#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 0.00 -1.59 0.00 8.00 -1.26 -5.17 116.55 116.54 1cff n ASP 2 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1cff n ASP 2 Cb 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1cff n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cff n GLN 3 N -2.15 -4.35 -1.53 -1.24 6.02 -1.26 -5.00 117.38 107.88 1cff n GLN 3 Ca 0.00 3.31 0.00 0.00 -0.01 0.00 0.00 57.00 60.30 1cff n GLN 3 Cb 0.00 -3.95 0.00 0.00 1.02 0.00 0.00 30.24 27.31 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 -1.82 -2.02 -4.87 1.08 7.94 -1.26 -4.93 117.00 111.12 1cff n LEU 4 Ca 0.00 2.89 -0.35 0.00 -1.11 0.00 0.00 56.01 57.44 1cff n LEU 4 Cb 0.26 -2.88 -0.05 0.00 0.53 0.00 0.00 43.42 41.27 1cff n LEU 4 CO 0.00 0.07 0.07 0.42 -1.11 0.00 0.00 177.39 176.84 1cff s THR 5 N -3.98 5.11 -0.52 1.96 -4.23 -1.26 -4.99 115.64 107.73 1cff s THR 5 Ca 0.00 0.44 0.23 0.00 -1.18 0.00 0.00 61.69 61.19 1cff s THR 5 Cb 0.00 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 1cff s THR 5 CO 0.00 0.31 1.14 -0.62 -0.54 0.00 0.00 174.62 174.91 1cff n GLU 6 N 0.96 0.38 0.09 3.99 1.02 -1.26 -3.49 120.64 122.33 1cff n GLU 6 Ca -0.08 0.06 -0.04 0.00 -0.02 0.00 0.00 57.16 57.07 1cff n GLU 6 Cb 0.52 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 1cff n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1cff h GLU 7 N 0.00 -0.26 0.01 3.49 5.08 -1.99 -2.50 114.58 118.42 1cff h GLU 7 Ca 0.00 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1cff h GLU 7 Cb 0.81 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1cff h GLU 7 CO 0.00 -0.17 -0.01 -0.56 -1.00 0.00 0.00 179.01 177.27 1cff h GLN 8 N -0.50 -0.02 -0.65 2.33 3.07 -1.94 -3.13 115.11 114.27 1cff h GLN 8 Ca -0.03 0.00 0.14 0.00 0.09 0.00 0.00 58.65 58.85 1cff h GLN 8 Cb 0.21 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 27.66 1cff h GLN 8 CO 0.05 0.37 0.02 0.97 0.09 0.00 0.00 178.83 180.32 1cff h ILE 9 N -0.41 0.47 -0.97 1.86 2.10 -1.74 0.32 117.51 119.15 1cff h ILE 9 Ca -0.00 -0.04 0.31 0.00 1.08 0.00 0.00 64.86 66.20 1cff h ILE 9 Cb 0.39 0.33 -0.16 0.00 -1.09 0.00 0.00 36.82 36.30 1cff h ILE 9 CO 0.00 0.02 0.42 0.00 -1.08 0.00 0.00 178.15 177.52 1cff h ALA 10 N 1.59 1.74 -0.50 0.18 0.00 -1.39 1.62 119.26 122.49 1cff h ALA 10 Ca 0.34 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.52 1cff h ALA 10 Cb 0.57 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1cff h ALA 10 CO -0.55 -0.61 0.27 0.93 0.00 0.00 0.00 179.25 179.29 1cff h GLU 11 N 0.20 0.51 -0.36 0.00 4.39 -0.39 0.66 114.58 119.60 1cff h GLU 11 Ca 0.69 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 60.45 1cff h GLU 11 Cb 1.59 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 30.10 1cff h GLU 11 CO -0.68 0.34 0.25 0.35 -1.16 0.00 0.00 179.01 178.11 1cff h PHE 12 N 0.53 0.08 -0.50 4.33 3.57 0.25 0.37 116.94 125.57 1cff h PHE 12 Ca 0.22 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 1cff h PHE 12 Cb 0.10 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1cff h PHE 12 CO -0.09 0.04 -0.17 -0.22 -2.23 0.00 0.00 178.31 175.64 1cff h LYS 13 N 0.08 1.00 -0.22 1.11 3.64 0.21 0.28 116.57 122.66 1cff h LYS 13 Ca 0.17 -0.40 0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1cff h LYS 13 Cb 0.57 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1cff h LYS 13 CO -0.01 1.08 0.20 0.93 -2.27 0.00 0.00 179.45 179.38 1cff h GLU 14 N 0.87 0.00 0.01 1.90 5.08 0.26 1.12 114.58 123.82 1cff h GLU 14 Ca 0.12 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 1cff h GLU 14 Cb 0.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1cff h GLU 14 CO 0.06 0.00 -0.78 0.00 -1.00 0.00 0.00 179.01 177.29 1cff h ALA 15 N 1.81 0.16 -0.08 3.43 0.00 -0.99 -2.35 119.26 121.24 1cff h ALA 15 Ca 0.11 -0.93 0.02 0.00 0.00 0.00 0.00 54.91 54.11 1cff h ALA 15 Cb 0.50 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1cff h ALA 15 CO -0.00 0.44 0.31 0.35 0.00 0.00 0.00 179.25 180.34 1cff h PHE 16 N -0.96 0.00 0.02 0.00 3.04 0.10 3.00 116.94 122.14 1cff h PHE 16 Ca -0.21 0.00 -0.32 0.00 3.98 0.00 0.00 57.97 61.42 1cff h PHE 16 Cb 1.21 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.67 1cff h PHE 16 CO 0.17 0.00 -1.86 0.43 -2.02 0.00 0.00 178.31 175.03 1cff n SER 17 N -3.12 0.97 0.14 0.41 7.64 0.37 -3.11 113.62 116.92 1cff n SER 17 Ca -0.00 0.32 -0.25 0.00 1.01 0.00 0.00 58.87 59.95 1cff n SER 17 Cb 0.38 -0.05 -0.16 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.01 0.82 -2.01 -3.43 3.38 0.21 -3.18 115.31 111.11 1cff h LEU 18 Ca -0.35 -0.92 -0.00 0.00 0.09 0.00 0.00 57.88 56.70 1cff h LEU 18 Cb 2.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.53 1cff h LEU 18 CO 0.07 1.71 -0.01 0.15 0.09 0.00 0.00 178.44 180.45 1cff h PHE 19 N 0.12 0.00 -0.00 1.13 3.57 0.50 0.74 116.94 123.00 1cff h PHE 19 Ca -0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1cff h PHE 19 Cb 2.14 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.88 1cff h PHE 19 CO 0.13 0.01 0.00 0.22 -2.23 0.00 0.00 178.31 176.45 1cff h ASP 20 N 0.00 0.00 -6.51 0.41 1.82 -1.51 -3.45 116.42 107.18 1cff h ASP 20 Ca -0.00 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 56.14 1cff h ASP 20 Cb 0.02 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.01 1cff h ASP 20 CO 0.00 0.00 -0.92 1.17 -1.61 0.00 0.00 179.24 177.89 1cff n LYS 21 N -4.00 -2.37 0.00 0.28 4.81 0.25 -4.58 118.16 112.55 1cff n LYS 21 Ca -0.03 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 1cff n LYS 21 Cb 0.09 -4.19 0.00 0.00 0.02 0.00 0.00 35.03 30.94 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1cff n ASP 22 N -2.83 0.00 -0.95 3.14 5.68 -1.26 -4.98 116.55 115.34 1cff n ASP 22 Ca -0.24 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.05 1cff n ASP 22 Cb 0.65 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1cff n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 23 N 0.00 0.60 0.01 6.12 0.00 -1.26 -5.00 105.19 105.65 1cff n GLY 23 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.95 2.66 -0.16 1.61 2.03 -1.26 -5.01 116.55 115.47 1cff n ASP 24 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1cff n ASP 24 Cb 0.41 1.32 -0.01 0.00 -0.72 0.00 0.00 41.12 42.12 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 2.02 0.51 3.51 0.27 0.00 -1.26 -5.02 105.19 105.22 1cff n GLY 25 Ca -0.05 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.08 -0.01 -0.07 2.61 -4.23 -1.26 -4.74 115.64 105.86 1cff s THR 26 Ca 0.00 0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.37 1cff s THR 26 Cb 0.00 -0.85 -0.05 0.00 1.34 0.00 0.00 72.50 72.94 1cff s THR 26 CO 0.00 0.01 0.42 -0.63 -0.54 0.00 0.00 174.62 173.88 1cff s ILE 27 N 1.02 5.13 0.29 2.99 -1.09 -0.99 -4.85 121.20 123.71 1cff s ILE 27 Ca -0.06 0.85 -0.03 0.00 -2.23 0.00 0.00 60.65 59.18 1cff s ILE 27 Cb -0.05 -3.75 -0.01 0.00 -1.58 0.00 0.00 42.46 37.07 1cff s ILE 27 CO -0.10 0.44 0.38 -0.89 -1.23 0.00 0.00 174.94 173.54 1cff s THR 28 N -0.11 0.00 0.57 2.92 2.01 -1.26 0.48 115.64 120.25 1cff s THR 28 Ca 0.24 -1.69 0.30 0.00 0.31 0.00 0.00 61.69 60.84 1cff s THR 28 Cb -0.15 -2.50 0.42 0.00 0.01 0.00 0.00 72.50 70.27 1cff s THR 28 CO 0.11 0.00 1.87 0.71 -0.69 0.00 0.00 174.62 176.61 1cff h THR 29 N 2.25 0.41 0.34 -0.82 1.35 -1.94 0.50 112.91 114.99 1cff h THR 29 Ca -0.29 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.56 1cff h THR 29 Cb 1.24 0.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1cff h THR 29 CO 0.41 0.00 -0.23 0.50 -0.25 0.00 0.00 175.52 175.95 1cff h LYS 30 N 0.00 -0.52 0.02 4.72 1.63 -1.96 0.90 116.57 121.36 1cff h LYS 30 Ca 0.30 0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 60.02 1cff h LYS 30 Cb 1.44 0.12 0.01 0.00 -0.60 0.00 0.00 32.23 33.19 1cff h LYS 30 CO -0.00 -0.35 -0.45 1.05 -3.45 0.00 0.00 179.45 176.26 1cff h GLU 31 N -0.54 0.27 -0.85 1.90 9.09 -1.67 -2.55 114.58 120.23 1cff h GLU 31 Ca -0.05 -0.31 0.09 0.00 0.05 0.00 0.00 59.36 59.14 1cff h GLU 31 Cb 0.44 0.10 -0.07 0.00 -1.65 0.00 0.00 28.75 27.56 1cff h GLU 31 CO 0.03 1.04 0.50 1.25 0.05 0.00 0.00 179.01 181.88 1cff h LEU 32 N -0.37 0.74 -1.10 3.06 5.85 -0.11 0.36 115.31 123.74 1cff h LEU 32 Ca -0.06 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1cff h LEU 32 Cb 1.21 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1cff h LEU 32 CO 0.09 0.43 -0.19 1.23 -0.34 0.00 0.00 178.44 179.66 1cff h GLY 33 N 0.86 0.43 0.12 3.75 0.00 0.80 -1.17 103.07 107.86 1cff h GLY 33 Ca 0.40 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1cff h GLY 33 CO -0.23 0.29 -0.39 -0.84 0.00 0.00 0.00 176.54 175.37 1cff h THR 34 N 0.36 0.19 -0.42 4.70 2.02 -0.48 1.03 112.91 120.32 1cff h THR 34 Ca 0.06 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.10 1cff h THR 34 Cb 0.55 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1cff h THR 34 CO 0.04 0.00 -0.30 0.58 0.37 0.00 0.00 175.52 176.21 1cff h VAL 35 N -0.51 1.27 0.00 3.16 2.07 -1.44 0.68 116.25 121.49 1cff h VAL 35 Ca 0.07 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1cff h VAL 35 Cb 0.62 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1cff h VAL 35 CO -0.34 0.49 0.00 0.23 0.02 0.00 0.00 177.57 177.97 1cff n MET 36 N -4.11 0.08 -0.09 1.57 2.81 -0.45 0.12 117.12 117.05 1cff n MET 36 Ca -0.01 0.42 -0.11 0.00 -1.81 0.00 0.00 57.70 56.18 1cff n MET 36 Cb 0.50 -1.69 -0.11 0.00 -0.71 0.00 0.00 33.22 31.21 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 -1.86 0.96 0.04 0.03 0.63 0.35 0.18 116.66 116.99 1cff n ARG 37 Ca 0.02 0.06 0.12 0.00 -0.92 0.00 0.00 57.85 57.12 1cff n ARG 37 Cb 0.13 -1.40 0.11 0.00 0.45 0.00 0.00 32.46 31.76 1cff n ARG 37 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1cff n SER 38 N -2.84 0.64 0.06 6.15 7.64 0.19 -4.17 113.62 121.30 1cff n SER 38 Ca -0.31 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.50 1cff n SER 38 Cb 0.94 0.46 0.00 0.00 -1.01 0.00 0.00 64.21 64.60 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 -1.98 0.06 0.10 -3.43 7.99 0.32 -4.82 117.00 115.24 1cff n LEU 39 Ca 0.03 0.21 0.07 0.00 -0.01 0.00 0.00 56.01 56.31 1cff n LEU 39 Cb 0.43 0.12 0.37 0.00 -0.11 0.00 0.00 43.42 44.23 1cff n LEU 39 CO 0.38 -0.65 0.71 0.61 -1.51 0.00 0.00 177.39 176.93 1cff n GLY 40 N 1.98 -0.73 3.37 -0.72 0.00 0.64 -4.69 105.19 105.02 1cff n GLY 40 Ca 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.98 0.00 0.10 1.61 10.64 0.48 -3.90 117.38 124.34 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 0.02 -1.10 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 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 6.63 -1.78 -3.58 2.61 4.05 -1.26 -5.03 115.26 116.90 1cff n ASN 42 Ca 0.65 0.43 0.00 0.00 0.45 0.00 0.00 54.58 56.11 1cff n ASN 42 Cb 0.11 1.89 0.00 0.00 1.23 0.00 0.00 39.78 43.00 1cff n ASN 42 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1cff n PRO 43 N -2.90 1.24 -1.32 1.20 -0.02 -1.25 -5.01 135.00 126.94 1cff n PRO 43 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 1cff n PRO 43 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 33.50 33.63 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 0.00 2.24 0.09 3.45 -4.23 -1.26 -4.97 115.64 110.96 1cff s THR 44 Ca 0.00 0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 60.49 1cff s THR 44 Cb 0.00 -2.67 -0.23 0.00 1.34 0.00 0.00 72.50 70.94 1cff s THR 44 CO 0.00 -0.10 1.21 -0.08 -0.54 0.00 0.00 174.62 175.11 1cff h GLU 45 N -1.64 0.55 0.00 3.99 4.81 -2.01 -3.23 114.58 117.05 1cff h GLU 45 Ca -0.52 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.08 1cff h GLU 45 Cb 1.32 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.89 1cff h GLU 45 CO 0.59 1.25 0.00 0.00 -0.73 0.00 0.00 179.01 180.11 1cff h ALA 46 N 0.52 1.00 -1.21 2.92 0.00 -2.02 -3.34 119.26 117.13 1cff h ALA 46 Ca -0.12 0.00 0.42 0.00 0.00 0.00 0.00 54.91 55.20 1cff h ALA 46 Cb 1.72 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.37 1cff h ALA 46 CO 0.20 0.00 0.75 1.05 0.00 0.00 0.00 179.25 181.24 1cff h GLU 47 N 0.00 0.10 -0.99 0.00 9.09 -1.94 1.39 114.58 122.24 1cff h GLU 47 Ca 0.00 -0.01 0.06 0.00 0.05 0.00 0.00 59.36 59.46 1cff h GLU 47 Cb 0.89 -0.02 -0.06 0.00 -1.65 0.00 0.00 28.75 27.91 1cff h GLU 47 CO 0.00 0.07 0.64 1.37 0.05 0.00 0.00 179.01 181.14 1cff h LEU 48 N 0.10 1.04 -0.90 3.06 8.10 -1.80 1.55 115.31 126.45 1cff h LEU 48 Ca 0.81 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.72 1cff h LEU 48 Cb 2.37 -0.22 -0.02 0.00 -0.44 0.00 0.00 40.66 42.36 1cff h LEU 48 CO -0.52 0.68 -0.17 -0.61 -4.11 0.00 0.00 178.44 173.70 1cff h GLN 49 N 1.18 0.61 -0.08 0.17 5.75 0.16 0.42 115.11 123.32 1cff h GLN 49 Ca 0.42 -0.21 -0.16 0.00 -0.15 0.00 0.00 58.65 58.54 1cff h GLN 49 Cb 0.13 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1cff h GLN 49 CO -0.16 0.76 -0.66 0.22 -2.65 0.00 0.00 178.83 176.34 1cff h ASP 50 N 0.55 0.38 0.02 -0.69 3.58 -0.01 0.54 116.42 120.78 1cff h ASP 50 Ca 0.09 -0.23 -0.17 0.00 0.42 0.00 0.00 57.03 57.14 1cff h ASP 50 Cb 0.61 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 1cff h ASP 50 CO 0.04 0.93 -0.59 -0.03 -2.88 0.00 0.00 179.24 176.71 1cff h MET 51 N 0.23 0.58 0.01 0.28 4.05 0.27 -0.01 114.93 120.34 1cff h MET 51 Ca -0.02 -0.38 -0.20 0.00 -0.28 0.00 0.00 59.70 58.82 1cff h MET 51 Cb 1.20 0.05 0.02 0.00 -0.80 0.00 0.00 31.60 32.07 1cff h MET 51 CO 0.11 1.00 -0.80 0.82 0.23 0.00 0.00 176.91 178.27 1cff h ILE 52 N 0.43 1.37 0.00 1.77 1.08 -0.05 -3.12 117.51 119.00 1cff h ILE 52 Ca -0.00 -2.18 0.00 0.00 -0.39 0.00 0.00 64.86 62.29 1cff h ILE 52 Cb 1.15 2.55 0.00 0.00 -3.07 0.00 0.00 36.82 37.45 1cff h ILE 52 CO 0.11 0.65 0.00 0.59 -0.69 0.00 0.00 178.15 178.81 1cff n ASN 53 N -4.07 0.00 0.05 1.72 4.13 0.19 -2.99 115.26 114.29 1cff n ASN 53 Ca -0.11 0.34 -0.12 0.00 1.68 0.00 0.00 54.58 56.37 1cff n ASN 53 Cb 0.77 -0.43 -0.13 0.00 -1.54 0.00 0.00 39.78 38.44 1cff n ASN 53 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1cff h GLU 54 N 0.00 0.12 -0.68 3.52 4.39 -0.92 -3.31 114.58 117.70 1cff h GLU 54 Ca 0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1cff h GLU 54 Cb 0.30 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1cff h GLU 54 CO 0.00 0.97 0.00 1.55 -1.16 0.00 0.00 179.01 180.37 1cff n VAL 55 N -3.35 1.63 -1.45 3.13 3.14 -1.16 -4.68 118.33 115.59 1cff n VAL 55 Ca -0.10 -1.15 -0.35 0.00 -2.96 0.00 0.00 64.34 59.78 1cff n VAL 55 Cb 1.01 0.23 -0.04 0.00 -1.06 0.00 0.00 33.84 33.97 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1cff n ASP 56 N 1.27 8.04 -0.34 6.55 8.00 -1.19 -4.63 116.55 134.25 1cff n ASP 56 Ca 0.26 -2.74 0.11 0.00 0.71 0.00 0.00 54.79 53.13 1cff n ASP 56 Cb 0.83 -1.48 0.29 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 4.54 1.56 0.00 2.24 0.00 -1.90 0.26 119.26 125.97 1cff h ALA 57 Ca 0.72 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.71 1cff h ALA 57 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1cff h ALA 57 CO 1.47 -0.03 -1.78 -0.40 0.00 0.00 0.00 179.25 178.51 1cff n ASP 58 N -4.78 0.19 -4.00 0.00 5.75 -1.26 -5.01 116.55 107.44 1cff n ASP 58 Ca 0.21 -0.03 -0.40 0.00 -0.01 0.00 0.00 54.79 54.56 1cff n ASP 58 Cb 0.52 1.70 0.01 0.00 -1.03 0.00 0.00 41.12 42.32 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 1.27 -0.98 0.05 6.12 0.00 0.08 -4.87 105.19 106.86 1cff n GLY 59 Ca -0.03 0.42 0.06 0.00 0.00 0.00 0.00 46.02 46.47 1cff n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cff n ASN 60 N -2.26 0.25 0.00 1.61 6.94 -1.26 -4.99 115.26 115.55 1cff n ASN 60 Ca -0.18 0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 1cff n ASN 60 Cb 0.60 1.35 0.00 0.00 -2.36 0.00 0.00 39.78 39.37 1cff n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cff n GLY 61 N 1.34 -0.42 0.00 4.83 0.00 -1.26 -5.16 105.19 104.52 1cff n GLY 61 Ca -0.09 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.64 2.61 -2.24 -1.26 -5.07 114.28 105.68 1cff n THR 62 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1cff n THR 62 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.88 3.89 0.06 2.28 -1.09 0.18 -4.91 121.20 119.73 1cff s ILE 63 Ca 0.00 1.60 0.02 0.00 -2.23 0.00 0.00 60.65 60.04 1cff s ILE 63 Cb 0.00 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 1cff s ILE 63 CO 0.00 0.15 -0.07 1.51 -1.23 0.00 0.00 174.94 175.30 1cff s ASP 64 N -1.44 0.91 0.25 3.58 1.47 -1.26 -2.35 116.67 117.83 1cff s ASP 64 Ca 0.51 -0.71 -0.10 0.00 1.18 0.00 0.00 52.55 53.43 1cff s ASP 64 Cb -0.23 0.06 0.37 0.00 -0.34 0.00 0.00 42.92 42.79 1cff s ASP 64 CO 0.29 -0.31 1.45 0.33 0.68 0.00 0.00 175.17 177.61 1cff n PHE 65 N 0.94 0.25 0.25 2.11 7.35 -1.26 -0.49 117.46 126.61 1cff n PHE 65 Ca -0.19 1.14 -0.13 0.00 -0.76 0.00 0.00 57.45 57.51 1cff n PHE 65 Cb 0.57 -0.99 -0.07 0.00 0.35 0.00 0.00 39.48 39.35 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 -0.66 -1.01 -7.13 0.13 -1.97 0.14 132.00 121.50 1cff h PRO 66 Ca 0.41 0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.67 1cff h PRO 66 Cb 0.64 0.15 -0.07 0.00 0.13 0.00 0.00 31.00 31.85 1cff h PRO 66 CO -0.95 -0.37 0.65 1.05 -0.23 0.00 0.00 178.00 178.15 1cff h GLU 67 N -1.08 1.09 -0.01 0.86 4.11 -1.77 0.30 114.58 118.09 1cff h GLU 67 Ca -0.07 -0.07 -0.16 0.00 0.07 0.00 0.00 59.36 59.14 1cff h GLU 67 Cb 0.59 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1cff h GLU 67 CO 0.11 0.72 -0.73 0.35 0.07 0.00 0.00 179.01 179.54 1cff h PHE 68 N 1.13 0.08 0.37 2.06 3.57 -0.85 -2.83 116.94 120.47 1cff h PHE 68 Ca 0.45 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.90 1cff h PHE 68 Cb 0.27 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1cff h PHE 68 CO -0.00 0.76 -0.18 1.25 -2.23 0.00 0.00 178.31 177.91 1cff h LEU 69 N 0.04 -0.42 -0.05 0.59 5.85 0.89 -2.90 115.31 119.31 1cff h LEU 69 Ca -0.01 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1cff h LEU 69 Cb 1.29 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.37 1cff h LEU 69 CO 0.10 -0.11 -0.51 0.71 -0.34 0.00 0.00 178.44 178.29 1cff h THR 70 N -0.89 0.04 -0.69 1.05 1.35 -0.58 0.20 112.91 113.38 1cff h THR 70 Ca -0.05 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.93 1cff h THR 70 Cb 0.38 0.04 -0.13 0.00 -1.73 0.00 0.00 68.15 66.71 1cff h THR 70 CO 0.08 0.00 -0.31 0.24 -0.25 0.00 0.00 175.52 175.28 1cff h MET 71 N -0.62 -0.10 0.00 4.72 2.86 -1.64 1.50 114.93 121.65 1cff h MET 71 Ca 0.03 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1cff h MET 71 Cb 0.70 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1cff h MET 71 CO -0.38 -0.07 0.00 0.52 1.06 0.00 0.00 176.91 178.05 1cff h MET 72 N -0.10 0.00 0.00 1.72 2.07 -1.20 -3.24 114.93 114.17 1cff h MET 72 Ca 0.28 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.78 1cff h MET 72 Cb 0.56 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.27 1cff h MET 72 CO -0.75 0.00 -0.82 0.00 1.07 0.00 0.00 176.91 176.41 1cff h ALA 73 N 2.02 0.15 0.00 6.32 0.00 0.38 -3.40 119.26 124.72 1cff h ALA 73 Ca 0.00 -0.86 -0.41 0.00 0.00 0.00 0.00 54.91 53.64 1cff h ALA 73 Cb 0.44 0.54 0.02 0.00 0.00 0.00 0.00 17.79 18.80 1cff h ALA 73 CO 0.00 0.51 2.40 2.89 0.00 0.00 0.00 179.25 185.06 1cff n ARG 74 N -4.53 1.76 0.00 0.00 1.85 0.44 -4.35 116.66 111.84 1cff n ARG 74 Ca -0.21 -1.46 0.00 0.00 -1.00 0.00 0.00 57.85 55.18 1cff n ARG 74 Cb 0.50 -2.52 0.00 0.00 -1.05 0.00 0.00 32.46 29.39 1cff n ARG 74 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1cff n LYS 75 N 4.94 0.00 0.00 2.89 4.76 -1.26 -4.92 118.16 124.57 1cff n LYS 75 Ca 0.42 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 1cff n LYS 75 Cb 0.18 -0.23 0.00 0.00 -1.84 0.00 0.00 35.03 33.14 1cff n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cff n MET 76 N -2.00 0.00 -0.84 1.97 0.00 -1.26 -5.17 117.12 109.82 1cff n MET 76 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.70 57.81 1cff n MET 76 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 1cff n MET 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1cff n LYS 77 N 0.00 -1.62 0.00 3.17 4.76 -1.26 -4.66 118.16 118.55 1cff n LYS 77 Ca 0.00 1.10 0.00 0.00 -2.87 0.00 0.00 58.31 56.54 1cff n LYS 77 Cb 0.00 -2.01 0.00 0.00 -1.84 0.00 0.00 35.03 31.18 1cff n LYS 77 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1cff n ASP 78 N -4.35 0.00 -1.34 4.39 8.00 -1.26 -5.02 116.55 116.97 1cff n ASP 78 Ca -0.00 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1cff n ASP 78 Cb 0.59 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1cff n ASP 78 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1cff n THR 79 N -0.98 -0.89 -4.07 -3.53 -2.24 -1.26 -5.08 114.28 96.23 1cff n THR 79 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 1cff n THR 79 Cb 0.00 -2.69 -0.15 0.00 -2.10 0.00 0.00 70.33 65.39 1cff n THR 79 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1cff s ASP 80 N -2.89 3.66 0.00 3.42 -4.77 -1.26 -5.07 116.67 109.76 1cff s ASP 80 Ca 0.00 -0.80 0.00 0.00 -3.30 0.00 0.00 52.55 48.45 1cff s ASP 80 Cb 0.00 -1.54 0.00 0.00 -1.09 0.00 0.00 42.92 40.29 1cff s ASP 80 CO 0.00 -0.06 0.00 -1.54 0.70 0.00 0.00 175.17 174.27 1cff n SER 81 N 4.61 0.00 -3.17 2.11 3.41 -1.26 -5.09 113.62 114.23 1cff n SER 81 Ca -0.19 -0.45 -0.07 0.00 -0.26 0.00 0.00 58.87 57.90 1cff n SER 81 Cb 0.48 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.50 1cff n SER 81 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1cff n GLU 82 N 0.00 -1.03 0.00 4.33 4.07 -1.26 -5.01 120.64 121.74 1cff n GLU 82 Ca 0.00 -0.34 0.00 0.00 -0.06 0.00 0.00 57.16 56.76 1cff n GLU 82 Cb 0.00 -0.60 0.00 0.00 -0.06 0.00 0.00 31.44 30.78 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 -1.59 0.00 -0.02 5.31 1.02 -1.26 -4.89 120.64 119.22 1cff n GLU 83 Ca 0.03 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.19 1cff n GLU 83 Cb 0.14 -0.21 -0.08 0.00 -0.02 0.00 0.00 31.44 31.26 1cff n GLU 83 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1cff n GLU 84 N -1.88 1.11 -1.22 3.49 4.71 -1.26 -4.42 120.64 121.16 1cff n GLU 84 Ca 0.00 -0.06 -0.24 0.00 -0.01 0.00 0.00 57.16 56.85 1cff n GLU 84 Cb 0.00 -1.25 0.17 0.00 -1.01 0.00 0.00 31.44 29.35 1cff n GLU 84 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1cff n ILE 85 N -2.05 3.22 0.19 -3.67 2.08 -1.26 -4.51 119.36 113.36 1cff n ILE 85 Ca -0.07 -2.04 0.09 0.00 0.56 0.00 0.00 62.75 61.28 1cff n ILE 85 Cb 0.48 -0.52 0.45 0.00 -0.75 0.00 0.00 39.64 39.29 1cff n ILE 85 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1cff n ARG 86 N -1.13 0.12 -0.04 0.38 0.63 -1.26 -1.03 116.66 114.32 1cff n ARG 86 Ca 0.59 0.55 -0.08 0.00 -0.92 0.00 0.00 57.85 57.99 1cff n ARG 86 Cb 1.57 -1.83 -0.07 0.00 0.45 0.00 0.00 32.46 32.57 1cff n ARG 86 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1cff h GLU 87 N 0.00 -0.03 -0.09 -0.14 4.81 -1.95 -0.88 114.58 116.29 1cff h GLU 87 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1cff h GLU 87 Cb 0.08 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1cff h GLU 87 CO 0.00 0.49 -0.11 0.00 -0.73 0.00 0.00 179.01 178.65 1cff h ALA 88 N -0.45 1.65 -0.36 2.92 0.00 -1.83 1.08 119.26 122.26 1cff h ALA 88 Ca -0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1cff h ALA 88 Cb 0.53 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1cff h ALA 88 CO 0.01 0.26 -0.15 0.35 0.00 0.00 0.00 179.25 179.71 1cff h PHE 89 N 0.13 0.85 0.00 0.00 3.57 -1.14 -2.37 116.94 117.98 1cff h PHE 89 Ca 0.03 -0.21 -0.15 0.00 3.53 0.00 0.00 57.97 61.18 1cff h PHE 89 Cb 0.29 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1cff h PHE 89 CO 0.00 0.93 -0.81 0.00 -2.23 0.00 0.00 178.31 176.20 1cff h ARG 90 N 0.53 0.00 -0.13 1.11 3.08 -0.52 -2.38 114.38 116.07 1cff h ARG 90 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1cff h ARG 90 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1cff h ARG 90 CO 0.05 0.59 0.03 0.28 -1.07 0.00 0.00 179.97 179.85 1cff h VAL 91 N 0.00 1.07 0.00 2.04 2.07 0.13 -2.26 116.25 119.29 1cff h VAL 91 Ca -0.04 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1cff h VAL 91 Cb 1.53 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1cff h VAL 91 CO 0.08 0.08 -1.66 0.49 0.02 0.00 0.00 177.57 176.58 1cff n PHE 92 N -4.46 0.08 0.91 1.57 3.72 -0.90 -4.25 117.46 114.12 1cff n PHE 92 Ca -0.01 0.02 0.14 0.00 -0.05 0.00 0.00 57.45 57.55 1cff n PHE 92 Cb 0.12 -0.42 0.56 0.00 -0.94 0.00 0.00 39.48 38.80 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 -2.10 0.21 0.00 4.37 -0.08 -0.88 -4.66 116.55 113.41 1cff n ASP 93 Ca -0.02 0.49 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 1cff n ASP 93 Cb 0.51 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 43.43 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 -1.68 0.00 -0.18 -0.67 4.81 -1.05 0.14 118.16 119.54 1cff n LYS 94 Ca 0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.48 1cff n LYS 94 Cb 0.36 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.49 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 0.23 0.00 3.14 3.04 -1.90 -3.47 116.42 117.46 1cff h ASP 95 Ca 0.00 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.85 1cff h ASP 95 Cb 0.00 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 38.32 1cff h ASP 95 CO 0.00 0.15 0.00 0.61 -2.04 0.00 0.00 179.24 177.96 1cff n GLY 96 N -1.27 0.72 0.47 7.15 0.00 0.12 -5.03 105.19 107.35 1cff n GLY 96 Ca 0.06 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 1.54 0.00 1.61 5.03 -1.26 -5.06 115.26 117.13 1cff n ASN 97 Ca 0.00 0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.70 1cff n ASN 97 Cb 0.00 -0.57 0.00 0.00 -1.02 0.00 0.00 39.78 38.19 1cff n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cff n GLY 98 N 2.19 1.16 3.67 7.41 0.00 -1.26 -5.13 105.19 113.23 1cff n GLY 98 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 2.92 -0.71 1.61 2.02 -1.26 -3.51 117.35 118.42 1cff s TYR 99 Ca 0.00 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.63 1cff s TYR 99 Cb 0.00 -1.48 0.18 0.00 -0.40 0.00 0.00 41.96 40.25 1cff s TYR 99 CO 0.00 0.48 0.52 0.42 -1.57 0.00 0.00 175.55 175.40 1cff s ILE 100 N -1.41 3.47 0.05 2.71 1.01 -0.43 -4.89 121.20 121.71 1cff s ILE 100 Ca 0.26 -3.67 -0.21 0.00 0.00 0.00 0.00 60.65 57.02 1cff s ILE 100 Cb -0.11 -3.25 -0.13 0.00 0.01 0.00 0.00 42.46 38.99 1cff s ILE 100 CO 0.18 -0.96 1.47 -1.28 0.00 0.00 0.00 174.94 174.34 1cff h SER 101 N 6.17 0.27 0.00 3.58 0.87 -1.93 -3.37 113.55 119.14 1cff h SER 101 Ca 0.07 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1cff h SER 101 Cb 0.84 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1cff h SER 101 CO 0.75 0.54 0.00 0.00 -0.53 0.00 0.00 176.83 177.59 1cff n ALA 102 N -2.32 0.00 -0.35 6.23 0.00 -1.26 -4.87 120.51 117.93 1cff n ALA 102 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.44 1cff n ALA 102 Cb 0.23 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.82 1cff n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cff n ALA 103 N 0.00 0.23 -0.02 0.00 0.00 -1.26 0.16 120.51 119.62 1cff n ALA 103 Ca 0.00 1.07 -0.13 0.00 0.00 0.00 0.00 53.44 54.38 1cff n ALA 103 Cb 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 19.45 18.71 1cff n ALA 103 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1cff h GLU 104 N 0.00 0.05 -0.02 0.00 9.09 -1.90 -3.00 114.58 118.80 1cff h GLU 104 Ca 0.47 -0.03 0.03 0.00 0.05 0.00 0.00 59.36 59.88 1cff h GLU 104 Cb 0.71 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.76 1cff h GLU 104 CO -1.00 0.57 -0.44 -0.07 0.05 0.00 0.00 179.01 178.11 1cff h LEU 105 N -0.47 -1.35 -0.24 3.06 -0.00 -0.51 1.88 115.31 117.68 1cff h LEU 105 Ca 0.00 0.16 0.03 0.00 -0.00 0.00 0.00 57.88 58.08 1cff h LEU 105 Cb 0.56 0.53 -0.06 0.00 -0.00 0.00 0.00 40.66 41.69 1cff h LEU 105 CO 0.01 -0.47 -0.40 0.08 -0.00 0.00 0.00 178.44 177.66 1cff h ARG 106 N -0.58 -0.31 0.59 1.13 -0.00 0.15 1.21 114.38 116.57 1cff h ARG 106 Ca 0.05 0.02 -0.03 0.00 -0.00 0.00 0.00 59.98 60.02 1cff h ARG 106 Cb 0.66 0.07 0.01 0.00 -0.00 0.00 0.00 29.97 30.71 1cff h ARG 106 CO -0.34 -0.20 -0.28 1.25 -0.00 0.00 0.00 179.97 180.40 1cff h HIS 107 N -0.32 -0.73 -0.31 4.08 2.76 -1.36 -1.93 115.15 117.33 1cff h HIS 107 Ca 0.04 -0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.26 1cff h HIS 107 Cb 0.44 0.24 -0.07 0.00 1.55 0.00 0.00 27.41 29.58 1cff h HIS 107 CO -0.66 -0.43 -0.13 0.28 -1.30 0.00 0.00 177.93 175.69 1cff h VAL 108 N -1.18 0.58 0.00 5.26 2.07 0.30 -0.39 116.25 122.89 1cff h VAL 108 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1cff h VAL 108 Cb 0.62 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1cff h VAL 108 CO 0.13 0.00 -0.07 -0.03 0.02 0.00 0.00 177.57 177.62 1cff h MET 109 N -0.08 0.00 0.00 1.57 -1.53 0.15 0.65 114.93 115.69 1cff h MET 109 Ca 0.16 0.00 -0.11 0.00 -3.44 0.00 0.00 59.70 56.30 1cff h MET 109 Cb 0.31 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.35 1cff h MET 109 CO -0.36 0.07 -0.61 0.00 0.14 0.00 0.00 176.91 176.16 1cff h THR 110 N 0.00 0.86 0.01 -0.77 1.03 -0.53 -3.00 112.91 110.52 1cff h THR 110 Ca -0.00 -2.25 -0.30 0.00 -0.01 0.00 0.00 66.41 63.85 1cff h THR 110 Cb 0.70 2.40 -0.05 0.00 -1.07 0.00 0.00 68.15 70.14 1cff h THR 110 CO 0.01 0.49 -1.74 0.59 -0.01 0.00 0.00 175.52 174.86 1cff n ASN 111 N -3.20 1.00 -0.26 0.00 4.13 -0.23 -4.03 115.26 112.67 1cff n ASN 111 Ca 0.01 0.39 0.19 0.00 1.68 0.00 0.00 54.58 56.85 1cff n ASN 111 Cb 0.75 -0.14 0.49 0.00 -1.54 0.00 0.00 39.78 39.34 1cff n ASN 111 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1cff h LEU 112 N 0.01 0.45 0.00 3.41 3.38 0.28 -3.44 115.31 119.40 1cff h LEU 112 Ca -0.30 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1cff h LEU 112 Cb 2.02 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1cff h LEU 112 CO 0.08 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1cff n GLY 113 N -1.49 0.35 0.00 0.83 0.00 -1.24 -5.08 105.19 98.55 1cff n GLY 113 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.66 -3.12 1.61 -0.58 -1.13 -5.04 120.64 113.04 1cff n GLU 114 Ca 0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 1cff n GLU 114 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 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 -0.99 1.71 -2.28 3.49 4.81 -1.26 -4.20 118.16 119.45 1cff n LYS 115 Ca 0.00 -3.88 -0.40 0.00 -0.87 0.00 0.00 58.31 53.17 1cff n LYS 115 Cb 0.00 -1.86 -0.03 0.00 0.02 0.00 0.00 35.03 33.16 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 -2.68 3.25 0.31 3.14 1.43 -1.26 -4.86 118.68 118.01 1cff s LEU 116 Ca 0.42 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 1cff s LEU 116 Cb 0.31 -2.62 0.79 0.00 0.03 0.00 0.00 46.19 44.71 1cff s LEU 116 CO -0.10 -2.08 1.52 0.35 0.23 0.00 0.00 176.35 176.26 1cff n THR 117 N 6.85 -0.41 0.00 5.49 -2.24 -1.26 -4.67 114.28 118.05 1cff n THR 117 Ca 0.13 2.11 0.00 0.00 -2.27 0.00 0.00 64.05 64.02 1cff n THR 117 Cb 0.50 -3.11 0.00 0.00 -2.10 0.00 0.00 70.33 65.62 1cff n THR 117 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1cff n ASP 118 N -5.42 0.00 -0.03 3.42 -0.08 -1.26 -4.94 116.55 108.24 1cff n ASP 118 Ca 0.24 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.37 1cff n ASP 118 Cb 0.79 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 44.13 1cff n ASP 118 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1cff h GLU 119 N 0.00 0.10 -0.17 -0.67 5.08 -1.99 -1.69 114.58 115.24 1cff h GLU 119 Ca 0.00 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1cff h GLU 119 Cb 0.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1cff h GLU 119 CO 0.00 0.97 0.08 1.05 -1.00 0.00 0.00 179.01 180.11 1cff h GLU 120 N -0.70 0.25 0.00 2.33 4.11 -1.92 -2.15 114.58 116.49 1cff h GLU 120 Ca -0.03 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 1cff h GLU 120 Cb 1.06 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1cff h GLU 120 CO 0.04 0.29 -0.09 -0.24 0.07 0.00 0.00 179.01 179.08 1cff h VAL 121 N 0.15 0.29 -0.19 -1.06 3.04 -1.90 -2.34 116.25 114.24 1cff h VAL 121 Ca 0.06 -0.59 -0.01 0.00 -1.01 0.00 0.00 66.70 65.15 1cff h VAL 121 Cb 0.12 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 1cff h VAL 121 CO -0.01 0.09 0.10 -0.78 -1.01 0.00 0.00 177.57 175.95 1cff h ASP 122 N 0.00 0.24 -0.01 3.17 3.58 -0.63 0.12 116.42 122.89 1cff h ASP 122 Ca -0.00 -0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.26 1cff h ASP 122 Cb 0.45 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1cff h ASP 122 CO 0.01 0.27 -0.24 -0.33 -2.88 0.00 0.00 179.24 176.07 1cff h GLU 123 N 0.18 0.41 -0.74 0.28 5.08 -1.28 -0.91 114.58 117.59 1cff h GLU 123 Ca 0.06 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1cff h GLU 123 Cb 0.09 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1cff h GLU 123 CO -0.01 0.63 0.48 1.98 -1.00 0.00 0.00 179.01 181.09 1cff h MET 124 N 0.36 0.99 0.00 2.33 4.05 -0.85 0.17 114.93 121.98 1cff h MET 124 Ca 0.06 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 1cff h MET 124 Cb 0.63 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1cff h MET 124 CO 0.05 0.67 -0.08 0.82 0.23 0.00 0.00 176.91 178.59 1cff h ILE 125 N 1.01 0.18 -0.05 1.77 1.08 -0.33 0.67 117.51 121.84 1cff h ILE 125 Ca 0.27 -0.90 -0.25 0.00 -0.39 0.00 0.00 64.86 63.58 1cff h ILE 125 Cb -0.09 1.77 0.02 0.00 -3.07 0.00 0.00 36.82 35.45 1cff h ILE 125 CO -0.06 0.08 -0.95 0.03 -0.69 0.00 0.00 178.15 176.56 1cff h ARG 126 N 0.00 0.74 0.01 2.37 3.08 0.32 0.53 114.38 121.42 1cff h ARG 126 Ca -0.00 -0.72 -0.23 0.00 0.07 0.00 0.00 59.98 59.09 1cff h ARG 126 Cb 0.76 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 1cff h ARG 126 CO 0.01 1.31 -1.18 0.93 -1.07 0.00 0.00 179.97 179.97 1cff h GLU 127 N 0.44 0.03 -0.23 0.04 5.08 -0.57 -3.24 114.58 116.13 1cff h GLU 127 Ca -0.10 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 1cff h GLU 127 Cb 1.60 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 1cff h GLU 127 CO 0.19 0.93 -0.33 0.00 -1.00 0.00 0.00 179.01 178.79 1cff h ALA 128 N 0.95 1.00 -0.23 3.43 0.00 0.38 -3.40 119.26 121.39 1cff h ALA 128 Ca -0.08 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1cff h ALA 128 Cb 1.84 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1cff h ALA 128 CO 0.13 0.60 0.33 -3.47 0.00 0.00 0.00 179.25 176.83 1cff n ASP 129 N -4.07 1.10 0.00 0.00 2.03 0.17 -4.80 116.55 110.99 1cff n ASP 129 Ca -0.01 -1.55 0.00 0.00 0.52 0.00 0.00 54.79 53.75 1cff n ASP 129 Cb 0.46 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 1cff n ASP 129 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1cff n ILE 130 N 8.23 0.00 -0.33 5.18 -0.00 -1.26 -3.28 119.36 127.90 1cff n ILE 130 Ca 0.47 1.20 0.21 0.00 -0.00 0.00 0.00 62.75 64.63 1cff n ILE 130 Cb 0.40 -2.20 0.42 0.00 -0.00 0.00 0.00 39.64 38.27 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 0.43 -3.03 4.38 3.04 -1.95 -3.46 116.42 115.84 1cff h ASP 131 Ca 0.00 0.18 -0.00 0.00 -3.24 0.00 0.00 57.03 53.97 1cff h ASP 131 Cb 0.00 0.15 0.00 0.00 -1.04 0.00 0.00 39.33 38.44 1cff h ASP 131 CO 0.00 -0.11 -0.01 0.61 -2.04 0.00 0.00 179.24 177.69 1cff n GLY 132 N -1.31 0.83 0.08 7.15 0.00 -1.21 -5.00 105.19 105.73 1cff n GLY 132 Ca 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.49 0.32 0.00 1.61 9.92 -1.26 -4.96 116.55 120.68 1cff n ASP 133 Ca -0.00 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1cff n ASP 133 Cb 0.50 0.86 0.00 0.00 -0.64 0.00 0.00 41.12 41.84 1cff n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cff n GLY 134 N 1.54 0.96 0.00 0.44 0.00 -1.26 -5.10 105.19 101.78 1cff n GLY 134 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.21 -3.66 1.61 7.27 -1.26 -5.01 117.38 116.54 1cff n GLN 135 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 1cff n GLN 135 Cb 0.00 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.50 1cff n GLN 135 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1cff s VAL 136 N 1.23 0.42 -0.17 1.69 1.01 -1.26 -4.64 120.40 118.68 1cff s VAL 136 Ca 0.00 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 1cff s VAL 136 Cb 0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1cff s VAL 136 CO 0.00 -0.59 0.61 0.54 0.00 0.00 0.00 175.10 175.66 1cff s ASN 137 N 1.86 6.72 0.53 3.32 6.03 -1.26 -1.31 114.94 130.82 1cff s ASN 137 Ca 0.07 0.87 0.46 0.00 -1.03 0.00 0.00 52.86 53.24 1cff s ASN 137 Cb -0.17 -2.35 1.67 0.00 -3.03 0.00 0.00 41.25 37.37 1cff s ASN 137 CO -0.25 -0.21 1.54 0.00 -2.03 0.00 0.00 177.10 176.15 1cff n TYR 138 N 4.67 0.15 -0.32 1.54 9.36 -1.23 0.12 117.16 131.44 1cff n TYR 138 Ca -0.02 0.15 0.11 0.00 3.32 0.00 0.00 57.90 61.45 1cff n TYR 138 Cb 0.50 -0.63 0.28 0.00 -0.63 0.00 0.00 39.34 38.87 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 0.62 0.14 2.98 4.11 -1.91 0.83 114.58 121.36 1cff h GLU 139 Ca 0.92 -0.04 -0.31 0.00 0.07 0.00 0.00 59.36 60.01 1cff h GLU 139 Cb 3.55 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 32.67 1cff h GLU 139 CO -0.10 0.41 -1.47 1.05 0.07 0.00 0.00 179.01 178.96 1cff h GLU 140 N 0.64 0.30 -0.28 1.06 4.11 0.46 -2.59 114.58 118.28 1cff h GLU 140 Ca 0.53 -0.52 0.06 0.00 0.07 0.00 0.00 59.36 59.50 1cff h GLU 140 Cb 0.84 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 30.21 1cff h GLU 140 CO -0.40 1.20 -0.42 0.35 0.07 0.00 0.00 179.01 179.80 1cff h PHE 141 N 0.08 -1.23 -0.18 2.06 3.04 -0.65 0.72 116.94 120.77 1cff h PHE 141 Ca -0.23 0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.72 1cff h PHE 141 Cb 2.03 0.58 -0.00 0.00 2.56 0.00 0.00 35.95 41.11 1cff h PHE 141 CO 0.07 -0.46 -0.14 -0.39 -2.02 0.00 0.00 178.31 175.37 1cff h VAL 142 N -0.40 1.33 -0.61 1.41 -1.51 -1.06 -2.82 116.25 112.58 1cff h VAL 142 Ca 0.11 -1.27 0.18 0.00 -1.23 0.00 0.00 66.70 64.49 1cff h VAL 142 Cb 0.60 1.75 -0.02 0.00 -2.13 0.00 0.00 31.29 31.49 1cff h VAL 142 CO -0.49 0.38 0.44 1.56 -1.23 0.00 0.00 177.57 178.23 1cff h GLN 143 N 0.09 0.00 0.04 5.19 4.20 -0.98 1.50 115.11 125.14 1cff h GLN 143 Ca 0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1cff h GLN 143 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1cff h GLN 143 CO 0.04 0.00 -0.02 1.98 -0.67 0.00 0.00 178.83 180.16 1cff h MET 144 N 0.00 -0.05 0.00 1.46 4.05 0.66 -2.87 114.93 118.18 1cff h MET 144 Ca 0.29 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.70 1cff h MET 144 Cb 1.17 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.97 1cff h MET 144 CO -0.00 0.54 -0.42 1.98 0.23 0.00 0.00 176.91 179.24 1cff h MET 145 N -0.68 0.00 0.57 0.39 1.85 -1.08 -3.42 114.93 112.56 1cff h MET 145 Ca -0.01 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 1cff h MET 145 Cb 0.61 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.64 1cff h MET 145 CO 0.01 0.08 -0.27 1.79 -0.40 0.00 0.00 176.91 178.12 1cff h THR 146 N -1.00 0.00 -6.02 -0.77 1.35 0.17 -3.48 112.91 103.17 1cff h THR 146 Ca -0.02 -0.44 -0.41 0.00 -0.55 0.00 0.00 66.41 64.99 1cff h THR 146 Cb 0.44 0.00 0.07 0.00 -1.73 0.00 0.00 68.15 66.93 1cff h THR 146 CO -0.01 0.00 -0.80 0.00 -0.25 0.00 0.00 175.52 174.46 1cff n ALA 147 N -2.72 -1.86 -0.43 6.62 0.00 0.30 -4.95 120.51 117.47 1cff n ALA 147 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1cff n ALA 147 Cb 0.30 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.09 1cff n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13