#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 -8.37 -3.24 0.00 2.03 -1.26 -4.54 116.55 101.16 1cff n ASP 2 Ca 0.00 1.21 -0.22 0.00 0.52 0.00 0.00 54.79 56.29 1cff n ASP 2 Cb 0.00 -4.48 0.00 0.00 -0.72 0.00 0.00 41.12 35.92 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 1.07 -3.62 -1.64 -0.67 3.00 -1.26 -4.82 117.38 109.45 1cff n GLN 3 Ca 0.00 0.56 -0.52 0.00 -0.01 0.00 0.00 57.00 57.03 1cff n GLN 3 Cb 0.00 -5.29 -0.06 0.00 0.00 0.00 0.00 30.24 24.89 1cff n GLN 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1cff n LEU 4 N -3.73 2.15 -4.75 1.08 -0.00 -1.26 -4.87 117.00 105.62 1cff n LEU 4 Ca -0.04 1.09 -0.41 0.00 -0.00 0.00 0.00 56.01 56.65 1cff n LEU 4 Cb 0.56 -1.23 -0.03 0.00 -0.00 0.00 0.00 43.42 42.73 1cff n LEU 4 CO 0.48 -0.73 1.01 0.42 -0.00 0.00 0.00 177.39 178.57 1cff s THR 5 N 1.49 2.97 -0.66 1.96 -4.23 -1.26 -4.92 115.64 110.99 1cff s THR 5 Ca 0.87 0.84 0.23 0.00 -1.18 0.00 0.00 61.69 62.46 1cff s THR 5 Cb -0.92 -3.54 -0.07 0.00 1.34 0.00 0.00 72.50 69.31 1cff s THR 5 CO 0.50 0.15 1.13 1.21 -0.54 0.00 0.00 174.62 177.07 1cff n GLU 6 N 2.08 0.25 0.10 3.99 2.13 -1.26 -3.80 120.64 124.13 1cff n GLU 6 Ca 0.05 0.02 -0.04 0.00 0.66 0.00 0.00 57.16 57.84 1cff n GLU 6 Cb 0.42 -1.60 -0.02 0.00 0.27 0.00 0.00 31.44 30.50 1cff n GLU 6 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1cff h GLU 7 N 0.00 -0.28 -0.08 5.31 3.07 -1.99 -2.49 114.58 118.12 1cff h GLU 7 Ca 0.00 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.83 1cff h GLU 7 Cb 0.71 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1cff h GLU 7 CO 0.00 -0.19 -0.16 1.96 -1.40 0.00 0.00 179.01 179.23 1cff h GLN 8 N -0.51 0.25 -0.82 2.33 4.20 -2.01 -2.85 115.11 115.70 1cff h GLN 8 Ca -0.03 -0.16 0.24 0.00 0.06 0.00 0.00 58.65 58.76 1cff h GLN 8 Cb 0.22 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1cff h GLN 8 CO 0.05 0.75 0.59 0.97 -0.67 0.00 0.00 178.83 180.52 1cff h ILE 9 N -0.21 0.58 -0.65 2.54 -0.00 -1.74 0.17 117.51 118.19 1cff h ILE 9 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 64.86 65.00 1cff h ILE 9 Cb 0.74 0.59 -0.10 0.00 -0.00 0.00 0.00 36.82 38.04 1cff h ILE 9 CO 0.04 0.00 0.08 0.00 -0.00 0.00 0.00 178.15 178.26 1cff h ALA 10 N 1.58 0.73 -0.95 0.18 0.00 -1.19 1.60 119.26 121.21 1cff h ALA 10 Ca 0.39 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.54 1cff h ALA 10 Cb 1.58 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 19.57 1cff h ALA 10 CO -0.00 -0.36 0.61 0.93 0.00 0.00 0.00 179.25 180.42 1cff h GLU 11 N 0.19 1.06 -0.62 0.00 5.08 -0.77 1.68 114.58 121.19 1cff h GLU 11 Ca 0.35 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1cff h GLU 11 Cb 0.58 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1cff h GLU 11 CO -0.51 0.70 0.37 0.35 -1.00 0.00 0.00 179.01 178.93 1cff h PHE 12 N 1.09 0.80 -0.26 4.33 3.57 0.18 -0.81 116.94 125.84 1cff h PHE 12 Ca 0.42 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.76 1cff h PHE 12 Cb 0.20 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1cff h PHE 12 CO -0.01 0.53 -0.48 -0.22 -2.23 0.00 0.00 178.31 175.90 1cff h LYS 13 N 0.85 0.70 -1.01 1.11 3.64 0.86 -2.11 116.57 120.60 1cff h LYS 13 Ca 0.22 -0.40 0.25 0.00 -1.27 0.00 0.00 60.65 59.45 1cff h LYS 13 Cb -0.04 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 31.70 1cff h LYS 13 CO -0.04 1.02 0.62 0.93 -2.27 0.00 0.00 179.45 179.71 1cff h GLU 14 N 0.56 0.53 0.06 1.90 5.08 0.35 0.56 114.58 123.63 1cff h GLU 14 Ca 0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1cff h GLU 14 Cb 1.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1cff h GLU 14 CO 0.10 0.35 -0.03 0.00 -1.00 0.00 0.00 179.01 178.43 1cff h ALA 15 N 1.69 -0.08 -0.81 3.43 0.00 -1.34 -1.74 119.26 120.41 1cff h ALA 15 Ca 0.63 -0.30 0.24 0.00 0.00 0.00 0.00 54.91 55.47 1cff h ALA 15 Cb 1.27 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1cff h ALA 15 CO -0.42 -0.15 0.89 0.35 0.00 0.00 0.00 179.25 179.92 1cff h PHE 16 N -0.87 0.00 0.04 0.00 3.57 -0.11 2.92 116.94 122.49 1cff h PHE 16 Ca -0.01 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.16 1cff h PHE 16 Cb 0.63 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1cff h PHE 16 CO 0.15 0.00 -1.97 0.45 -2.23 0.00 0.00 178.31 174.71 1cff n SER 17 N -3.49 1.22 0.06 0.41 2.88 0.17 -4.08 113.62 110.79 1cff n SER 17 Ca 0.17 0.24 -0.23 0.00 -1.33 0.00 0.00 58.87 57.73 1cff n SER 17 Cb 1.15 -0.17 -0.15 0.00 -0.75 0.00 0.00 64.21 64.29 1cff n SER 17 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1cff h LEU 18 N 0.02 0.59 -1.91 2.46 -0.00 0.10 -3.22 115.31 113.35 1cff h LEU 18 Ca -0.39 -0.92 0.18 0.00 -0.00 0.00 0.00 57.88 56.74 1cff h LEU 18 Cb 2.05 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 42.49 1cff h LEU 18 CO 0.06 1.79 0.56 0.15 -0.00 0.00 0.00 178.44 181.00 1cff h PHE 19 N 0.10 0.00 0.02 1.13 3.04 0.47 1.25 116.94 122.96 1cff h PHE 19 Ca -0.35 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.35 1cff h PHE 19 Cb 2.09 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 40.57 1cff h PHE 19 CO 0.10 0.00 -1.27 0.22 -2.02 0.00 0.00 178.31 175.34 1cff h ASP 20 N 0.00 0.07 -6.45 0.41 1.82 -1.71 -3.44 116.42 107.12 1cff h ASP 20 Ca 0.29 -0.09 -0.49 0.00 -0.39 0.00 0.00 57.03 56.36 1cff h ASP 20 Cb 1.41 -0.02 0.03 0.00 0.68 0.00 0.00 39.33 41.43 1cff h ASP 20 CO -0.00 1.07 -0.94 1.17 -1.61 0.00 0.00 179.24 178.92 1cff n LYS 21 N -3.29 -1.53 0.00 0.28 0.00 0.43 -4.72 118.16 109.33 1cff n LYS 21 Ca -0.07 0.36 0.00 0.00 0.00 0.00 0.00 58.31 58.60 1cff n LYS 21 Cb 0.99 -3.90 0.00 0.00 0.00 0.00 0.00 35.03 32.11 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 -2.66 0.00 -0.39 3.14 5.68 -1.26 -5.06 116.55 116.00 1cff n ASP 22 Ca -0.16 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.13 1cff n ASP 22 Cb 0.61 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 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 -0.84 0.70 0.61 6.12 0.00 -1.26 -5.03 105.19 105.50 1cff n GLY 23 Ca 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 0.07 0.91 0.00 1.61 2.03 -1.26 -5.05 116.55 114.86 1cff n ASP 24 Ca 0.00 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1cff n ASP 24 Cb 0.25 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 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 2.23 1.29 3.00 0.27 0.00 -1.26 -5.12 105.19 105.61 1cff n GLY 25 Ca -0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 0.06 -0.35 2.61 -4.23 -1.26 -4.55 115.64 105.92 1cff s THR 26 Ca 0.00 -0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 59.90 1cff s THR 26 Cb 0.00 -0.25 0.03 0.00 1.34 0.00 0.00 72.50 73.62 1cff s THR 26 CO 0.00 -0.29 0.14 -0.63 -0.54 0.00 0.00 174.62 173.30 1cff s ILE 27 N -0.91 4.10 0.44 2.99 -1.09 -0.93 -4.88 121.20 120.91 1cff s ILE 27 Ca -0.10 -1.01 0.03 0.00 -2.23 0.00 0.00 60.65 57.34 1cff s ILE 27 Cb -0.06 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 1cff s ILE 27 CO 0.00 -0.19 0.05 -0.89 -1.23 0.00 0.00 174.94 172.68 1cff s THR 28 N 1.46 1.14 0.64 2.92 2.01 -1.26 -1.50 115.64 121.05 1cff s THR 28 Ca -0.00 -2.00 0.35 0.00 0.31 0.00 0.00 61.69 60.35 1cff s THR 28 Cb -0.19 -2.45 0.38 0.00 0.01 0.00 0.00 72.50 70.25 1cff s THR 28 CO 0.04 0.00 2.19 0.71 -0.69 0.00 0.00 174.62 176.87 1cff h THR 29 N 1.66 0.20 0.84 -0.82 1.35 -1.95 0.45 112.91 114.65 1cff h THR 29 Ca -0.41 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.41 1cff h THR 29 Cb 1.28 0.89 0.01 0.00 -1.73 0.00 0.00 68.15 68.59 1cff h THR 29 CO 0.69 0.00 -0.40 0.50 -0.25 0.00 0.00 175.52 176.06 1cff h LYS 30 N 0.00 -1.08 0.01 4.72 3.64 -1.97 1.24 116.57 123.13 1cff h LYS 30 Ca 0.02 0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1cff h LYS 30 Cb 0.27 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1cff h LYS 30 CO -0.00 -0.72 -0.01 0.93 -2.27 0.00 0.00 179.45 177.38 1cff h GLU 31 N -1.14 -0.02 -0.99 1.90 3.07 -1.71 -2.66 114.58 113.03 1cff h GLU 31 Ca -0.11 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 58.91 1cff h GLU 31 Cb 0.86 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.68 1cff h GLU 31 CO 0.19 0.64 0.62 1.25 -1.40 0.00 0.00 179.01 180.31 1cff h LEU 32 N -0.70 0.80 -0.93 1.33 5.85 -0.19 0.38 115.31 121.85 1cff h LEU 32 Ca -0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1cff h LEU 32 Cb 0.67 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1cff h LEU 32 CO 0.00 0.34 0.58 1.23 -0.34 0.00 0.00 178.44 180.25 1cff h GLY 33 N 0.81 1.33 0.64 3.75 0.00 0.16 0.38 103.07 110.14 1cff h GLY 33 Ca 0.54 -0.54 0.19 0.00 0.00 0.00 0.00 47.33 47.52 1cff h GLY 33 CO -0.32 0.52 0.49 -0.84 0.00 0.00 0.00 176.54 176.39 1cff h THR 34 N 1.27 0.69 -0.02 4.70 2.02 0.12 1.20 112.91 122.89 1cff h THR 34 Ca 0.34 -0.03 -0.15 0.00 0.77 0.00 0.00 66.41 67.34 1cff h THR 34 Cb -0.09 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1cff h THR 34 CO -0.07 0.02 -0.67 0.58 0.37 0.00 0.00 175.52 175.75 1cff h VAL 35 N 0.09 1.44 0.00 3.16 2.07 -0.58 1.39 116.25 123.82 1cff h VAL 35 Ca 0.33 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1cff h VAL 35 Cb 1.21 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1cff h VAL 35 CO -0.03 0.64 0.00 0.80 0.02 0.00 0.00 177.57 179.00 1cff n MET 36 N -3.79 0.15 -0.04 1.57 0.00 0.41 -1.85 117.12 113.57 1cff n MET 36 Ca -0.02 0.37 -0.07 0.00 0.00 0.00 0.00 57.70 57.99 1cff n MET 36 Cb 0.66 -1.78 -0.03 0.00 0.00 0.00 0.00 33.22 32.06 1cff n MET 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1cff n ARG 37 N -2.06 0.19 0.13 2.12 0.63 -0.74 -0.36 116.66 116.58 1cff n ARG 37 Ca 0.03 0.06 0.11 0.00 -0.92 0.00 0.00 57.85 57.12 1cff n ARG 37 Cb 0.22 -1.05 0.51 0.00 0.45 0.00 0.00 32.46 32.58 1cff n ARG 37 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1cff n SER 38 N -2.92 0.56 -0.00 6.15 2.88 0.47 -1.26 113.62 119.50 1cff n SER 38 Ca -0.15 0.70 0.04 0.00 -1.33 0.00 0.00 58.87 58.13 1cff n SER 38 Cb 0.64 -0.79 -0.06 0.00 -0.75 0.00 0.00 64.21 63.25 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 -2.19 0.14 -0.30 2.46 7.99 -0.77 -5.00 117.00 119.34 1cff n LEU 39 Ca 0.00 -0.19 -0.01 0.00 -0.01 0.00 0.00 56.01 55.80 1cff n LEU 39 Cb 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.44 1cff n LEU 39 CO 0.14 0.04 -0.01 0.61 -1.51 0.00 0.00 177.39 176.66 1cff n GLY 40 N 1.71 0.46 3.81 -0.72 0.00 -0.39 -5.02 105.19 105.04 1cff n GLY 40 Ca -0.00 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 1cff n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cff s GLN 41 N -4.34 4.29 -0.74 1.61 -1.52 0.52 -4.96 119.66 114.52 1cff s GLN 41 Ca 0.01 0.90 0.04 0.00 -1.95 0.00 0.00 55.36 54.35 1cff s GLN 41 Cb -0.00 -2.97 0.24 0.00 -0.22 0.00 0.00 33.01 30.05 1cff s GLN 41 CO 0.01 0.45 0.82 0.09 -0.25 0.00 0.00 175.29 176.41 1cff n ASN 42 N 0.95 4.09 -4.46 5.90 5.03 -1.26 -4.51 115.26 121.00 1cff n ASN 42 Ca -0.04 -3.38 -0.26 0.00 0.87 0.00 0.00 54.58 51.78 1cff n ASN 42 Cb 0.51 -0.81 0.14 0.00 -1.02 0.00 0.00 39.78 38.60 1cff n ASN 42 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1cff s PRO 43 N -2.26 1.25 0.20 3.52 0.04 -1.26 -5.09 135.00 131.40 1cff s PRO 43 Ca 0.35 -0.92 -0.06 0.00 0.04 0.00 0.00 61.00 60.42 1cff s PRO 43 Cb 0.08 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1cff s PRO 43 CO -0.03 -1.83 0.46 0.95 0.04 0.00 0.00 177.00 176.59 1cff s THR 44 N -3.42 5.08 0.38 1.26 -4.23 -1.26 -4.97 115.64 108.48 1cff s THR 44 Ca 0.70 0.10 0.14 0.00 -1.18 0.00 0.00 61.69 61.44 1cff s THR 44 Cb -0.04 -3.66 0.35 0.00 1.34 0.00 0.00 72.50 70.49 1cff s THR 44 CO 0.48 -0.09 1.83 -0.33 -0.54 0.00 0.00 174.62 175.97 1cff h GLU 45 N 2.42 0.52 0.00 3.99 5.08 -2.02 0.11 114.58 124.68 1cff h GLU 45 Ca -0.47 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 57.79 1cff h GLU 45 Cb 1.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1cff h GLU 45 CO 0.70 0.34 -0.79 0.00 -1.00 0.00 0.00 179.01 178.26 1cff h ALA 46 N 1.61 0.68 0.47 3.43 0.00 -1.99 -3.34 119.26 120.14 1cff h ALA 46 Ca 0.50 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1cff h ALA 46 Cb 1.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1cff h ALA 46 CO -0.24 0.42 -0.23 1.49 0.00 0.00 0.00 179.25 180.70 1cff h GLU 47 N 0.00 -0.61 -0.31 0.00 4.81 -1.15 0.57 114.58 117.89 1cff h GLU 47 Ca -0.05 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1cff h GLU 47 Cb 1.26 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1cff h GLU 47 CO 0.03 -0.41 0.42 1.37 -0.73 0.00 0.00 179.01 179.69 1cff h LEU 48 N -0.68 0.00 -0.13 1.64 -0.00 -1.70 1.74 115.31 116.18 1cff h LEU 48 Ca -0.07 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.58 1cff h LEU 48 Cb 0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1cff h LEU 48 CO 0.11 0.00 -1.00 -0.61 -0.00 0.00 0.00 178.44 176.94 1cff h GLN 49 N 0.00 0.32 0.01 0.17 5.75 -1.55 -0.88 115.11 118.94 1cff h GLN 49 Ca 0.14 -0.39 -0.23 0.00 -0.15 0.00 0.00 58.65 58.03 1cff h GLN 49 Cb 0.98 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1cff h GLN 49 CO -0.00 1.10 -0.96 0.22 -2.65 0.00 0.00 178.83 176.54 1cff h ASP 50 N 0.16 0.48 0.29 -0.69 3.58 0.74 0.54 116.42 121.53 1cff h ASP 50 Ca -0.08 -0.40 -0.06 0.00 0.42 0.00 0.00 57.03 56.91 1cff h ASP 50 Cb 1.66 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.55 1cff h ASP 50 CO 0.17 1.20 -0.29 -0.03 -2.88 0.00 0.00 179.24 177.41 1cff h MET 51 N 0.20 0.00 0.14 0.28 4.05 0.19 0.65 114.93 120.45 1cff h MET 51 Ca -0.08 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 59.00 1cff h MET 51 Cb 1.60 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.39 1cff h MET 51 CO 0.16 0.29 -1.80 0.82 0.23 0.00 0.00 176.91 176.61 1cff h ILE 52 N 0.00 0.81 -0.03 1.77 1.08 -1.00 -3.33 117.51 116.81 1cff h ILE 52 Ca -0.00 -2.41 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 1cff h ILE 52 Cb 0.52 2.62 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 1cff h ILE 52 CO 0.04 0.84 0.00 -3.20 -0.69 0.00 0.00 178.15 175.14 1cff n ASN 53 N -3.62 0.50 0.01 1.72 4.05 0.19 -3.46 115.26 114.65 1cff n ASN 53 Ca -0.28 -1.34 -0.01 0.00 0.45 0.00 0.00 54.58 53.40 1cff n ASN 53 Cb 1.03 -0.02 -0.01 0.00 1.23 0.00 0.00 39.78 42.01 1cff n ASN 53 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1cff h GLU 54 N 0.73 -0.09 0.00 1.20 5.08 0.20 -3.34 114.58 118.36 1cff h GLU 54 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1cff h GLU 54 Cb 0.16 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1cff h GLU 54 CO 0.00 -0.06 0.00 -0.24 -1.00 0.00 0.00 179.01 177.71 1cff h VAL 55 N -0.72 0.00 0.00 3.13 3.04 -1.74 -3.38 116.25 116.57 1cff h VAL 55 Ca -0.01 -0.48 -0.57 0.00 -1.01 0.00 0.00 66.70 64.63 1cff h VAL 55 Cb 0.07 1.43 0.08 0.00 -2.01 0.00 0.00 31.29 30.86 1cff h VAL 55 CO 0.02 0.00 1.89 0.47 -1.01 0.00 0.00 177.57 178.94 1cff n ASP 56 N -2.92 1.95 -0.05 3.17 8.00 -1.22 -4.60 116.55 120.88 1cff n ASP 56 Ca 0.01 -2.54 0.20 0.00 0.71 0.00 0.00 54.79 53.17 1cff n ASP 56 Cb 0.30 -0.84 0.65 0.00 -0.02 0.00 0.00 41.12 41.22 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 8.58 2.45 0.00 2.24 0.00 -1.87 0.31 119.26 130.98 1cff h ALA 57 Ca 0.34 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 1cff h ALA 57 Cb 0.60 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1cff h ALA 57 CO 1.90 -0.62 -1.75 -0.40 0.00 0.00 0.00 179.25 178.38 1cff n ASP 58 N -4.39 0.40 -4.13 0.00 5.68 -1.26 -5.00 116.55 107.84 1cff n ASP 58 Ca 0.11 0.17 -0.38 0.00 -0.50 0.00 0.00 54.79 54.19 1cff n ASP 58 Cb 0.62 0.98 -0.03 0.00 -1.14 0.00 0.00 41.12 41.55 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 1.39 -0.51 0.14 6.12 0.00 0.11 -4.84 105.19 107.60 1cff n GLY 59 Ca -0.11 0.27 0.03 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.20 0.00 0.00 1.61 -1.07 -1.94 -3.47 115.58 108.51 1cff h ASN 60 Ca -0.68 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.69 1cff h ASN 60 Cb 1.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.65 1cff h ASN 60 CO 0.60 0.51 0.00 0.61 0.07 0.00 0.00 177.43 179.22 1cff n GLY 61 N 1.12 0.94 0.55 9.14 0.00 -1.26 -5.15 105.19 110.53 1cff n GLY 61 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.40 2.61 -2.24 -1.26 -4.99 114.28 105.00 1cff n THR 62 Ca 0.00 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.17 1cff n THR 62 Cb 0.00 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.58 4.90 0.08 2.28 1.01 -0.56 -4.85 121.20 121.47 1cff s ILE 63 Ca 0.04 0.79 0.03 0.00 0.00 0.00 0.00 60.65 61.52 1cff s ILE 63 Cb -0.00 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1cff s ILE 63 CO 0.03 0.29 -0.10 1.51 0.00 0.00 0.00 174.94 176.67 1cff s ASP 64 N -1.65 1.30 0.23 3.58 1.47 -1.26 -2.19 116.67 118.16 1cff s ASP 64 Ca 0.36 -0.72 -0.12 0.00 1.18 0.00 0.00 52.55 53.25 1cff s ASP 64 Cb -0.15 0.01 0.31 0.00 -0.34 0.00 0.00 42.92 42.75 1cff s ASP 64 CO 0.19 -0.23 1.42 0.33 0.68 0.00 0.00 175.17 177.56 1cff n PHE 65 N 0.91 0.16 -0.11 2.11 7.35 -1.26 -0.47 117.46 126.15 1cff n PHE 65 Ca -0.19 1.12 -0.10 0.00 -0.76 0.00 0.00 57.45 57.53 1cff n PHE 65 Cb 0.56 -0.93 -0.02 0.00 0.35 0.00 0.00 39.48 39.45 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 0.50 0.02 -7.13 0.13 -1.98 0.80 132.00 124.34 1cff h PRO 66 Ca 0.37 -0.09 -0.21 0.00 -0.87 0.00 0.00 66.00 65.21 1cff h PRO 66 Cb 0.60 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1cff h PRO 66 CO -0.92 0.49 -0.95 1.05 -0.23 0.00 0.00 178.00 177.44 1cff h GLU 67 N 0.39 0.15 -0.01 0.86 4.11 -1.64 -2.53 114.58 115.92 1cff h GLU 67 Ca 0.11 -0.20 -0.21 0.00 0.07 0.00 0.00 59.36 59.14 1cff h GLU 67 Cb 0.17 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1cff h GLU 67 CO -0.01 0.99 -0.88 0.35 0.07 0.00 0.00 179.01 179.53 1cff h PHE 68 N 0.07 0.46 0.55 2.06 3.04 -0.78 -2.36 116.94 119.99 1cff h PHE 68 Ca -0.05 -0.24 -0.03 0.00 3.98 0.00 0.00 57.97 61.63 1cff h PHE 68 Cb 1.62 -0.06 0.01 0.00 2.56 0.00 0.00 35.95 40.08 1cff h PHE 68 CO 0.03 1.05 -0.27 1.25 -2.02 0.00 0.00 178.31 178.35 1cff h LEU 69 N 0.19 -0.63 -0.63 0.59 5.85 -0.85 -2.94 115.31 116.89 1cff h LEU 69 Ca -0.06 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.65 1cff h LEU 69 Cb 1.50 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.65 1cff h LEU 69 CO 0.14 -0.31 0.38 0.71 -0.34 0.00 0.00 178.44 179.02 1cff h THR 70 N -0.96 1.05 -0.60 1.05 1.35 -1.54 -1.08 112.91 112.18 1cff h THR 70 Ca -0.08 -0.25 0.12 0.00 -0.55 0.00 0.00 66.41 65.65 1cff h THR 70 Cb 0.64 0.25 -0.12 0.00 -1.73 0.00 0.00 68.15 67.19 1cff h THR 70 CO 0.12 0.13 -0.24 -0.03 -0.25 0.00 0.00 175.52 175.26 1cff h MET 71 N 0.73 -0.09 0.00 4.72 1.85 -1.41 0.70 114.93 121.44 1cff h MET 71 Ca 0.26 0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.30 1cff h MET 71 Cb 0.06 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 1cff h MET 71 CO -0.12 -0.06 -0.29 0.52 -0.40 0.00 0.00 176.91 176.56 1cff h MET 72 N -0.09 0.00 0.13 0.39 2.07 -1.30 -3.34 114.93 112.79 1cff h MET 72 Ca 0.27 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.89 1cff h MET 72 Cb 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 1cff h MET 72 CO -0.66 0.29 -0.06 0.00 1.07 0.00 0.00 176.91 177.55 1cff h ALA 73 N 1.71 -0.30 -1.66 6.32 0.00 0.86 -3.42 119.26 122.76 1cff h ALA 73 Ca -0.00 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 54.29 1cff h ALA 73 Cb 0.95 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 1cff h ALA 73 CO 0.04 -0.29 0.79 -0.98 0.00 0.00 0.00 179.25 178.81 1cff s ARG 74 N -2.10 3.39 0.00 0.00 1.70 0.21 -4.95 118.95 117.19 1cff s ARG 74 Ca -0.03 -0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.17 1cff s ARG 74 Cb 0.00 -4.06 0.00 0.00 -0.57 0.00 0.00 34.95 30.33 1cff s ARG 74 CO 0.08 -1.65 0.11 1.17 -1.08 0.00 0.00 175.30 173.93 1cff n LYS 75 N 8.08 0.00 0.00 3.89 4.81 -1.26 -4.73 118.16 128.96 1cff n LYS 75 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1cff n LYS 75 Cb 0.48 -0.48 0.00 0.00 0.02 0.00 0.00 35.03 35.06 1cff n LYS 75 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1cff n MET 76 N -0.22 0.00 0.00 1.64 0.00 -1.26 -5.09 117.12 112.19 1cff n MET 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1cff n MET 76 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1cff n MET 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1cff n LYS 77 N -2.17 0.00 -0.92 2.12 3.00 -1.26 -4.87 118.16 114.06 1cff n LYS 77 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1cff n LYS 77 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.05 1cff n LYS 77 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cff n ASP 78 N -3.01 0.22 -2.16 3.14 5.75 -1.26 -4.99 116.55 114.24 1cff n ASP 78 Ca 0.00 -1.19 -0.24 0.00 -0.01 0.00 0.00 54.79 53.34 1cff n ASP 78 Cb 0.00 -0.12 0.14 0.00 -1.03 0.00 0.00 41.12 40.12 1cff n ASP 78 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1cff n THR 79 N -1.69 3.14 -3.15 2.12 -2.24 -1.26 -4.78 114.28 106.43 1cff n THR 79 Ca 0.03 -1.99 0.04 0.00 -2.27 0.00 0.00 64.05 59.87 1cff n THR 79 Cb 0.10 -0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 67.66 1cff n THR 79 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cff s ASP 80 N -1.21 -1.12 -0.00 3.42 2.15 -1.26 -5.16 116.67 113.48 1cff s ASP 80 Ca 0.54 0.61 0.01 0.00 0.43 0.00 0.00 52.55 54.13 1cff s ASP 80 Cb 0.45 1.90 0.00 0.00 -0.30 0.00 0.00 42.92 44.97 1cff s ASP 80 CO 0.08 -0.21 -0.02 -0.44 -0.17 0.00 0.00 175.17 174.40 1cff s SER 81 N 2.89 0.29 -0.77 -0.34 0.01 -1.26 -5.07 113.70 109.45 1cff s SER 81 Ca 0.14 -0.04 -0.25 0.00 1.31 0.00 0.00 55.95 57.11 1cff s SER 81 Cb -0.13 -0.04 -0.17 0.00 0.21 0.00 0.00 66.02 65.89 1cff s SER 81 CO -0.19 0.02 2.45 1.21 0.41 0.00 0.00 173.24 177.14 1cff n GLU 82 N 3.10 0.50 -0.12 12.44 2.13 -1.26 -4.71 120.64 132.72 1cff n GLU 82 Ca -0.13 -0.19 -0.25 0.00 0.66 0.00 0.00 57.16 57.25 1cff n GLU 82 Cb 0.59 -2.60 -0.11 0.00 0.27 0.00 0.00 31.44 29.58 1cff n GLU 82 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1cff n GLU 83 N 8.28 0.59 -4.41 5.31 0.28 -1.26 -4.70 120.64 124.73 1cff n GLU 83 Ca 0.52 0.40 -0.30 0.00 -0.16 0.00 0.00 57.16 57.61 1cff n GLU 83 Cb 0.32 -1.62 -0.11 0.00 1.43 0.00 0.00 31.44 31.46 1cff n GLU 83 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1cff s GLU 84 N -2.45 2.01 0.00 3.44 2.12 -1.26 -4.45 118.70 118.11 1cff s GLU 84 Ca -0.33 -1.05 0.00 0.00 0.36 0.00 0.00 54.97 53.95 1cff s GLU 84 Cb 0.10 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.28 1cff s GLU 84 CO 0.56 0.51 0.00 -0.89 -0.54 0.00 0.00 175.26 174.90 1cff n ILE 85 N 1.07 0.00 0.26 -3.70 5.41 -1.26 -4.85 119.36 116.29 1cff n ILE 85 Ca -0.15 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.74 1cff n ILE 85 Cb 0.52 -0.27 0.62 0.00 -0.71 0.00 0.00 39.64 39.81 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 1.04 0.00 0.01 0.38 2.43 -1.84 0.13 114.38 116.53 1cff h ARG 86 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1cff h ARG 86 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1cff h ARG 86 CO 0.00 0.11 -0.00 1.05 -1.51 0.00 0.00 179.97 179.61 1cff h GLU 87 N 0.00 -0.01 0.00 0.20 -0.00 -1.91 -1.96 114.58 110.89 1cff h GLU 87 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1cff h GLU 87 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.32 1cff h GLU 87 CO 0.01 0.81 -0.06 0.00 -0.00 0.00 0.00 179.01 179.78 1cff h ALA 88 N -0.02 1.45 -0.30 1.06 0.00 -1.94 0.77 119.26 120.28 1cff h ALA 88 Ca -0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1cff h ALA 88 Cb 0.83 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1cff h ALA 88 CO 0.00 0.07 -0.51 0.35 0.00 0.00 0.00 179.25 179.16 1cff h PHE 89 N 0.00 1.06 0.00 0.00 3.57 -0.93 -1.72 116.94 118.93 1cff h PHE 89 Ca -0.00 -0.36 -0.14 0.00 3.53 0.00 0.00 57.97 60.99 1cff h PHE 89 Cb 0.15 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1cff h PHE 89 CO 0.00 1.18 -1.07 -0.09 -2.23 0.00 0.00 178.31 176.10 1cff h ARG 90 N 0.67 0.00 -0.15 1.11 1.12 -0.46 -2.23 114.38 114.44 1cff h ARG 90 Ca 0.02 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.83 1cff h ARG 90 Cb 1.11 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.06 1cff h ARG 90 CO 0.11 0.38 -0.20 0.28 -3.11 0.00 0.00 179.97 177.44 1cff h VAL 91 N 0.00 1.21 0.00 0.20 2.07 0.59 -2.83 116.25 117.49 1cff h VAL 91 Ca -0.10 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1cff h VAL 91 Cb 1.51 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1cff h VAL 91 CO 0.06 0.30 -1.54 0.33 0.02 0.00 0.00 177.57 176.73 1cff n PHE 92 N -4.21 0.24 0.31 1.57 -0.00 -0.65 -4.22 117.46 110.49 1cff n PHE 92 Ca -0.01 0.07 0.07 0.00 -0.00 0.00 0.00 57.45 57.58 1cff n PHE 92 Cb 0.32 -0.53 0.31 0.00 -0.00 0.00 0.00 39.48 39.58 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 -2.22 0.22 0.00 -2.13 -0.08 -0.84 -4.62 116.55 106.88 1cff n ASP 93 Ca -0.01 0.57 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 1cff n ASP 93 Cb 0.52 -0.61 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 -1.76 0.00 -0.30 -0.67 3.00 -1.24 0.11 118.16 117.30 1cff n LYS 94 Ca 0.02 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.41 1cff n LYS 94 Cb 0.12 0.00 0.31 0.00 0.00 0.00 0.00 35.03 35.46 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 0.79 0.00 3.14 3.04 -1.94 -3.47 116.42 117.99 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 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.16 1cff h ASP 95 CO 0.00 0.44 0.00 0.61 -2.04 0.00 0.00 179.24 178.25 1cff n GLY 96 N -1.40 0.84 0.74 7.15 0.00 0.30 -5.08 105.19 107.74 1cff n GLY 96 Ca 0.17 -0.81 -0.07 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 0.93 0.00 1.61 5.03 -1.25 -5.05 115.26 116.53 1cff n ASN 97 Ca 0.00 0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.60 1cff n ASN 97 Cb 0.00 -0.34 0.00 0.00 -1.02 0.00 0.00 39.78 38.42 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 2.62 1.25 3.56 7.41 0.00 -1.26 -5.12 105.19 113.66 1cff n GLY 98 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.30 2.67 -0.71 1.61 2.02 -1.26 -4.37 117.35 117.01 1cff s TYR 99 Ca 0.00 -0.20 -0.03 0.00 -0.37 0.00 0.00 57.07 56.48 1cff s TYR 99 Cb 0.00 -1.37 0.18 0.00 -0.40 0.00 0.00 41.96 40.37 1cff s TYR 99 CO 0.00 0.45 0.55 0.42 -1.57 0.00 0.00 175.55 175.40 1cff s ILE 100 N -1.38 3.91 0.05 2.71 1.01 -0.97 -4.92 121.20 121.62 1cff s ILE 100 Ca 0.22 -3.26 -0.25 0.00 0.00 0.00 0.00 60.65 57.36 1cff s ILE 100 Cb -0.10 -3.51 -0.17 0.00 0.01 0.00 0.00 42.46 38.69 1cff s ILE 100 CO 0.14 -0.95 1.53 -1.28 0.00 0.00 0.00 174.94 174.38 1cff h SER 101 N 6.69 -0.19 0.00 3.58 0.87 -1.92 -3.32 113.55 119.26 1cff h SER 101 Ca 0.04 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1cff h SER 101 Cb 0.91 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1cff h SER 101 CO 0.75 0.01 0.00 0.00 -0.53 0.00 0.00 176.83 177.06 1cff n ALA 102 N -2.28 0.00 -0.13 6.23 0.00 -1.26 -4.80 120.51 118.27 1cff n ALA 102 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 1cff n ALA 102 Cb 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.17 0.00 0.00 -1.94 0.54 119.26 117.36 1cff h ALA 103 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1cff h ALA 103 Cb 0.00 1.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1cff h ALA 103 CO 0.00 -0.48 -0.01 1.05 0.00 0.00 0.00 179.25 179.80 1cff h GLU 104 N -0.06 0.04 -1.07 0.00 9.09 -1.92 -1.31 114.58 119.33 1cff h GLU 104 Ca 0.05 -0.00 0.29 0.00 0.05 0.00 0.00 59.36 59.75 1cff h GLU 104 Cb 0.20 -0.01 -0.09 0.00 -1.65 0.00 0.00 28.75 27.20 1cff h GLU 104 CO -0.34 0.02 0.70 -0.07 0.05 0.00 0.00 179.01 179.38 1cff h LEU 105 N 0.04 0.37 0.21 3.06 -0.00 -1.49 1.53 115.31 119.04 1cff h LEU 105 Ca 0.08 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 1cff h LEU 105 Cb 0.11 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1cff h LEU 105 CO -0.15 0.06 -0.10 -0.09 -0.00 0.00 0.00 178.44 178.15 1cff h ARG 106 N 0.32 -0.28 0.12 1.13 9.65 0.12 -2.34 114.38 123.09 1cff h ARG 106 Ca 0.60 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.50 1cff h ARG 106 Cb 1.67 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.31 1cff h ARG 106 CO -0.27 -0.18 -0.06 1.25 2.80 0.00 0.00 179.97 183.51 1cff h HIS 107 N -0.48 -0.14 -0.57 2.20 2.76 -0.96 -1.38 115.15 116.57 1cff h HIS 107 Ca -0.03 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.21 1cff h HIS 107 Cb 0.22 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.17 1cff h HIS 107 CO 0.07 0.34 0.24 0.28 -1.30 0.00 0.00 177.93 177.56 1cff h VAL 108 N -0.75 0.83 0.00 5.26 2.07 0.20 0.16 116.25 124.01 1cff h VAL 108 Ca -0.02 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1cff h VAL 108 Cb 0.55 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1cff h VAL 108 CO 0.03 0.08 -0.39 0.80 0.02 0.00 0.00 177.57 178.11 1cff n MET 109 N -4.96 0.28 0.07 1.57 0.00 -0.88 -2.26 117.12 110.94 1cff n MET 109 Ca 0.07 0.14 0.07 0.00 0.00 0.00 0.00 57.70 57.98 1cff n MET 109 Cb 0.23 -1.73 -0.04 0.00 0.00 0.00 0.00 33.22 31.67 1cff n MET 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1cff n THR 110 N -2.17 0.78 0.00 1.12 -1.04 -0.52 -2.77 114.28 109.67 1cff n THR 110 Ca 0.04 -0.60 -0.21 0.00 -2.04 0.00 0.00 64.05 61.24 1cff n THR 110 Cb 0.44 -0.45 -0.14 0.00 -1.82 0.00 0.00 70.33 68.36 1cff n THR 110 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1cff n ASN 111 N -2.72 2.10 -0.35 8.00 2.85 0.50 -4.18 115.26 121.45 1cff n ASN 111 Ca -0.04 0.21 0.12 0.00 -0.11 0.00 0.00 54.58 54.76 1cff n ASN 111 Cb 0.66 -0.84 0.31 0.00 1.24 0.00 0.00 39.78 41.15 1cff n ASN 111 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1cff h LEU 112 N 0.07 0.80 0.00 1.20 5.85 -1.62 -3.45 115.31 118.17 1cff h LEU 112 Ca -0.42 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1cff h LEU 112 Cb 2.03 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 43.01 1cff h LEU 112 CO 0.09 0.30 0.00 0.61 -0.34 0.00 0.00 178.44 179.10 1cff n GLY 113 N -1.33 0.44 1.20 3.75 0.00 -1.26 -5.12 105.19 102.87 1cff n GLY 113 Ca 0.23 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.94 -2.76 1.61 -0.58 -1.12 -4.98 120.64 110.87 1cff n GLU 114 Ca 0.00 -0.59 -0.10 0.00 -0.42 0.00 0.00 57.16 56.04 1cff n GLU 114 Cb 0.00 -0.58 0.03 0.00 -0.57 0.00 0.00 31.44 30.32 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 -2.77 1.11 -2.74 3.49 4.81 -1.26 -4.20 118.16 116.60 1cff n LYS 115 Ca 0.05 -3.09 -0.42 0.00 -0.87 0.00 0.00 58.31 53.98 1cff n LYS 115 Cb 0.21 -1.19 -0.03 0.00 0.02 0.00 0.00 35.03 34.03 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 -2.99 4.02 1.01 3.14 1.43 -1.26 -5.00 118.68 119.03 1cff s LEU 116 Ca 0.29 -1.04 -0.13 0.00 -1.03 0.00 0.00 54.13 52.22 1cff s LEU 116 Cb 0.43 -2.48 0.12 0.00 0.03 0.00 0.00 46.19 44.30 1cff s LEU 116 CO 0.00 -1.51 0.66 0.35 0.23 0.00 0.00 176.35 176.08 1cff n THR 117 N 6.12 0.00 0.25 5.49 -2.24 -1.26 -4.29 114.28 118.34 1cff n THR 117 Ca 0.06 -0.19 0.18 0.00 -2.27 0.00 0.00 64.05 61.83 1cff n THR 117 Cb 0.48 -0.79 0.89 0.00 -2.10 0.00 0.00 70.33 68.80 1cff n THR 117 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1cff h ASP 118 N -1.93 0.00 0.04 3.42 3.58 -1.91 0.77 116.42 120.38 1cff h ASP 118 Ca -0.48 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.97 1cff h ASP 118 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 1cff h ASP 118 CO 0.39 0.00 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.40 1cff h GLU 119 N 0.00 -0.05 -0.32 0.28 4.39 -1.98 -2.80 114.58 114.10 1cff h GLU 119 Ca 0.06 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 1cff h GLU 119 Cb 0.42 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1cff h GLU 119 CO -0.00 -0.04 -0.07 1.05 -1.16 0.00 0.00 179.01 178.79 1cff h GLU 120 N -0.63 0.52 -0.19 2.33 4.11 -1.84 -2.85 114.58 116.04 1cff h GLU 120 Ca -0.01 -0.14 -0.19 0.00 0.07 0.00 0.00 59.36 59.10 1cff h GLU 120 Cb 0.04 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1cff h GLU 120 CO 0.01 0.61 -0.63 -0.24 0.07 0.00 0.00 179.01 178.82 1cff h VAL 121 N 0.49 1.31 -0.47 -1.06 3.04 0.38 -2.72 116.25 117.22 1cff h VAL 121 Ca 0.10 -1.88 -0.02 0.00 -1.01 0.00 0.00 66.70 63.89 1cff h VAL 121 Cb 0.43 1.84 -0.02 0.00 -2.01 0.00 0.00 31.29 31.53 1cff h VAL 121 CO 0.02 0.59 0.22 -2.24 -1.01 0.00 0.00 177.57 175.15 1cff h ASP 122 N 0.50 0.63 -0.72 3.17 3.04 -1.37 -1.76 116.42 119.92 1cff h ASP 122 Ca -0.01 -0.14 0.07 0.00 -3.24 0.00 0.00 57.03 53.71 1cff h ASP 122 Cb 1.22 -0.16 -0.04 0.00 -1.04 0.00 0.00 39.33 39.31 1cff h ASP 122 CO 0.13 0.59 0.47 -0.33 -2.04 0.00 0.00 179.24 178.06 1cff h GLU 123 N 0.62 0.71 -0.82 4.15 5.08 -1.49 0.51 114.58 123.34 1cff h GLU 123 Ca 0.16 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1cff h GLU 123 Cb 0.14 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1cff h GLU 123 CO -0.02 0.47 0.51 1.98 -1.00 0.00 0.00 179.01 180.95 1cff h MET 124 N 0.73 0.94 0.00 2.33 4.05 -1.00 0.74 114.93 122.72 1cff h MET 124 Ca 0.31 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.59 1cff h MET 124 Cb 0.28 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 1cff h MET 124 CO -0.10 0.62 -0.41 0.82 0.23 0.00 0.00 176.91 178.06 1cff h ILE 125 N 0.97 1.05 -0.51 1.77 1.08 -0.60 0.37 117.51 121.63 1cff h ILE 125 Ca 0.34 -1.56 -0.07 0.00 -0.39 0.00 0.00 64.86 63.18 1cff h ILE 125 Cb 0.08 1.91 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 1cff h ILE 125 CO -0.14 0.41 0.05 0.03 -0.69 0.00 0.00 178.15 177.81 1cff h ARG 126 N 0.00 0.86 0.03 2.37 -0.00 0.85 1.28 114.38 119.78 1cff h ARG 126 Ca -0.00 -0.25 -0.23 0.00 -0.50 0.00 0.00 59.98 59.00 1cff h ARG 126 Cb 0.87 -0.09 -0.00 0.00 0.00 0.00 0.00 29.97 30.75 1cff h ARG 126 CO 0.05 0.87 -1.00 0.93 0.00 0.00 0.00 179.97 180.82 1cff h GLU 127 N 0.73 0.32 -0.24 0.04 5.08 -0.93 -3.20 114.58 116.38 1cff h GLU 127 Ca 0.15 -0.38 -0.15 0.00 -1.00 0.00 0.00 59.36 57.98 1cff h GLU 127 Cb 0.45 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1cff h GLU 127 CO 0.02 1.09 -0.45 0.00 -1.00 0.00 0.00 179.01 178.67 1cff h ALA 128 N 0.76 0.76 -1.32 3.43 0.00 -0.65 -3.42 119.26 118.81 1cff h ALA 128 Ca -0.08 -0.47 -0.62 0.00 0.00 0.00 0.00 54.91 53.74 1cff h ALA 128 Cb 1.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1cff h ALA 128 CO 0.16 0.66 1.48 -3.47 0.00 0.00 0.00 179.25 178.08 1cff n ASP 129 N -4.01 2.36 -0.04 0.00 2.03 0.44 -4.85 116.55 112.49 1cff n ASP 129 Ca -0.02 0.26 -0.01 0.00 0.52 0.00 0.00 54.79 55.53 1cff n ASP 129 Cb 0.55 -1.36 -0.00 0.00 -0.72 0.00 0.00 41.12 39.59 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 7.21 0.00 -0.91 5.18 5.03 -1.88 -3.37 117.51 128.77 1cff h ILE 130 Ca -0.29 -0.61 0.25 0.00 -0.12 0.00 0.00 64.86 64.08 1cff h ILE 130 Cb 1.29 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 34.95 1cff h ILE 130 CO 1.03 0.00 0.36 0.44 -0.68 0.00 0.00 178.15 179.31 1cff h ASP 131 N -0.61 0.23 -1.61 1.72 3.32 -1.92 -3.46 116.42 114.09 1cff h ASP 131 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1cff h ASP 131 Cb 0.15 0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1cff h ASP 131 CO 0.00 -0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.03 1cff n GLY 132 N -1.34 0.61 0.08 2.75 0.00 -1.26 -4.98 105.19 101.04 1cff n GLY 132 Ca 0.24 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.18 0.54 0.00 1.61 8.00 -1.26 -4.95 116.55 120.30 1cff n ASP 133 Ca 0.00 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1cff n ASP 133 Cb 0.48 0.70 0.00 0.00 -0.02 0.00 0.00 41.12 42.27 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 1.41 1.04 3.47 0.44 0.00 -1.26 -5.11 105.19 105.18 1cff n GLY 134 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 1.10 -0.37 1.61 0.74 -1.26 -4.94 119.66 116.54 1cff s GLN 135 Ca 0.00 -0.20 -0.23 0.00 0.05 0.00 0.00 55.36 54.98 1cff s GLN 135 Cb 0.00 0.51 0.01 0.00 1.10 0.00 0.00 33.01 34.63 1cff s GLN 135 CO 0.00 -0.44 0.75 0.54 -0.55 0.00 0.00 175.29 175.59 1cff s VAL 136 N -2.77 4.76 -0.15 1.34 0.11 -1.25 -4.80 120.40 117.64 1cff s VAL 136 Ca -0.02 0.78 -0.14 0.00 -2.93 0.00 0.00 61.98 59.67 1cff s VAL 136 Cb -0.01 -4.19 -0.05 0.00 -1.53 0.00 0.00 36.38 30.61 1cff s VAL 136 CO -0.05 -0.43 0.30 0.21 -3.33 0.00 0.00 175.10 171.80 1cff s ASN 137 N 1.85 6.46 0.38 3.54 3.84 -1.26 -2.29 114.94 127.45 1cff s ASN 137 Ca 0.30 0.53 0.27 0.00 0.21 0.00 0.00 52.86 54.17 1cff s ASN 137 Cb -0.13 -2.18 1.30 0.00 -0.55 0.00 0.00 41.25 39.68 1cff s ASN 137 CO 0.17 0.12 1.40 0.00 -2.79 0.00 0.00 177.10 175.99 1cff n TYR 138 N 3.44 0.72 -0.35 0.43 9.36 -1.26 0.16 117.16 129.67 1cff n TYR 138 Ca -0.12 0.73 0.32 0.00 3.32 0.00 0.00 57.90 62.15 1cff n TYR 138 Cb 0.52 -1.15 0.67 0.00 -0.63 0.00 0.00 39.34 38.74 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 0.13 0.13 2.98 -0.00 -1.96 1.24 114.58 117.10 1cff h GLU 139 Ca 0.78 -0.01 -0.31 0.00 -0.00 0.00 0.00 59.36 59.82 1cff h GLU 139 Cb 2.41 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 31.13 1cff h GLU 139 CO -0.48 0.09 -1.56 0.93 -0.00 0.00 0.00 179.01 177.99 1cff h GLU 140 N 0.14 0.27 -0.68 1.06 5.08 0.12 -2.32 114.58 118.24 1cff h GLU 140 Ca 0.62 -0.45 0.12 0.00 -1.00 0.00 0.00 59.36 58.64 1cff h GLU 140 Cb 2.12 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 31.46 1cff h GLU 140 CO -0.14 1.13 0.26 0.35 -1.00 0.00 0.00 179.01 179.61 1cff h PHE 141 N 0.07 0.45 0.12 4.33 3.04 0.16 0.49 116.94 125.60 1cff h PHE 141 Ca -0.26 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 61.54 1cff h PHE 141 Cb 2.03 -0.10 0.02 0.00 2.56 0.00 0.00 35.95 40.46 1cff h PHE 141 CO 0.07 0.08 -0.81 -0.39 -2.02 0.00 0.00 178.31 175.24 1cff h VAL 142 N 0.43 1.49 -0.21 1.41 -1.51 -0.95 -2.86 116.25 114.05 1cff h VAL 142 Ca 0.36 -2.47 0.06 0.00 -1.23 0.00 0.00 66.70 63.42 1cff h VAL 142 Cb 0.49 3.09 -0.01 0.00 -2.13 0.00 0.00 31.29 32.73 1cff h VAL 142 CO -0.35 0.70 0.19 1.56 -1.23 0.00 0.00 177.57 178.44 1cff h GLN 143 N -0.30 0.00 0.00 5.19 1.08 -0.91 1.42 115.11 121.59 1cff h GLN 143 Ca -0.14 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1cff h GLN 143 Cb 1.61 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.04 1cff h GLN 143 CO 0.15 0.00 -0.00 0.52 -0.95 0.00 0.00 178.83 178.55 1cff h MET 144 N 0.00 -0.00 0.00 1.46 2.86 -0.06 -3.19 114.93 116.00 1cff h MET 144 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1cff h MET 144 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1cff h MET 144 CO -0.00 0.92 -0.18 1.98 1.06 0.00 0.00 176.91 180.69 1cff h MET 145 N -0.96 0.00 0.49 1.72 1.85 -1.16 -3.42 114.93 113.45 1cff h MET 145 Ca -0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 1cff h MET 145 Cb 0.93 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.96 1cff h MET 145 CO 0.00 0.00 -0.24 1.79 -0.40 0.00 0.00 176.91 178.06 1cff h THR 146 N -0.67 0.00 -6.41 -0.77 1.35 0.15 -3.47 112.91 103.09 1cff h THR 146 Ca 0.00 -0.11 -0.48 0.00 -0.55 0.00 0.00 66.41 65.27 1cff h THR 146 Cb 0.18 0.00 0.01 0.00 -1.73 0.00 0.00 68.15 66.61 1cff h THR 146 CO 0.00 0.00 -0.91 0.00 -0.25 0.00 0.00 175.52 174.36 1cff n ALA 147 N -2.42 -2.26 1.11 6.62 0.00 0.10 -4.95 120.51 118.72 1cff n ALA 147 Ca -0.08 -0.28 0.09 0.00 0.00 0.00 0.00 53.44 53.17 1cff n ALA 147 Cb 0.26 -2.57 0.53 0.00 0.00 0.00 0.00 19.45 17.67 1cff n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86