 105.19 103.54 1cff n GLY 40 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1cff n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cff n GLN 41 N -2.18 0.00 0.12 1.61 10.64 0.55 -3.98 117.38 124.14 1cff n GLN 41 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1cff n GLN 41 Cb 0.04 -0.92 0.00 0.00 -0.86 0.00 0.00 30.24 28.50 1cff n GLN 41 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1cff n ASN 42 N 5.30 -2.24 -3.44 2.61 5.03 -1.26 -5.03 115.26 116.24 1cff n ASN 42 Ca 0.59 0.50 0.00 0.00 0.87 0.00 0.00 54.58 56.53 1cff n ASN 42 Cb 0.11 2.30 0.00 0.00 -1.02 0.00 0.00 39.78 41.17 1cff n ASN 42 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1cff n PRO 43 N -3.00 0.59 -1.71 3.52 -0.02 -1.26 -4.99 135.00 128.14 1cff n PRO 43 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 1cff n PRO 43 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 33.53 1cff n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1cff s THR 44 N -0.18 3.26 0.28 3.45 -4.23 -1.26 -4.94 115.64 112.02 1cff s THR 44 Ca 0.00 0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 61.07 1cff s THR 44 Cb 0.00 -3.09 0.15 0.00 1.34 0.00 0.00 72.50 70.90 1cff s THR 44 CO 0.00 -0.38 1.82 -0.33 -0.54 0.00 0.00 174.62 175.19 1cff h GLU 45 N -0.07 0.78 0.00 3.99 5.08 -2.02 -2.44 114.58 119.90 1cff h GLU 45 Ca -0.46 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1cff h GLU 45 Cb 1.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1cff h GLU 45 CO 0.54 0.73 -0.06 0.00 -1.00 0.00 0.00 179.01 179.22 1cff h ALA 46 N 1.35 0.97 -1.47 3.43 0.00 -2.02 -3.35 119.26 118.16 1cff h ALA 46 Ca 0.16 0.00 0.49 0.00 0.00 0.00 0.00 54.91 55.56 1cff h ALA 46 Cb 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.99 1cff h ALA 46 CO 0.00 0.00 0.97 1.05 0.00 0.00 0.00 179.25 181.28 1cff h GLU 47 N 0.00 0.01 -0.43 0.00 -0.00 -1.80 1.47 114.58 113.82 1cff h GLU 47 Ca 0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 59.36 59.39 1cff h GLU 47 Cb 0.92 -0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.63 1cff h GLU 47 CO 0.00 0.01 0.24 1.37 -0.00 0.00 0.00 179.01 180.63 1cff h LEU 48 N 0.01 0.37 -1.47 3.06 8.10 -1.77 1.31 115.31 124.93 1cff h LEU 48 Ca 0.89 0.01 -0.02 0.00 0.11 0.00 0.00 57.88 58.87 1cff h LEU 48 Cb 2.96 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 43.10 1cff h LEU 48 CO -0.39 0.26 0.13 -0.61 -4.11 0.00 0.00 178.44 173.73 1cff h GLN 49 N 0.48 0.49 -0.05 0.17 5.75 0.17 0.95 115.11 123.06 1cff h GLN 49 Ca 0.18 -0.06 -0.14 0.00 -0.15 0.00 0.00 58.65 58.48 1cff h GLN 49 Cb 0.05 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 1cff h GLN 49 CO -0.10 0.41 -0.60 0.22 -2.65 0.00 0.00 178.83 176.11 1cff h ASP 50 N 0.49 0.21 0.15 -0.69 3.58 0.08 0.58 116.42 120.81 1cff h ASP 50 Ca 0.12 -0.12 -0.27 0.00 0.42 0.00 0.00 57.03 57.18 1cff h ASP 50 Cb 0.11 -0.06 0.02 0.00 1.72 0.00 0.00 39.33 41.12 1cff h ASP 50 CO -0.01 0.76 -1.11 -0.03 -2.88 0.00 0.00 179.24 175.97 1cff h MET 51 N 0.14 0.60 -0.09 0.28 4.05 0.35 -1.02 114.93 119.24 1cff h MET 51 Ca -0.01 -0.71 -0.20 0.00 -0.28 0.00 0.00 59.70 58.51 1cff h MET 51 Cb 1.10 0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 32.11 1cff h MET 51 CO 0.09 1.30 -0.76 0.82 0.23 0.00 0.00 176.91 178.59 1cff h ILE 52 N 0.30 1.36 0.00 1.77 1.08 0.94 -3.08 117.51 119.89 1cff h ILE 52 Ca -0.14 -2.14 -0.08 0.00 -0.39 0.00 0.00 64.86 62.11 1cff h ILE 52 Cb 1.77 2.12 -0.01 0.00 -3.07 0.00 0.00 36.82 37.63 1cff h ILE 52 CO 0.21 0.65 -0.37 -1.13 -0.69 0.00 0.00 178.15 176.81 1cff h ASN 53 N 0.33 0.00 0.22 1.72 -0.73 0.12 -2.72 115.58 114.51 1cff h ASN 53 Ca -0.04 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.04 1cff h ASN 53 Cb 1.36 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.93 1cff h ASN 53 CO 0.14 0.37 -0.35 -0.33 -0.37 0.00 0.00 177.43 176.89 1cff h GLU 54 N 0.00 0.19 -0.00 6.67 4.39 -1.09 -2.40 114.58 122.34 1cff h GLU 54 Ca -0.00 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1cff h GLU 54 Cb 1.08 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1cff h GLU 54 CO 0.05 0.52 -0.49 0.28 -1.16 0.00 0.00 179.01 178.21 1cff n VAL 55 N -4.09 0.00 -0.71 3.13 0.31 -1.16 -4.56 118.33 111.26 1cff n VAL 55 Ca -0.01 -0.02 -0.20 0.00 -0.01 0.00 0.00 64.34 64.10 1cff n VAL 55 Cb 0.42 0.31 -0.03 0.00 -0.91 0.00 0.00 33.84 33.63 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1cff n ASP 56 N -1.38 4.62 -0.13 4.52 8.00 -0.90 -4.47 116.55 126.79 1cff n ASP 56 Ca 0.06 -2.28 0.04 0.00 0.71 0.00 0.00 54.79 53.33 1cff n ASP 56 Cb 0.34 -1.05 0.35 0.00 -0.02 0.00 0.00 41.12 40.74 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 6.03 1.65 0.00 2.24 0.00 -1.83 -1.54 119.26 125.81 1cff h ALA 57 Ca 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1cff h ALA 57 Cb 0.26 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1cff h ALA 57 CO 1.28 0.28 -1.94 -0.40 0.00 0.00 0.00 179.25 178.47 1cff n ASP 58 N -4.46 0.35 -4.03 0.00 5.68 -1.26 -4.25 116.55 108.57 1cff n ASP 58 Ca 0.08 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.97 1cff n ASP 58 Cb 0.13 1.90 0.00 0.00 -1.14 0.00 0.00 41.12 42.00 1cff n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 59 N 1.36 -0.70 0.12 6.12 0.00 -0.58 -4.86 105.19 106.64 1cff n GLY 59 Ca -0.05 0.32 0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.31 0.00 0.00 1.61 -1.07 -1.95 -3.48 115.58 108.38 1cff h ASN 60 Ca -0.69 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.68 1cff h ASN 60 Cb 1.39 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.64 1cff h ASN 60 CO 0.55 0.48 0.00 0.61 0.07 0.00 0.00 177.43 179.14 1cff n GLY 61 N 1.30 1.82 0.38 9.14 0.00 -1.26 -5.15 105.19 111.42 1cff n GLY 61 Ca -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.00 -2.77 2.61 -2.24 -1.26 -5.06 114.28 105.55 1cff n THR 62 Ca 0.00 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1cff n THR 62 Cb 0.00 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.48 4.45 0.09 2.28 -1.09 -0.86 -4.91 121.20 118.68 1cff s ILE 63 Ca 0.03 0.97 0.04 0.00 -2.23 0.00 0.00 60.65 59.46 1cff s ILE 63 Cb -0.00 -4.44 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 1cff s ILE 63 CO 0.02 -0.79 0.04 1.51 -1.23 0.00 0.00 174.94 174.49 1cff s ASP 64 N 2.19 5.26 0.28 3.58 -4.77 -1.26 -1.28 116.67 120.67 1cff s ASP 64 Ca 0.39 -0.10 0.01 0.00 -3.30 0.00 0.00 52.55 49.56 1cff s ASP 64 Cb -0.10 -1.33 0.69 0.00 -1.09 0.00 0.00 42.92 41.08 1cff s ASP 64 CO 0.25 0.17 1.65 0.15 0.70 0.00 0.00 175.17 178.09 1cff h PHE 65 N 3.36 0.32 0.18 2.11 3.57 -1.96 -0.54 116.94 123.98 1cff h PHE 65 Ca -0.47 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.09 1cff h PHE 65 Cb 1.16 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 1cff h PHE 65 CO 0.61 -0.21 -0.28 -1.35 -2.23 0.00 0.00 178.31 174.84 1cff h PRO 66 N 0.20 -0.52 -0.41 6.41 0.11 -1.98 0.86 132.00 136.68 1cff h PRO 66 Ca 0.54 0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.56 1cff h PRO 66 Cb 1.08 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1cff h PRO 66 CO -0.65 -0.35 -0.22 1.05 -0.21 0.00 0.00 178.00 177.62 1cff h GLU 67 N -0.54 0.87 -0.10 1.05 4.11 -1.77 -1.73 114.58 116.47 1cff h GLU 67 Ca 0.01 -0.39 -0.10 0.00 0.07 0.00 0.00 59.36 58.95 1cff h GLU 67 Cb 0.54 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1cff h GLU 67 CO -0.12 1.04 -0.40 0.35 0.07 0.00 0.00 179.01 179.94 1cff h PHE 68 N 0.69 0.26 0.00 2.06 3.04 -1.00 -1.89 116.94 120.10 1cff h PHE 68 Ca 0.09 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1cff h PHE 68 Cb 0.79 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.24 1cff h PHE 68 CO 0.06 0.60 0.00 -0.11 -2.02 0.00 0.00 178.31 176.84 1cff n LEU 69 N -4.03 0.74 -0.23 0.59 7.94 0.30 -2.69 117.00 119.61 1cff n LEU 69 Ca -0.01 0.50 0.03 0.00 -1.11 0.00 0.00 56.01 55.42 1cff n LEU 69 Cb 0.47 -0.28 0.13 0.00 0.53 0.00 0.00 43.42 44.27 1cff n LEU 69 CO 0.41 -0.28 0.83 0.71 -1.11 0.00 0.00 177.39 177.95 1cff h THR 70 N 0.00 0.41 -0.34 1.96 1.35 -1.45 0.56 112.91 115.41 1cff h THR 70 Ca 0.00 -0.04 0.07 0.00 -0.55 0.00 0.00 66.41 65.90 1cff h THR 70 Cb 0.00 0.29 -0.08 0.00 -1.73 0.00 0.00 68.15 66.63 1cff h THR 70 CO 0.00 0.02 -0.25 -0.03 -0.25 0.00 0.00 175.52 175.01 1cff h MET 71 N 0.12 -0.21 -0.05 4.72 1.85 -1.49 1.17 114.93 121.05 1cff h MET 71 Ca 0.37 0.01 -0.17 0.00 -0.61 0.00 0.00 59.70 59.31 1cff h MET 71 Cb 0.63 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.70 1cff h MET 71 CO -0.60 -0.14 -0.72 0.52 -0.40 0.00 0.00 176.91 175.57 1cff h MET 72 N -0.21 0.25 0.19 0.39 2.07 -1.03 -3.31 114.93 113.28 1cff h MET 72 Ca 0.17 -0.21 -0.01 0.00 -2.07 0.00 0.00 59.70 57.58 1cff h MET 72 Cb 0.48 0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.26 1cff h MET 72 CO -0.46 0.87 -0.09 0.00 1.07 0.00 0.00 176.91 178.29 1cff h ALA 73 N 1.07 -0.46 -2.98 6.32 0.00 0.11 -3.42 119.26 119.89 1cff h ALA 73 Ca -0.02 -0.06 -0.71 0.00 0.00 0.00 0.00 54.91 54.12 1cff h ALA 73 Cb 1.28 0.10 -0.31 0.00 0.00 0.00 0.00 17.79 18.86 1cff h ALA 73 CO 0.11 -0.45 -0.52 -0.98 0.00 0.00 0.00 179.25 177.42 1cff s ARG 74 N -2.52 2.39 0.00 0.00 1.70 0.39 -5.01 118.95 115.91 1cff s ARG 74 Ca -0.04 -1.56 0.00 0.00 -0.47 0.00 0.00 55.73 53.66 1cff s ARG 74 Cb 0.00 -3.65 0.00 0.00 -0.57 0.00 0.00 34.95 30.73 1cff s ARG 74 CO 0.11 -0.96 0.46 1.63 -1.08 0.00 0.00 175.30 175.46 1cff n LYS 75 N 4.78 0.00 -1.26 3.89 5.02 -1.25 -4.37 118.16 124.97 1cff n LYS 75 Ca -0.08 0.09 0.15 0.00 -2.02 0.00 0.00 58.31 56.45 1cff n LYS 75 Cb 0.42 -0.98 -0.08 0.00 -0.02 0.00 0.00 35.03 34.37 1cff n LYS 75 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1cff n MET 76 N -0.77 -2.92 -3.03 1.97 1.56 -1.26 -4.61 117.12 108.06 1cff n MET 76 Ca 0.00 2.38 -0.45 0.00 -0.27 0.00 0.00 57.70 59.37 1cff n MET 76 Cb 0.00 -3.42 -0.03 0.00 2.15 0.00 0.00 33.22 31.93 1cff n MET 76 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 1cff s LYS 77 N -4.08 3.45 0.00 2.12 2.47 -1.26 -4.92 119.74 117.52 1cff s LYS 77 Ca 0.00 -1.73 0.00 0.00 -1.56 0.00 0.00 55.97 52.68 1cff s LYS 77 Cb 0.00 -4.64 0.00 0.00 -1.46 0.00 0.00 37.83 31.73 1cff s LYS 77 CO 0.00 -1.64 0.00 -0.40 0.16 0.00 0.00 175.35 173.47 1cff n ASP 78 N 6.12 0.00 -2.69 1.43 5.68 -1.26 -5.06 116.55 120.77 1cff n ASP 78 Ca 0.13 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.37 1cff n ASP 78 Cb 0.47 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.55 1cff n ASP 78 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1cff n THR 79 N 1.28 0.00 -2.55 2.12 5.66 -1.26 -5.14 114.28 114.39 1cff n THR 79 Ca 0.00 -1.02 0.00 0.00 -3.05 0.00 0.00 64.05 59.98 1cff n THR 79 Cb 0.00 1.26 0.00 0.00 -1.55 0.00 0.00 70.33 70.04 1cff n THR 79 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1cff n ASP 80 N 0.47 0.00 -0.02 1.09 5.75 -1.26 -4.79 116.55 117.79 1cff n ASP 80 Ca -0.01 -0.45 -0.02 0.00 -0.01 0.00 0.00 54.79 54.31 1cff n ASP 80 Cb 0.73 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.81 1cff n ASP 80 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1cff h SER 81 N 0.00 -0.05 0.00 -1.12 0.02 -2.01 -3.40 113.55 106.99 1cff h SER 81 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1cff h SER 81 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1cff h SER 81 CO 0.00 0.46 0.00 1.21 -1.14 0.00 0.00 176.83 177.36 1cff n GLU 82 N -4.81 0.00 0.00 3.45 2.13 -1.26 -4.67 120.64 115.48 1cff n GLU 82 Ca -0.01 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.39 1cff n GLU 82 Cb 0.05 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1cff n GLU 82 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1cff n GLU 83 N -1.79 0.00 -3.92 5.31 -0.58 -1.26 -4.69 120.64 113.71 1cff n GLU 83 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 1cff n GLU 83 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1cff n GLU 83 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1cff s GLU 84 N 0.00 3.44 -0.51 3.49 2.02 -1.26 -4.17 118.70 121.71 1cff s GLU 84 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1cff s GLU 84 Cb 0.00 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1cff s GLU 84 CO 0.00 0.57 0.00 -0.89 0.02 0.00 0.00 175.26 174.96 1cff n ILE 85 N -0.08 0.00 0.11 -1.63 2.08 -1.26 -4.83 119.36 113.74 1cff n ILE 85 Ca -0.06 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.21 1cff n ILE 85 Cb 0.52 -0.97 0.06 0.00 -0.75 0.00 0.00 39.64 38.50 1cff n ILE 85 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1cff h ARG 86 N 0.21 0.04 0.06 0.38 9.65 -1.86 0.11 114.38 122.96 1cff h ARG 86 Ca -0.10 -0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 58.64 1cff h ARG 86 Cb 0.78 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1cff h ARG 86 CO 0.14 0.78 -0.52 1.49 2.80 0.00 0.00 179.97 184.66 1cff h GLU 87 N 0.02 0.13 0.00 0.20 4.81 -1.88 -2.73 114.58 115.14 1cff h GLU 87 Ca -0.01 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1cff h GLU 87 Cb 1.34 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 1cff h GLU 87 CO 0.10 1.10 -0.06 0.00 -0.73 0.00 0.00 179.01 179.42 1cff h ALA 88 N -0.02 1.42 -0.32 2.92 0.00 -1.95 0.52 119.26 121.83 1cff h ALA 88 Ca -0.11 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1cff h ALA 88 Cb 1.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1cff h ALA 88 CO 0.04 0.08 -0.29 0.35 0.00 0.00 0.00 179.25 179.43 1cff h PHE 89 N 0.00 0.91 0.00 0.00 3.57 -0.76 -0.14 116.94 120.51 1cff h PHE 89 Ca -0.00 -0.27 -0.10 0.00 3.53 0.00 0.00 57.97 61.13 1cff h PHE 89 Cb 0.17 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1cff h PHE 89 CO 0.00 1.03 -0.82 0.00 -2.23 0.00 0.00 178.31 176.29 1cff h ARG 90 N 0.52 0.00 -0.00 1.11 2.47 -0.98 -2.30 114.38 115.19 1cff h ARG 90 Ca 0.05 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.63 1cff h ARG 90 Cb 0.87 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.17 1cff h ARG 90 CO 0.07 0.30 -0.68 0.28 0.56 0.00 0.00 179.97 180.50 1cff h VAL 91 N 0.00 1.48 0.00 2.04 2.07 0.08 -3.23 116.25 118.69 1cff h VAL 91 Ca -0.05 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.16 1cff h VAL 91 Cb 1.35 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1cff h VAL 91 CO 0.04 0.66 -1.64 0.33 0.02 0.00 0.00 177.57 176.99 1cff n PHE 92 N -3.74 0.19 0.32 1.57 -0.00 -0.07 -4.27 117.46 111.46 1cff n PHE 92 Ca -0.01 0.06 0.07 0.00 -0.00 0.00 0.00 57.45 57.57 1cff n PHE 92 Cb 0.67 -0.52 0.32 0.00 -0.00 0.00 0.00 39.48 39.95 1cff n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1cff n ASP 93 N -2.23 0.24 0.00 -2.13 -0.08 -0.87 -4.66 116.55 106.83 1cff n ASP 93 Ca -0.02 0.57 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1cff n ASP 93 Cb 0.53 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.37 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 -1.78 0.00 -0.29 -0.67 3.00 -1.26 0.12 118.16 117.28 1cff n LYS 94 Ca 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.35 1cff n LYS 94 Cb 0.13 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.32 1cff n LYS 94 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1cff h ASP 95 N 0.00 0.68 0.00 3.14 3.04 -1.95 -3.47 116.42 117.86 1cff h ASP 95 Ca 0.00 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.83 1cff h ASP 95 Cb 0.00 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.20 1cff h ASP 95 CO 0.00 0.40 0.00 0.61 -2.04 0.00 0.00 179.24 178.21 1cff n GLY 96 N -1.32 0.73 0.84 7.15 0.00 0.32 -5.08 105.19 107.83 1cff n GLY 96 Ca 0.13 -0.75 -0.05 0.00 0.00 0.00 0.00 46.02 45.35 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 0.64 0.00 1.61 4.13 -1.26 -5.06 115.26 115.33 1cff n ASN 97 Ca 0.00 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1cff n ASN 97 Cb 0.00 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 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 2.78 1.46 3.90 7.41 0.00 -1.26 -5.11 105.19 114.38 1cff n GLY 98 Ca -0.08 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.28 3.46 -0.60 1.61 1.51 -1.26 -4.16 117.35 117.62 1cff s TYR 99 Ca 0.00 0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.26 1cff s TYR 99 Cb 0.00 -1.71 0.15 0.00 -0.11 0.00 0.00 41.96 40.29 1cff s TYR 99 CO 0.00 0.56 0.38 0.42 -1.11 0.00 0.00 175.55 175.80 1cff s ILE 100 N -1.56 3.16 0.05 2.71 1.01 -0.74 -4.94 121.20 120.89 1cff s ILE 100 Ca 0.34 -3.30 -0.27 0.00 0.00 0.00 0.00 60.65 57.42 1cff s ILE 100 Cb -0.12 -3.11 -0.17 0.00 0.01 0.00 0.00 42.46 39.07 1cff s ILE 100 CO 0.27 -0.87 1.48 -1.28 0.00 0.00 0.00 174.94 174.55 1cff h SER 101 N 6.57 -0.38 0.00 3.58 0.87 -1.90 -3.31 113.55 118.98 1cff h SER 101 Ca -0.02 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1cff h SER 101 Cb 0.90 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1cff h SER 101 CO 0.71 -0.14 0.00 0.00 -0.53 0.00 0.00 176.83 176.87 1cff n ALA 102 N -2.38 0.00 -0.17 6.23 0.00 -1.26 -4.83 120.51 118.10 1cff n ALA 102 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 1cff n ALA 102 Cb 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.33 -0.41 0.00 0.00 -1.98 1.40 119.26 117.95 1cff h ALA 103 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1cff h ALA 103 Cb 0.00 1.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1cff h ALA 103 CO 0.00 -0.51 0.19 1.05 0.00 0.00 0.00 179.25 179.97 1cff h GLU 104 N -0.05 0.59 -0.96 0.00 9.09 -1.94 -2.12 114.58 119.20 1cff h GLU 104 Ca 0.07 -0.09 0.19 0.00 0.05 0.00 0.00 59.36 59.58 1cff h GLU 104 Cb 0.22 -0.10 -0.08 0.00 -1.65 0.00 0.00 28.75 27.13 1cff h GLU 104 CO -0.41 0.53 0.61 -0.07 0.05 0.00 0.00 179.01 179.71 1cff h LEU 105 N 0.51 0.60 0.33 3.06 -0.00 -1.44 1.50 115.31 119.87 1cff h LEU 105 Ca 0.14 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 58.07 1cff h LEU 105 Cb 0.14 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1cff h LEU 105 CO -0.02 0.23 -0.16 -0.09 -0.00 0.00 0.00 178.44 178.41 1cff h ARG 106 N 0.60 -0.42 -0.04 1.13 9.65 0.25 -2.40 114.38 123.14 1cff h ARG 106 Ca 0.52 0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 59.31 1cff h ARG 106 Cb 1.02 0.10 0.01 0.00 -1.39 0.00 0.00 29.97 29.70 1cff h ARG 106 CO -0.27 -0.28 -0.43 1.25 2.80 0.00 0.00 179.97 183.04 1cff h HIS 107 N -0.60 0.50 -0.62 2.20 2.76 -1.11 -1.99 115.15 116.30 1cff h HIS 107 Ca -0.04 -0.25 -0.01 0.00 -2.20 0.00 0.00 60.37 57.87 1cff h HIS 107 Cb 0.34 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 1cff h HIS 107 CO 0.08 1.03 0.37 0.28 -1.30 0.00 0.00 177.93 178.39 1cff h VAL 108 N -0.17 1.18 0.00 5.26 2.07 0.19 -0.68 116.25 124.12 1cff h VAL 108 Ca -0.04 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1cff h VAL 108 Cb 1.12 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1cff h VAL 108 CO 0.09 0.19 -0.54 -0.03 0.02 0.00 0.00 177.57 177.30 1cff h MET 109 N 0.84 0.00 0.00 1.57 -1.53 -1.41 -1.91 114.93 112.49 1cff h MET 109 Ca 0.22 0.00 -0.20 0.00 -3.44 0.00 0.00 59.70 56.28 1cff h MET 109 Cb -0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.01 1cff h MET 109 CO -0.04 0.00 -1.36 0.00 0.14 0.00 0.00 176.91 175.65 1cff h THR 110 N 0.00 0.77 0.00 -0.77 1.03 -1.17 -3.30 112.91 109.47 1cff h THR 110 Ca 0.00 -2.38 -0.19 0.00 -0.01 0.00 0.00 66.41 63.83 1cff h THR 110 Cb 0.77 2.28 -0.03 0.00 -1.07 0.00 0.00 68.15 70.10 1cff h THR 110 CO 0.00 0.44 -1.49 -3.20 -0.01 0.00 0.00 175.52 171.26 1cff n ASN 111 N -3.02 0.84 -0.17 0.00 2.85 -0.28 -3.89 115.26 111.59 1cff n ASN 111 Ca -0.10 0.37 0.21 0.00 -0.11 0.00 0.00 54.58 54.95 1cff n ASN 111 Cb 0.90 0.16 0.59 0.00 1.24 0.00 0.00 39.78 42.67 1cff n ASN 111 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1cff h LEU 112 N 0.00 0.24 0.00 1.20 3.38 -1.46 -3.43 115.31 115.24 1cff h LEU 112 Ca -0.19 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1cff h LEU 112 Cb 1.66 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1cff h LEU 112 CO 0.05 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1cff n GLY 113 N -1.58 0.21 0.00 0.83 0.00 -1.26 -5.10 105.19 98.29 1cff n GLY 113 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 2.13 -3.40 1.61 1.02 -1.24 -5.08 120.64 115.68 1cff n GLU 114 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1cff n GLU 114 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 1cff n GLU 114 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1cff s LYS 115 N 1.50 0.87 -0.51 3.49 2.20 -1.26 -4.41 119.74 121.63 1cff s LYS 115 Ca 0.00 -2.03 -0.21 0.00 -0.36 0.00 0.00 55.97 53.37 1cff s LYS 115 Cb 0.00 -1.41 0.05 0.00 -1.51 0.00 0.00 37.83 34.96 1cff s LYS 115 CO 0.00 -1.37 0.72 -0.51 -0.36 0.00 0.00 175.35 173.83 1cff s LEU 116 N 0.16 4.66 0.12 5.43 1.43 -1.26 -4.95 118.68 124.27 1cff s LEU 116 Ca 0.31 -0.69 -0.27 0.00 -1.03 0.00 0.00 54.13 52.45 1cff s LEU 116 Cb 0.01 -2.59 -0.08 0.00 0.03 0.00 0.00 46.19 43.57 1cff s LEU 116 CO -0.18 -0.98 1.46 0.71 0.23 0.00 0.00 176.35 177.59 1cff h THR 117 N 5.91 0.00 0.00 5.49 1.35 -1.98 -3.44 112.91 120.24 1cff h THR 117 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1cff h THR 117 Cb 1.09 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1cff h THR 117 CO 0.99 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.36 1cff n ASP 118 N -4.93 0.00 0.06 5.36 5.75 -1.26 -4.93 116.55 116.60 1cff n ASP 118 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.64 1cff n ASP 118 Cb 0.25 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.21 1cff n ASP 118 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1cff h GLU 119 N 0.00 0.17 0.04 0.11 4.39 -1.98 -2.29 114.58 115.02 1cff h GLU 119 Ca 0.00 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 1cff h GLU 119 Cb 0.00 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1cff h GLU 119 CO 0.00 1.04 -0.02 1.05 -1.16 0.00 0.00 179.01 179.92 1cff h GLU 120 N 0.05 -0.06 0.00 2.33 4.11 -1.93 -2.95 114.58 116.13 1cff h GLU 120 Ca -0.17 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.23 1cff h GLU 120 Cb 1.95 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.21 1cff h GLU 120 CO 0.15 0.59 -0.18 -0.24 0.07 0.00 0.00 179.01 179.40 1cff h VAL 121 N -0.82 1.01 0.34 -1.06 3.04 -1.91 -2.53 116.25 114.32 1cff h VAL 121 Ca -0.01 -0.62 -0.02 0.00 -1.01 0.00 0.00 66.70 65.04 1cff h VAL 121 Cb 0.67 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1cff h VAL 121 CO 0.01 0.17 -0.16 -0.78 -1.01 0.00 0.00 177.57 175.80 1cff h ASP 122 N 0.00 -0.38 -0.86 3.17 3.58 -1.44 -1.58 116.42 118.91 1cff h ASP 122 Ca -0.00 0.00 0.18 0.00 0.42 0.00 0.00 57.03 57.63 1cff h ASP 122 Cb 0.33 0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.42 1cff h ASP 122 CO 0.02 -0.26 0.57 -0.33 -2.88 0.00 0.00 179.24 176.36 1cff h GLU 123 N -0.47 0.45 -0.31 0.28 5.08 -1.28 0.62 114.58 118.94 1cff h GLU 123 Ca -0.05 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1cff h GLU 123 Cb 0.36 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1cff h GLU 123 CO 0.08 0.30 0.01 0.52 -1.00 0.00 0.00 179.01 178.91 1cff h MET 124 N 0.46 0.10 0.00 2.33 2.86 -0.96 0.85 114.93 120.57 1cff h MET 124 Ca 0.44 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 58.04 1cff h MET 124 Cb 1.00 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 1cff h MET 124 CO -0.17 0.07 -0.18 0.82 1.06 0.00 0.00 176.91 178.51 1cff h ILE 125 N 0.10 0.76 -0.09 -1.22 1.08 -0.49 1.33 117.51 118.99 1cff h ILE 125 Ca 0.15 -0.71 -0.22 0.00 -0.39 0.00 0.00 64.86 63.68 1cff h ILE 125 Cb 0.20 1.43 0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1cff h ILE 125 CO -0.24 0.17 -0.81 0.03 -0.69 0.00 0.00 178.15 176.61 1cff h ARG 126 N 0.00 0.70 0.03 2.37 -0.00 0.25 0.49 114.38 118.23 1cff h ARG 126 Ca -0.00 -0.64 -0.22 0.00 -0.50 0.00 0.00 59.98 58.62 1cff h ARG 126 Cb 0.42 0.15 -0.02 0.00 0.00 0.00 0.00 29.97 30.52 1cff h ARG 126 CO 0.02 1.24 -1.00 1.49 0.00 0.00 0.00 179.97 181.72 1cff h GLU 127 N 0.39 0.10 0.03 0.04 4.81 0.12 -3.24 114.58 116.83 1cff h GLU 127 Ca -0.08 -0.14 -0.22 0.00 -0.13 0.00 0.00 59.36 58.79 1cff h GLU 127 Cb 1.46 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.88 1cff h GLU 127 CO 0.16 1.01 -0.98 0.00 -0.73 0.00 0.00 179.01 178.47 1cff h ALA 128 N 0.93 0.38 -1.10 2.92 0.00 0.17 -3.44 119.26 119.13 1cff h ALA 128 Ca -0.04 -0.78 -0.56 0.00 0.00 0.00 0.00 54.91 53.53 1cff h ALA 128 Cb 1.72 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1cff h ALA 128 CO 0.14 0.95 1.57 -3.47 0.00 0.00 0.00 179.25 178.45 1cff n ASP 129 N -3.61 1.88 0.10 0.00 2.03 0.17 -4.83 116.55 112.30 1cff n ASP 129 Ca -0.05 0.03 -0.07 0.00 0.52 0.00 0.00 54.79 55.23 1cff n ASP 129 Cb 0.87 -1.32 -0.04 0.00 -0.72 0.00 0.00 41.12 39.91 1cff n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1cff h ILE 130 N 7.50 0.20 -0.70 5.18 5.03 -1.88 -3.25 117.51 129.58 1cff h ILE 130 Ca -0.22 -0.84 0.14 0.00 -0.12 0.00 0.00 64.86 63.83 1cff h ILE 130 Cb 1.30 0.34 -0.04 0.00 -3.03 0.00 0.00 36.82 35.39 1cff h ILE 130 CO 1.14 0.06 0.48 0.44 -0.68 0.00 0.00 178.15 179.58 1cff h ASP 131 N -1.06 0.33 -3.17 1.72 3.32 -1.91 -3.46 116.42 112.20 1cff h ASP 131 Ca -0.04 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 1cff h ASP 131 Cb 0.35 -0.05 0.05 0.00 0.22 0.00 0.00 39.33 39.91 1cff h ASP 131 CO 0.06 0.17 -0.24 0.61 -1.72 0.00 0.00 179.24 178.12 1cff n GLY 132 N -1.54 0.19 0.05 2.75 0.00 -1.23 -4.98 105.19 100.43 1cff n GLY 132 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.68 0.76 0.00 1.61 8.00 -1.26 -4.98 116.55 119.00 1cff n ASP 133 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1cff n ASP 133 Cb 0.55 1.39 0.00 0.00 -0.02 0.00 0.00 41.12 43.04 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 1.69 0.79 3.24 0.44 0.00 -1.26 -5.10 105.19 104.99 1cff n GLY 134 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1cff n GLY 134 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cff s GLN 135 N 0.00 0.59 -0.33 1.61 0.74 -1.26 -4.89 119.66 116.12 1cff s GLN 135 Ca 0.00 0.00 -0.23 0.00 0.05 0.00 0.00 55.36 55.19 1cff s GLN 135 Cb 0.00 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.38 1cff s GLN 135 CO 0.00 -0.14 0.75 0.54 -0.55 0.00 0.00 175.29 175.88 1cff s VAL 136 N -0.89 4.80 0.21 1.34 0.11 -1.25 -4.80 120.40 119.91 1cff s VAL 136 Ca -0.10 0.96 -0.12 0.00 -2.93 0.00 0.00 61.98 59.80 1cff s VAL 136 Cb -0.04 -4.14 -0.07 0.00 -1.53 0.00 0.00 36.38 30.59 1cff s VAL 136 CO 0.03 -0.31 0.56 0.21 -3.33 0.00 0.00 175.10 172.26 1cff s ASN 137 N 1.73 6.71 0.34 3.54 3.84 -1.26 -1.79 114.94 128.04 1cff s ASN 137 Ca 0.30 1.00 0.03 0.00 0.21 0.00 0.00 52.86 54.40 1cff s ASN 137 Cb -0.14 -2.26 0.60 0.00 -0.55 0.00 0.00 41.25 38.90 1cff s ASN 137 CO 0.14 -0.02 1.90 0.22 -2.79 0.00 0.00 177.10 176.56 1cff h TYR 138 N 2.89 0.63 -0.89 0.43 3.20 -1.97 0.90 116.97 122.16 1cff h TYR 138 Ca -0.48 -0.04 0.12 0.00 3.14 0.00 0.00 58.73 61.47 1cff h TYR 138 Cb 1.18 -0.19 -0.08 0.00 1.54 0.00 0.00 36.73 39.17 1cff h TYR 138 CO 0.63 0.54 0.51 1.05 -1.64 0.00 0.00 178.16 179.25 1cff h GLU 139 N 0.61 0.78 0.00 1.82 -0.00 -1.94 0.56 114.58 116.41 1cff h GLU 139 Ca 0.14 -0.05 -0.17 0.00 -0.00 0.00 0.00 59.36 59.28 1cff h GLU 139 Cb 0.23 -0.18 -0.03 0.00 -0.00 0.00 0.00 28.75 28.77 1cff h GLU 139 CO -0.00 0.52 -0.93 1.05 -0.00 0.00 0.00 179.01 179.64 1cff h GLU 140 N 0.81 0.00 0.38 1.06 4.11 -1.82 -2.82 114.58 116.30 1cff h GLU 140 Ca 0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.86 1cff h GLU 140 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1cff h GLU 140 CO -0.29 0.68 -0.18 0.35 0.07 0.00 0.00 179.01 179.64 1cff h PHE 141 N 0.00 -0.47 0.56 2.06 3.04 0.17 -1.47 116.94 120.82 1cff h PHE 141 Ca -0.05 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.86 1cff h PHE 141 Cb 1.63 0.16 0.01 0.00 2.56 0.00 0.00 35.95 40.30 1cff h PHE 141 CO 0.00 -0.20 -0.27 -0.39 -2.02 0.00 0.00 178.31 175.43 1cff h VAL 142 N -0.67 0.28 -1.01 1.41 -1.51 -0.12 -2.82 116.25 111.81 1cff h VAL 142 Ca -0.05 -0.38 0.29 0.00 -1.23 0.00 0.00 66.70 65.33 1cff h VAL 142 Cb 0.48 0.39 -0.04 0.00 -2.13 0.00 0.00 31.29 29.98 1cff h VAL 142 CO 0.09 0.04 0.73 0.06 -1.23 0.00 0.00 177.57 177.25 1cff h GLN 143 N -1.04 0.01 0.29 5.19 -0.00 -1.59 1.34 115.11 119.30 1cff h GLN 143 Ca -0.08 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 1cff h GLN 143 Cb 0.64 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.12 1cff h GLN 143 CO 0.13 0.01 -0.14 1.98 -0.00 0.00 0.00 178.83 180.81 1cff h MET 144 N 0.02 -0.37 0.00 0.06 4.05 -1.08 -2.26 114.93 115.35 1cff h MET 144 Ca 0.48 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.93 1cff h MET 144 Cb 1.91 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.80 1cff h MET 144 CO -0.01 -0.11 -0.23 -0.12 0.23 0.00 0.00 176.91 176.67 1cff n MET 145 N -5.17 0.20 0.03 0.39 1.56 0.11 -4.55 117.12 109.70 1cff n MET 145 Ca -0.10 0.37 -0.10 0.00 -0.27 0.00 0.00 57.70 57.60 1cff n MET 145 Cb 0.23 -1.17 -0.04 0.00 2.15 0.00 0.00 33.22 34.39 1cff n MET 145 CO 0.00 0.00 0.00 1.79 -0.73 0.00 0.00 175.97 177.03 1cff h THR 146 N -0.45 0.56 -3.47 1.12 1.35 0.14 -3.48 112.91 108.69 1cff h THR 146 Ca 0.00 0.00 0.38 0.00 -0.55 0.00 0.00 66.41 66.24 1cff h THR 146 Cb 0.23 0.56 -0.16 0.00 -1.73 0.00 0.00 68.15 67.05 1cff h THR 146 CO 0.00 0.00 -0.99 0.00 -0.25 0.00 0.00 175.52 174.28 1cff n ALA 147 N -2.56 -3.86 1.52 6.62 0.00 -0.50 -4.94 120.51 116.79 1cff n ALA 147 Ca -0.04 0.76 0.14 0.00 0.00 0.00 0.00 53.44 54.30 1cff n ALA 147 Cb 0.23 -1.50 0.54 0.00 0.00 0.00 0.00 19.45 18.72 1cff n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13