#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cff s ASP 2 N 0.00 4.01 -0.55 0.00 1.47 -1.26 -5.09 116.67 115.26 1cff s ASP 2 Ca 0.00 -0.43 0.04 0.00 1.18 0.00 0.00 52.55 53.34 1cff s ASP 2 Cb 0.00 -0.68 0.15 0.00 -0.34 0.00 0.00 42.92 42.05 1cff s ASP 2 CO 0.00 0.22 0.36 -1.10 0.68 0.00 0.00 175.17 175.34 1cff s GLN 3 N -1.76 1.75 -0.09 2.11 -0.21 -1.26 -4.98 119.66 115.23 1cff s GLN 3 Ca 0.17 -2.63 -0.03 0.00 0.02 0.00 0.00 55.36 52.89 1cff s GLN 3 Cb -0.11 -2.70 0.01 0.00 1.00 0.00 0.00 33.01 31.22 1cff s GLN 3 CO 0.08 -1.25 0.07 -0.11 -2.12 0.00 0.00 175.29 171.96 1cff n LEU 4 N 2.74 -5.26 -4.77 2.90 0.00 -1.26 -4.85 117.00 106.50 1cff n LEU 4 Ca 0.17 1.27 -0.40 0.00 0.00 0.00 0.00 56.01 57.05 1cff n LEU 4 Cb 0.37 -2.24 -0.00 0.00 0.00 0.00 0.00 43.42 41.55 1cff n LEU 4 CO 0.23 -2.92 1.00 0.42 0.00 0.00 0.00 177.39 176.12 1cff s THR 5 N -0.58 2.48 -0.63 1.96 -4.23 -1.26 -4.92 115.64 108.45 1cff s THR 5 Ca -0.08 0.44 0.23 0.00 -1.18 0.00 0.00 61.69 61.11 1cff s THR 5 Cb 0.01 -3.27 -0.08 0.00 1.34 0.00 0.00 72.50 70.50 1cff s THR 5 CO 0.31 0.08 1.09 -0.62 -0.54 0.00 0.00 174.62 174.94 1cff n GLU 6 N 0.22 0.28 0.14 3.99 4.71 -1.26 -3.97 120.64 124.74 1cff n GLU 6 Ca 0.03 0.01 -0.06 0.00 -0.01 0.00 0.00 57.16 57.13 1cff n GLU 6 Cb 0.42 -1.61 -0.03 0.00 -1.01 0.00 0.00 31.44 29.22 1cff n GLU 6 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1cff h GLU 7 N 0.00 -0.37 0.31 3.49 4.22 -1.99 -2.10 114.58 118.15 1cff h GLU 7 Ca 0.00 0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.45 1cff h GLU 7 Cb 0.72 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1cff h GLU 7 CO 0.00 -0.25 -0.15 1.96 -2.18 0.00 0.00 179.01 178.39 1cff h GLN 8 N -0.61 -0.40 -0.73 1.92 4.20 -2.00 -3.12 115.11 114.36 1cff h GLN 8 Ca -0.04 0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.85 1cff h GLN 8 Cb 0.29 0.09 -0.10 0.00 0.30 0.00 0.00 27.48 28.06 1cff h GLN 8 CO 0.06 -0.10 0.22 0.97 -0.67 0.00 0.00 178.83 179.31 1cff h ILE 9 N -0.71 0.57 -0.97 2.54 2.10 -1.74 0.17 117.51 119.48 1cff h ILE 9 Ca -0.04 -0.11 0.31 0.00 1.08 0.00 0.00 64.86 66.09 1cff h ILE 9 Cb 0.49 0.21 -0.16 0.00 -1.09 0.00 0.00 36.82 36.27 1cff h ILE 9 CO 0.07 0.06 0.41 0.00 -1.08 0.00 0.00 178.15 177.61 1cff h ALA 10 N 1.58 1.72 -0.27 0.18 0.00 -1.31 1.75 119.26 122.91 1cff h ALA 10 Ca 0.41 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.56 1cff h ALA 10 Cb 0.67 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1cff h ALA 10 CO -0.46 -0.61 0.14 0.93 0.00 0.00 0.00 179.25 179.25 1cff h GLU 11 N 0.20 0.29 -0.49 0.00 4.39 -0.68 0.46 114.58 118.75 1cff h GLU 11 Ca 0.69 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.44 1cff h GLU 11 Cb 1.57 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 30.13 1cff h GLU 11 CO -0.68 0.19 0.33 0.35 -1.16 0.00 0.00 179.01 178.04 1cff h PHE 12 N 0.30 0.38 -0.73 4.33 3.57 0.25 0.52 116.94 125.55 1cff h PHE 12 Ca 0.11 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1cff h PHE 12 Cb 0.01 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1cff h PHE 12 CO -0.09 0.20 0.34 -0.22 -2.23 0.00 0.00 178.31 176.31 1cff h LYS 13 N 0.37 1.05 -1.00 1.11 3.64 0.44 0.26 116.57 122.44 1cff h LYS 13 Ca 0.22 -0.15 0.16 0.00 -1.27 0.00 0.00 60.65 59.61 1cff h LYS 13 Cb 0.37 -0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 31.90 1cff h LYS 13 CO -0.05 0.82 0.62 1.05 -2.27 0.00 0.00 179.45 179.62 1cff h GLU 14 N 1.04 0.82 0.13 1.90 -0.00 0.37 0.24 114.58 119.08 1cff h GLU 14 Ca 0.25 -0.05 -0.29 0.00 -0.00 0.00 0.00 59.36 59.27 1cff h GLU 14 Cb 0.13 -0.19 0.02 0.00 -0.00 0.00 0.00 28.75 28.72 1cff h GLU 14 CO -0.03 0.54 -1.25 0.00 -0.00 0.00 0.00 179.01 178.27 1cff h ALA 15 N 1.61 0.02 -0.17 1.06 0.00 -1.07 -2.50 119.26 118.22 1cff h ALA 15 Ca 0.55 -0.79 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1cff h ALA 15 Cb 0.75 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1cff h ALA 15 CO -0.34 0.74 0.27 0.35 0.00 0.00 0.00 179.25 180.27 1cff h PHE 16 N 0.23 0.00 0.00 0.00 3.57 0.25 2.88 116.94 123.87 1cff h PHE 16 Ca -0.18 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.03 1cff h PHE 16 Cb 1.93 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.61 1cff h PHE 16 CO 0.10 0.00 -1.90 0.43 -2.23 0.00 0.00 178.31 174.72 1cff n SER 17 N -3.47 0.57 -0.04 0.41 7.64 0.47 -4.14 113.62 115.05 1cff n SER 17 Ca 0.01 0.27 -0.21 0.00 1.01 0.00 0.00 58.87 59.95 1cff n SER 17 Cb 0.37 0.36 -0.13 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.00 0.24 -1.96 -3.43 3.38 -0.42 -3.35 115.31 109.77 1cff h LEU 18 Ca -0.35 -0.76 0.34 0.00 0.09 0.00 0.00 57.88 57.21 1cff h LEU 18 Cb 2.00 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 42.63 1cff h LEU 18 CO 0.06 1.63 0.88 0.15 0.09 0.00 0.00 178.44 181.24 1cff h PHE 19 N -0.48 0.00 0.00 1.13 3.04 0.48 0.86 116.94 121.97 1cff h PHE 19 Ca -0.35 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.60 1cff h PHE 19 Cb 1.65 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.16 1cff h PHE 19 CO 0.11 0.00 -0.02 0.22 -2.02 0.00 0.00 178.31 176.60 1cff h ASP 20 N 0.00 0.00 -6.51 0.41 1.82 -1.72 -3.46 116.42 106.95 1cff h ASP 20 Ca 0.56 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 56.70 1cff h ASP 20 Cb 2.32 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 42.27 1cff h ASP 20 CO -0.01 0.02 -0.89 1.17 -1.61 0.00 0.00 179.24 177.92 1cff n LYS 21 N -3.45 -3.21 0.00 0.28 4.81 0.30 -4.63 118.16 112.26 1cff n LYS 21 Ca -0.03 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1cff n LYS 21 Cb 0.11 -4.49 0.00 0.00 0.02 0.00 0.00 35.03 30.67 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 -2.98 0.00 -0.70 3.14 5.68 -1.26 -5.02 116.55 115.40 1cff n ASP 22 Ca -0.31 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.98 1cff n ASP 22 Cb 0.69 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 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 -0.85 0.90 0.02 6.12 0.00 -1.26 -5.04 105.19 105.08 1cff n GLY 23 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.70 4.11 0.00 1.61 2.03 -1.26 -5.02 116.55 117.32 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 0.24 0.50 0.00 0.00 -0.72 0.00 0.00 41.12 41.14 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 2.86 3.33 3.22 0.27 0.00 -1.26 -5.01 105.19 108.59 1cff n GLY 25 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.51 1.61 -0.17 2.61 -4.23 -1.26 -4.88 115.64 106.81 1cff s THR 26 Ca 0.00 -0.88 -0.10 0.00 -1.18 0.00 0.00 61.69 59.53 1cff s THR 26 Cb 0.00 -1.34 -0.05 0.00 1.34 0.00 0.00 72.50 72.45 1cff s THR 26 CO 0.00 0.45 0.16 -0.63 -0.54 0.00 0.00 174.62 174.05 1cff s ILE 27 N -0.49 5.41 0.10 2.99 -1.09 -1.08 -4.93 121.20 122.12 1cff s ILE 27 Ca 0.08 0.25 0.02 0.00 -2.23 0.00 0.00 60.65 58.77 1cff s ILE 27 Cb -0.08 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 37.32 1cff s ILE 27 CO -0.01 0.48 0.06 0.35 -1.23 0.00 0.00 174.94 174.59 1cff n THR 28 N 3.14 0.00 0.27 2.92 -2.24 -1.26 0.36 114.28 117.47 1cff n THR 28 Ca -0.16 -0.69 0.15 0.00 -2.27 0.00 0.00 64.05 61.08 1cff n THR 28 Cb 0.53 0.30 0.73 0.00 -2.10 0.00 0.00 70.33 69.79 1cff n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1cff h THR 29 N 1.26 0.26 0.66 4.28 1.35 -1.95 0.27 112.91 119.05 1cff h THR 29 Ca -0.08 -0.57 -0.03 0.00 -0.55 0.00 0.00 66.41 65.19 1cff h THR 29 Cb 0.35 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1cff h THR 29 CO 0.12 0.08 -0.35 0.50 -0.25 0.00 0.00 175.52 175.62 1cff h LYS 30 N 0.00 -0.89 0.07 4.72 3.11 -1.96 1.27 116.57 122.89 1cff h LYS 30 Ca -0.00 0.06 -0.27 0.00 -2.81 0.00 0.00 60.65 57.63 1cff h LYS 30 Cb 0.44 0.20 0.02 0.00 -1.00 0.00 0.00 32.23 31.88 1cff h LYS 30 CO 0.01 -0.59 -1.13 1.05 -2.81 0.00 0.00 179.45 175.98 1cff h GLU 31 N -0.92 0.51 -0.25 1.90 9.09 -1.82 -2.60 114.58 120.48 1cff h GLU 31 Ca -0.09 -0.64 -0.03 0.00 0.05 0.00 0.00 59.36 58.65 1cff h GLU 31 Cb 0.72 0.20 -0.01 0.00 -1.65 0.00 0.00 28.75 28.01 1cff h GLU 31 CO 0.13 1.26 0.04 1.25 0.05 0.00 0.00 179.01 181.74 1cff h LEU 32 N 0.24 0.41 -1.11 3.06 7.12 -0.50 -2.76 115.31 121.76 1cff h LEU 32 Ca -0.14 -0.26 -0.04 0.00 0.13 0.00 0.00 57.88 57.57 1cff h LEU 32 Cb 1.79 -0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 41.79 1cff h LEU 32 CO 0.21 0.57 0.16 1.23 -0.13 0.00 0.00 178.44 180.48 1cff h GLY 33 N 0.23 0.85 0.55 3.75 0.00 0.16 -0.97 103.07 107.63 1cff h GLY 33 Ca 0.08 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 46.99 1cff h GLY 33 CO 0.01 0.43 -0.09 -0.84 0.00 0.00 0.00 176.54 176.04 1cff h THR 34 N 0.77 0.71 -0.19 4.70 2.02 -1.24 1.27 112.91 120.95 1cff h THR 34 Ca 0.18 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 1cff h THR 34 Cb 0.23 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1cff h THR 34 CO -0.01 0.00 -0.20 0.58 0.37 0.00 0.00 175.52 176.26 1cff h VAL 35 N -0.09 1.23 0.00 3.16 2.07 -1.22 0.59 116.25 122.00 1cff h VAL 35 Ca 0.09 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1cff h VAL 35 Cb 0.23 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1cff h VAL 35 CO -0.22 0.33 0.00 0.23 0.02 0.00 0.00 177.57 177.93 1cff n MET 36 N -4.18 0.24 -0.06 1.57 2.00 -0.39 -1.97 117.12 114.32 1cff n MET 36 Ca -0.00 0.20 -0.05 0.00 0.00 0.00 0.00 57.70 57.85 1cff n MET 36 Cb 0.35 -1.78 -0.11 0.00 0.00 0.00 0.00 33.22 31.67 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 -2.21 1.49 0.05 0.03 3.00 0.42 0.16 116.66 119.60 1cff n ARG 37 Ca 0.06 -0.03 0.12 0.00 -0.00 0.00 0.00 57.85 58.00 1cff n ARG 37 Cb 0.42 -1.37 0.13 0.00 0.00 0.00 0.00 32.46 31.65 1cff n ARG 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1cff n SER 38 N -2.45 0.66 0.07 6.15 7.64 0.20 -3.67 113.62 122.22 1cff n SER 38 Ca -0.20 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.67 1cff n SER 38 Cb 0.88 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.45 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 -2.03 0.36 0.26 -3.43 4.32 -0.83 -4.79 117.00 110.86 1cff n LEU 39 Ca 0.03 0.23 0.12 0.00 -0.02 0.00 0.00 56.01 56.37 1cff n LEU 39 Cb 0.43 0.02 0.69 0.00 -1.62 0.00 0.00 43.42 42.94 1cff n LEU 39 CO 0.37 -0.71 0.95 1.23 -1.22 0.00 0.00 177.39 178.02 1cff h GLY 40 N 0.00 0.00 -1.58 -0.72 0.00 -1.45 -3.47 103.07 95.85 1cff h GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cff h GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1cff n GLN 41 N -3.65 0.00 0.00 4.80 10.64 0.43 -4.49 117.38 125.10 1cff n GLN 41 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 1cff n GLN 41 Cb 0.26 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.64 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 0.95 0.00 -3.30 2.61 5.03 -1.23 -5.00 115.26 114.32 1cff n ASN 42 Ca 0.00 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.03 1cff n ASN 42 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 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 0.00 0.00 -1.33 3.52 -0.02 -1.26 -4.88 135.00 131.03 1cff n PRO 43 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1cff n PRO 43 Cb 0.00 -1.02 0.09 0.00 -0.02 0.00 0.00 33.50 32.55 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 -0.17 3.06 0.50 3.45 -4.23 -1.26 -4.79 115.64 112.20 1cff s THR 44 Ca 0.62 0.39 0.27 0.00 -1.18 0.00 0.00 61.69 61.80 1cff s THR 44 Cb -0.88 -2.83 0.45 0.00 1.34 0.00 0.00 72.50 70.58 1cff s THR 44 CO 0.42 -0.40 1.88 -0.33 -0.54 0.00 0.00 174.62 175.64 1cff h GLU 45 N -0.86 0.12 0.00 3.99 5.08 -2.02 0.40 114.58 121.29 1cff h GLU 45 Ca -0.45 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 57.66 1cff h GLU 45 Cb 1.24 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1cff h GLU 45 CO 0.51 0.08 -1.60 0.00 -1.00 0.00 0.00 179.01 177.00 1cff n ALA 46 N -2.65 1.64 0.30 3.43 0.00 -1.26 -3.98 120.51 117.99 1cff n ALA 46 Ca 0.19 -0.68 -0.17 0.00 0.00 0.00 0.00 53.44 52.78 1cff n ALA 46 Cb 0.89 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 19.35 1cff n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1cff h GLU 47 N 0.00 -0.93 -0.72 0.00 4.22 -0.53 0.92 114.58 117.53 1cff h GLU 47 Ca -0.24 0.06 0.18 0.00 0.08 0.00 0.00 59.36 59.44 1cff h GLU 47 Cb 1.87 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 31.29 1cff h GLU 47 CO 0.07 -0.62 0.50 1.37 -2.18 0.00 0.00 179.01 178.15 1cff h LEU 48 N -0.97 0.17 -0.77 1.64 -0.00 -1.68 1.75 115.31 115.45 1cff h LEU 48 Ca -0.07 0.01 -0.12 0.00 -0.00 0.00 0.00 57.88 57.70 1cff h LEU 48 Cb 0.82 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.45 1cff h LEU 48 CO -0.02 0.08 -0.42 -0.61 -0.00 0.00 0.00 178.44 177.47 1cff h GLN 49 N 0.17 0.43 -0.02 0.17 5.75 -1.32 0.31 115.11 120.59 1cff h GLN 49 Ca 0.35 -0.22 -0.18 0.00 -0.15 0.00 0.00 58.65 58.45 1cff h GLN 49 Cb 1.14 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.68 1cff h GLN 49 CO -0.06 0.77 -0.79 0.22 -2.65 0.00 0.00 178.83 176.33 1cff h ASP 50 N 0.35 0.28 0.30 -0.69 1.82 0.95 0.19 116.42 119.63 1cff h ASP 50 Ca 0.03 -0.21 -0.11 0.00 -0.39 0.00 0.00 57.03 56.35 1cff h ASP 50 Cb 0.88 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 1cff h ASP 50 CO 0.07 0.96 -0.45 -0.03 -1.61 0.00 0.00 179.24 178.18 1cff h MET 51 N 0.14 0.19 0.05 0.28 4.05 0.24 0.35 114.93 120.22 1cff h MET 51 Ca -0.03 -0.10 -0.12 0.00 -0.28 0.00 0.00 59.70 59.17 1cff h MET 51 Cb 1.37 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.19 1cff h MET 51 CO 0.12 0.61 -0.48 0.82 0.23 0.00 0.00 176.91 178.21 1cff h ILE 52 N 0.16 1.55 0.00 1.77 1.08 -0.18 -3.09 117.51 118.79 1cff h ILE 52 Ca 0.01 -2.24 -0.05 0.00 -0.39 0.00 0.00 64.86 62.20 1cff h ILE 52 Cb 0.86 2.97 -0.01 0.00 -3.07 0.00 0.00 36.82 37.58 1cff h ILE 52 CO 0.07 0.62 -0.22 0.78 -0.69 0.00 0.00 178.15 178.71 1cff h ASN 53 N -0.44 0.00 -0.24 1.72 -0.26 -0.52 -1.39 115.58 114.45 1cff h ASN 53 Ca -0.07 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.57 1cff h ASN 53 Cb 1.29 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.53 1cff h ASN 53 CO 0.09 0.22 -0.16 -0.33 -1.06 0.00 0.00 177.43 176.19 1cff h GLU 54 N 0.00 0.67 -0.28 0.81 5.08 -0.32 -2.60 114.58 117.94 1cff h GLU 54 Ca -0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1cff h GLU 54 Cb 0.45 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1cff h GLU 54 CO 0.03 0.80 0.00 1.55 -1.00 0.00 0.00 179.01 180.38 1cff n VAL 55 N -4.15 0.35 -1.16 3.13 3.14 -0.89 -4.61 118.33 114.13 1cff n VAL 55 Ca 0.01 -0.58 -0.30 0.00 -2.96 0.00 0.00 64.34 60.50 1cff n VAL 55 Cb 0.38 0.82 -0.06 0.00 -1.06 0.00 0.00 33.84 33.91 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 1.08 7.42 -0.31 6.55 8.00 -0.57 -4.49 116.55 134.21 1cff n ASP 56 Ca 0.18 -2.51 0.09 0.00 0.71 0.00 0.00 54.79 53.25 1cff n ASP 56 Cb 0.51 -1.46 0.25 0.00 -0.02 0.00 0.00 41.12 40.40 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 4.60 1.38 0.00 2.24 0.00 -1.83 0.32 119.26 125.98 1cff h ALA 57 Ca 0.66 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.65 1cff h ALA 57 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1cff h ALA 57 CO 1.34 -0.07 -1.69 -0.40 0.00 0.00 0.00 179.25 178.42 1cff n ASP 58 N -4.84 0.26 -3.01 0.00 5.68 -1.26 -4.96 116.55 108.41 1cff n ASP 58 Ca 0.19 0.07 -0.14 0.00 -0.50 0.00 0.00 54.79 54.41 1cff n ASP 58 Cb 0.47 1.54 -0.02 0.00 -1.14 0.00 0.00 41.12 41.97 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 1.24 -0.48 0.35 6.12 0.00 0.10 -4.78 105.19 107.75 1cff n GLY 59 Ca -0.03 0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1cff n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1cff h ASN 60 N -0.35 0.67 0.00 1.61 -1.07 -1.93 -3.45 115.58 111.06 1cff h ASN 60 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.13 1cff h ASN 60 Cb 1.16 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 37.27 1cff h ASN 60 CO 0.32 0.43 0.00 0.61 0.07 0.00 0.00 177.43 178.86 1cff n GLY 61 N -1.45 0.69 0.00 9.14 0.00 -1.26 -5.16 105.19 107.16 1cff n GLY 61 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.14 2.61 -2.24 -1.26 -5.06 114.28 106.19 1cff n THR 62 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1cff n THR 62 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.78 3.70 0.17 2.28 -1.09 0.16 -4.85 121.20 118.78 1cff s ILE 63 Ca 0.00 0.96 0.11 0.00 -2.23 0.00 0.00 60.65 59.49 1cff s ILE 63 Cb 0.00 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1cff s ILE 63 CO 0.00 -0.05 -0.24 -0.62 -1.23 0.00 0.00 174.94 172.80 1cff s ASP 64 N 2.56 3.27 0.31 3.58 2.15 -1.26 -2.63 116.67 124.65 1cff s ASP 64 Ca 0.67 -0.82 0.11 0.00 0.43 0.00 0.00 52.55 52.94 1cff s ASP 64 Cb -0.31 -0.23 0.97 0.00 -0.30 0.00 0.00 42.92 43.05 1cff s ASP 64 CO 0.26 0.12 1.41 0.33 -0.17 0.00 0.00 175.17 177.12 1cff n PHE 65 N 0.49 0.83 0.10 -5.34 7.35 -1.26 -1.39 117.46 118.24 1cff n PHE 65 Ca -0.14 1.07 -0.05 0.00 -0.76 0.00 0.00 57.45 57.56 1cff n PHE 65 Cb 0.55 -1.33 -0.02 0.00 0.35 0.00 0.00 39.48 39.02 1cff n PHE 65 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1cff h PRO 66 N 0.00 -0.32 -0.70 -7.13 0.11 -1.99 -2.94 132.00 119.03 1cff h PRO 66 Ca 0.66 0.02 0.15 0.00 0.11 0.00 0.00 66.00 66.94 1cff h PRO 66 Cb 1.60 0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.68 1cff h PRO 66 CO -0.76 -0.21 0.17 1.05 -0.21 0.00 0.00 178.00 178.04 1cff h GLU 67 N -0.88 0.27 -0.38 1.05 4.11 -1.73 0.72 114.58 117.74 1cff h GLU 67 Ca -0.03 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.42 1cff h GLU 67 Cb 0.25 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1cff h GLU 67 CO 0.06 0.18 0.26 0.35 0.07 0.00 0.00 179.01 179.92 1cff h PHE 68 N 0.28 0.36 0.76 2.06 3.04 -1.37 -2.35 116.94 119.71 1cff h PHE 68 Ca 0.39 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.31 1cff h PHE 68 Cb 0.64 -0.12 0.01 0.00 2.56 0.00 0.00 35.95 39.03 1cff h PHE 68 CO -0.26 0.21 -0.36 1.25 -2.02 0.00 0.00 178.31 177.13 1cff h LEU 69 N 0.37 -0.86 -0.05 0.59 7.12 0.60 -2.60 115.31 120.49 1cff h LEU 69 Ca 0.16 0.01 0.03 0.00 0.13 0.00 0.00 57.88 58.22 1cff h LEU 69 Cb 0.17 0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 40.47 1cff h LEU 69 CO -0.04 -0.57 -0.43 0.71 -0.13 0.00 0.00 178.44 177.98 1cff h THR 70 N -1.09 0.13 -1.05 1.05 1.35 -0.83 1.49 112.91 113.97 1cff h THR 70 Ca -0.10 0.00 0.28 0.00 -0.55 0.00 0.00 66.41 66.04 1cff h THR 70 Cb 0.79 0.13 -0.12 0.00 -1.73 0.00 0.00 68.15 67.23 1cff h THR 70 CO 0.17 0.00 0.64 -0.03 -0.25 0.00 0.00 175.52 176.05 1cff h MET 71 N -0.56 0.41 0.00 4.72 1.85 -1.47 0.32 114.93 120.20 1cff h MET 71 Ca 0.05 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1cff h MET 71 Cb 0.65 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.59 1cff h MET 71 CO -0.35 0.27 -0.31 1.98 -0.40 0.00 0.00 176.91 178.11 1cff h MET 72 N 0.42 0.00 0.28 0.39 1.85 -0.79 -3.42 114.93 113.66 1cff h MET 72 Ca 0.66 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.74 1cff h MET 72 Cb 1.53 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.55 1cff h MET 72 CO -0.43 0.00 -0.25 0.00 -0.40 0.00 0.00 176.91 175.83 1cff h ALA 73 N -1.13 -0.97 -2.20 0.39 0.00 0.22 -3.42 119.26 112.15 1cff h ALA 73 Ca 0.00 -0.10 -0.59 0.00 0.00 0.00 0.00 54.91 54.22 1cff h ALA 73 Cb 0.31 0.47 0.04 0.00 0.00 0.00 0.00 17.79 18.61 1cff h ALA 73 CO 0.00 -0.98 0.90 -2.13 0.00 0.00 0.00 179.25 177.04 1cff n ARG 74 N -3.88 2.18 -3.80 0.00 3.00 0.11 -4.97 116.66 109.30 1cff n ARG 74 Ca -0.06 0.79 -0.10 0.00 -0.00 0.00 0.00 57.85 58.48 1cff n ARG 74 Cb 0.23 -2.59 -0.05 0.00 0.00 0.00 0.00 32.46 30.06 1cff n ARG 74 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1cff s LYS 75 N 1.97 1.23 -0.50 -0.14 1.02 -1.26 -4.71 119.74 117.35 1cff s LYS 75 Ca 0.83 -0.95 -0.15 0.00 0.02 0.00 0.00 55.97 55.72 1cff s LYS 75 Cb -0.68 0.45 0.10 0.00 -0.52 0.00 0.00 37.83 37.18 1cff s LYS 75 CO 0.42 -0.49 0.43 0.00 -0.92 0.00 0.00 175.35 174.80 1cff s MET 76 N -3.89 2.96 0.45 1.68 0.23 -1.26 -5.07 119.30 114.40 1cff s MET 76 Ca 0.10 -1.51 -0.07 0.00 -1.03 0.00 0.00 55.69 53.18 1cff s MET 76 Cb 0.01 -4.18 0.10 0.00 -1.53 0.00 0.00 34.83 29.23 1cff s MET 76 CO -0.04 -1.15 0.61 1.63 -2.03 0.00 0.00 175.02 174.04 1cff n LYS 77 N 5.20 -0.51 -0.43 3.16 4.76 -1.26 -5.11 118.16 123.97 1cff n LYS 77 Ca -0.13 -1.01 0.00 0.00 -2.87 0.00 0.00 58.31 54.30 1cff n LYS 77 Cb 0.42 -0.61 0.00 0.00 -1.84 0.00 0.00 35.03 33.00 1cff n LYS 77 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1cff n ASP 78 N -3.36 0.45 -3.31 4.39 5.75 -1.26 -5.12 116.55 114.10 1cff n ASP 78 Ca 0.08 -0.35 -0.15 0.00 -0.01 0.00 0.00 54.79 54.36 1cff n ASP 78 Cb 0.28 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.30 1cff n ASP 78 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1cff s THR 79 N 1.34 -0.39 -0.39 2.12 -1.32 -1.26 -4.99 115.64 110.76 1cff s THR 79 Ca 0.00 -1.03 0.06 0.00 -1.21 0.00 0.00 61.69 59.51 1cff s THR 79 Cb 0.00 -0.60 0.52 0.00 -1.51 0.00 0.00 72.50 70.91 1cff s THR 79 CO 0.00 -0.54 1.60 -0.90 -2.21 0.00 0.00 174.62 172.56 1cff n ASP 80 N 4.05 3.99 -3.51 8.08 5.68 -1.26 -4.93 116.55 128.64 1cff n ASP 80 Ca 0.13 -3.76 -0.12 0.00 -0.50 0.00 0.00 54.79 50.54 1cff n ASP 80 Cb 0.47 -0.68 -0.04 0.00 -1.14 0.00 0.00 41.12 39.72 1cff n ASP 80 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1cff s SER 81 N -2.39 0.50 0.00 -1.12 0.15 -1.26 -4.98 113.70 104.59 1cff s SER 81 Ca 0.51 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.88 1cff s SER 81 Cb 0.44 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.38 1cff s SER 81 CO 0.02 -1.25 0.00 -0.62 1.20 0.00 0.00 173.24 172.59 1cff n GLU 82 N -0.49 0.00 0.00 5.44 4.71 -1.26 -4.79 120.64 124.25 1cff n GLU 82 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1cff n GLU 82 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.05 1cff n GLU 82 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1cff n GLU 83 N 0.00 0.00 -0.09 3.49 0.00 -1.26 -3.40 120.64 119.38 1cff n GLU 83 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.95 1cff n GLU 83 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.32 1cff n GLU 83 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1cff n GLU 84 N 0.00 0.67 0.06 5.31 2.13 -1.26 -4.14 120.64 123.42 1cff n GLU 84 Ca 0.00 0.24 0.08 0.00 0.66 0.00 0.00 57.16 58.14 1cff n GLU 84 Cb 0.00 -1.60 0.35 0.00 0.27 0.00 0.00 31.44 30.46 1cff n GLU 84 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1cff n ILE 85 N -3.59 1.13 -0.59 6.31 5.41 -1.22 -3.43 119.36 123.39 1cff n ILE 85 Ca -0.42 0.36 0.45 0.00 1.00 0.00 0.00 62.75 64.14 1cff n ILE 85 Cb 0.96 -1.25 0.70 0.00 -0.71 0.00 0.00 39.64 39.34 1cff n ILE 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1cff n ARG 86 N -1.84 -0.01 -0.07 0.38 0.63 -1.26 0.21 116.66 114.70 1cff n ARG 86 Ca 0.02 0.97 -0.10 0.00 -0.92 0.00 0.00 57.85 57.82 1cff n ARG 86 Cb 0.14 -2.18 -0.08 0.00 0.45 0.00 0.00 32.46 30.78 1cff n ARG 86 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1cff h GLU 87 N 0.00 0.00 0.00 -0.14 5.08 -1.88 -2.49 114.58 115.15 1cff h GLU 87 Ca 0.82 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.17 1cff h GLU 87 Cb 3.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 32.41 1cff h GLU 87 CO -0.08 0.64 -0.05 0.00 -1.00 0.00 0.00 179.01 178.52 1cff h ALA 88 N -0.42 1.88 -0.45 3.43 0.00 -0.12 0.83 119.26 124.41 1cff h ALA 88 Ca -0.04 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1cff h ALA 88 Cb 0.70 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1cff h ALA 88 CO -0.02 0.06 -0.24 0.35 0.00 0.00 0.00 179.25 179.40 1cff h PHE 89 N 0.00 1.11 0.00 0.00 3.57 0.23 0.20 116.94 122.05 1cff h PHE 89 Ca -0.00 -0.28 -0.18 0.00 3.53 0.00 0.00 57.97 61.04 1cff h PHE 89 Cb 0.08 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 1cff h PHE 89 CO 0.00 1.10 -1.05 0.00 -2.23 0.00 0.00 178.31 176.13 1cff h ARG 90 N 0.80 0.00 -0.26 1.11 3.08 -0.79 -2.38 114.38 115.94 1cff h ARG 90 Ca 0.10 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.01 1cff h ARG 90 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1cff h ARG 90 CO 0.07 0.61 -0.40 0.28 -1.07 0.00 0.00 179.97 179.46 1cff h VAL 91 N 0.00 1.30 0.00 2.04 2.07 0.79 -3.17 116.25 119.28 1cff h VAL 91 Ca -0.09 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1cff h VAL 91 Cb 1.65 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1cff h VAL 91 CO 0.08 0.50 -1.06 0.49 0.02 0.00 0.00 177.57 177.60 1cff n PHE 92 N -4.03 0.48 0.24 1.57 3.72 0.69 -4.14 117.46 115.99 1cff n PHE 92 Ca -0.02 0.14 0.12 0.00 -0.05 0.00 0.00 57.45 57.64 1cff n PHE 92 Cb 0.52 -0.62 0.17 0.00 -0.94 0.00 0.00 39.48 38.60 1cff n PHE 92 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1cff h ASP 93 N 0.00 0.00 -4.55 4.37 1.82 -1.41 -3.42 116.42 113.24 1cff h ASP 93 Ca 0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1cff h ASP 93 Cb 0.84 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.85 1cff h ASP 93 CO 0.00 0.00 0.00 1.17 -1.61 0.00 0.00 179.24 178.80 1cff n LYS 94 N -2.97 -2.76 0.00 0.28 3.00 -1.20 -3.62 118.16 110.89 1cff n LYS 94 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1cff n LYS 94 Cb 0.52 -4.05 0.00 0.00 0.00 0.00 0.00 35.03 31.50 1cff n LYS 94 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cff n ASP 95 N -1.30 -0.01 0.00 3.14 5.68 -1.26 -4.87 116.55 117.92 1cff n ASP 95 Ca 0.00 0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 1cff n ASP 95 Cb 0.44 0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 1cff n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 96 N -1.27 -0.04 0.88 6.12 0.00 -1.24 -5.10 105.19 104.54 1cff n GLY 96 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 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 1.05 0.00 1.61 5.03 -1.26 -5.06 115.26 116.63 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 -0.35 0.00 0.00 -1.02 0.00 0.00 39.78 38.41 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 3.05 1.02 3.39 7.41 0.00 -1.26 -5.13 105.19 113.68 1cff n GLY 98 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.87 2.27 -0.66 1.61 2.02 -1.26 -3.85 117.35 116.62 1cff s TYR 99 Ca 0.00 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.36 1cff s TYR 99 Cb 0.00 -1.22 0.16 0.00 -0.40 0.00 0.00 41.96 40.50 1cff s TYR 99 CO 0.00 0.34 0.44 0.42 -1.57 0.00 0.00 175.55 175.18 1cff s ILE 100 N -1.12 2.96 0.05 2.71 1.01 -1.05 -4.87 121.20 120.89 1cff s ILE 100 Ca 0.14 -3.87 -0.26 0.00 0.00 0.00 0.00 60.65 56.66 1cff s ILE 100 Cb -0.10 -2.96 -0.17 0.00 0.01 0.00 0.00 42.46 39.24 1cff s ILE 100 CO 0.06 -0.94 1.55 -1.28 0.00 0.00 0.00 174.94 174.33 1cff h SER 101 N 5.89 -0.20 0.00 3.58 0.87 -1.90 -3.36 113.55 118.42 1cff h SER 101 Ca 0.06 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1cff h SER 101 Cb 0.81 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1cff h SER 101 CO 0.72 -0.02 0.00 0.00 -0.53 0.00 0.00 176.83 177.00 1cff n ALA 102 N -2.27 0.00 -0.14 6.23 0.00 -1.26 -4.79 120.51 118.27 1cff n ALA 102 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 1cff n ALA 102 Cb 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.51 -0.27 0.00 0.00 -1.96 0.62 119.26 117.14 1cff h ALA 103 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1cff h ALA 103 Cb 0.00 1.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1cff h ALA 103 CO 0.00 -0.71 -0.14 1.05 0.00 0.00 0.00 179.25 179.46 1cff h GLU 104 N -0.16 -0.10 -0.95 0.00 4.11 -1.85 -0.73 114.58 114.90 1cff h GLU 104 Ca 0.06 0.01 0.18 0.00 0.07 0.00 0.00 59.36 59.68 1cff h GLU 104 Cb 0.33 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.49 1cff h GLU 104 CO -0.44 -0.07 0.54 -0.07 0.07 0.00 0.00 179.01 179.04 1cff h LEU 105 N -0.10 0.66 0.43 3.06 3.38 -1.43 1.72 115.31 123.03 1cff h LEU 105 Ca 0.14 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1cff h LEU 105 Cb 0.32 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1cff h LEU 105 CO -0.34 0.23 -0.44 0.03 0.09 0.00 0.00 178.44 178.01 1cff h ARG 106 N 0.68 -0.84 0.05 1.13 2.47 0.17 1.09 114.38 119.14 1cff h ARG 106 Ca 0.54 0.06 -0.23 0.00 -1.26 0.00 0.00 59.98 59.09 1cff h ARG 106 Cb 0.85 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 29.35 1cff h ARG 106 CO -0.39 -0.56 -1.05 1.25 0.56 0.00 0.00 179.97 179.78 1cff h HIS 107 N -0.87 0.33 -0.06 3.04 2.76 -1.18 -2.07 115.15 117.10 1cff h HIS 107 Ca -0.05 -0.21 -0.04 0.00 -2.20 0.00 0.00 60.37 57.86 1cff h HIS 107 Cb 0.76 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1cff h HIS 107 CO -0.23 1.11 -0.11 0.28 -1.30 0.00 0.00 177.93 177.67 1cff h VAL 108 N 0.08 1.41 0.00 5.26 2.07 0.26 -2.54 116.25 122.80 1cff h VAL 108 Ca -0.07 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1cff h VAL 108 Cb 1.74 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 1cff h VAL 108 CO 0.16 0.39 -0.16 0.80 0.02 0.00 0.00 177.57 178.78 1cff n MET 109 N -4.65 0.26 0.03 1.57 0.00 0.38 -1.69 117.12 113.01 1cff n MET 109 Ca -0.08 0.17 -0.08 0.00 0.00 0.00 0.00 57.70 57.71 1cff n MET 109 Cb 0.36 -1.76 -0.13 0.00 0.00 0.00 0.00 33.22 31.69 1cff n MET 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1cff h THR 110 N 0.00 1.34 0.00 1.12 1.03 -1.41 -3.05 112.91 111.94 1cff h THR 110 Ca 0.00 -3.10 -0.21 0.00 -0.01 0.00 0.00 66.41 63.09 1cff h THR 110 Cb 0.73 2.67 -0.03 0.00 -1.07 0.00 0.00 68.15 70.45 1cff h THR 110 CO 0.00 0.77 -1.10 -1.13 -0.01 0.00 0.00 175.52 174.05 1cff h ASN 111 N 0.00 0.00 0.00 0.00 -0.73 -1.46 -3.23 115.58 110.17 1cff h ASN 111 Ca -0.13 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.04 1cff h ASN 111 Cb 1.88 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.47 1cff h ASN 111 CO 0.11 0.90 0.14 0.25 -0.37 0.00 0.00 177.43 178.47 1cff h LEU 112 N 0.00 0.00 0.00 0.34 5.85 -1.38 -3.43 115.31 116.69 1cff h LEU 112 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1cff h LEU 112 Cb 1.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1cff h LEU 112 CO 0.11 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.82 1cff n GLY 113 N -1.14 -0.22 0.00 3.75 0.00 -1.23 -5.09 105.19 101.26 1cff n GLY 113 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 3.24 -2.96 1.61 -0.58 -1.15 -5.06 120.64 115.73 1cff n GLU 114 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1cff n GLU 114 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 1cff n GLU 114 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1cff n LYS 115 N 0.00 0.58 -2.64 3.49 4.81 -1.26 -4.28 118.16 118.86 1cff n LYS 115 Ca 0.00 -2.39 -0.42 0.00 -0.87 0.00 0.00 58.31 54.64 1cff n LYS 115 Cb 0.00 -1.46 -0.03 0.00 0.02 0.00 0.00 35.03 33.56 1cff n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1cff s LEU 116 N -0.17 3.57 1.04 3.14 1.43 -1.26 -5.01 118.68 121.43 1cff s LEU 116 Ca 0.32 -0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 1cff s LEU 116 Cb 0.11 -2.52 0.21 0.00 0.03 0.00 0.00 46.19 44.02 1cff s LEU 116 CO -0.15 -1.68 0.45 0.35 0.23 0.00 0.00 176.35 175.55 1cff n THR 117 N 6.27 0.00 0.26 5.49 -2.24 -1.26 -4.20 114.28 118.60 1cff n THR 117 Ca 0.04 -0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 1cff n THR 117 Cb 0.48 -0.54 0.65 0.00 -2.10 0.00 0.00 70.33 68.82 1cff n THR 117 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1cff h ASP 118 N -2.88 0.00 0.70 3.42 2.03 -1.99 -1.17 116.42 116.52 1cff h ASP 118 Ca -0.23 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 55.81 1cff h ASP 118 Cb 0.75 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.23 1cff h ASP 118 CO 0.14 0.13 -1.30 -0.33 -1.03 0.00 0.00 179.24 176.85 1cff h GLU 119 N 0.00 0.13 0.37 4.15 5.08 -1.99 -2.81 114.58 119.52 1cff h GLU 119 Ca -0.00 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1cff h GLU 119 Cb 0.50 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1cff h GLU 119 CO 0.02 1.01 -0.18 0.93 -1.00 0.00 0.00 179.01 179.79 1cff h GLU 120 N 0.04 -0.48 -0.98 2.33 4.39 -1.72 -2.85 114.58 115.31 1cff h GLU 120 Ca -0.14 0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.68 1cff h GLU 120 Cb 1.92 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 30.60 1cff h GLU 120 CO 0.15 -0.27 0.63 -0.24 -1.16 0.00 0.00 179.01 178.11 1cff h VAL 121 N -1.10 1.01 0.42 3.13 3.04 -1.39 0.67 116.25 122.02 1cff h VAL 121 Ca -0.05 -0.36 -0.02 0.00 -1.01 0.00 0.00 66.70 65.26 1cff h VAL 121 Cb 0.43 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.58 1cff h VAL 121 CO 0.08 0.19 -0.20 -0.78 -1.01 0.00 0.00 177.57 175.86 1cff h ASP 122 N 1.05 -0.47 -0.58 3.17 3.58 -1.58 -0.87 116.42 120.73 1cff h ASP 122 Ca 0.45 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.89 1cff h ASP 122 Cb 0.33 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 1cff h ASP 122 CO -0.20 -0.34 0.25 -0.33 -2.88 0.00 0.00 179.24 175.74 1cff h GLU 123 N -0.56 0.85 -0.76 0.28 4.39 -1.42 -0.94 114.58 116.42 1cff h GLU 123 Ca -0.06 -0.14 0.15 0.00 0.34 0.00 0.00 59.36 59.65 1cff h GLU 123 Cb 0.43 -0.14 -0.10 0.00 -0.10 0.00 0.00 28.75 28.83 1cff h GLU 123 CO 0.09 0.72 0.29 1.98 -1.16 0.00 0.00 179.01 180.93 1cff h MET 124 N 0.79 0.40 0.00 2.33 4.05 0.34 0.50 114.93 123.34 1cff h MET 124 Ca 0.20 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 1cff h MET 124 Cb 0.17 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1cff h MET 124 CO -0.02 0.27 -0.08 -0.89 0.23 0.00 0.00 176.91 176.41 1cff n ILE 125 N -5.03 0.54 -0.06 1.77 2.08 -0.33 -1.90 119.36 116.43 1cff n ILE 125 Ca 0.15 -0.27 -0.14 0.00 0.56 0.00 0.00 62.75 63.04 1cff n ILE 125 Cb 0.44 -0.52 -0.13 0.00 -0.75 0.00 0.00 39.64 38.68 1cff n ILE 125 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1cff h ARG 126 N 0.00 0.00 0.00 0.38 3.08 0.12 -1.32 114.38 116.65 1cff h ARG 126 Ca 0.00 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1cff h ARG 126 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1cff h ARG 126 CO 0.00 0.95 -0.37 0.93 -1.07 0.00 0.00 179.97 180.41 1cff h GLU 127 N -0.94 0.00 -0.20 0.04 4.39 -0.52 -2.32 114.58 115.04 1cff h GLU 127 Ca -0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 1cff h GLU 127 Cb 0.95 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1cff h GLU 127 CO 0.00 0.37 -0.49 0.00 -1.16 0.00 0.00 179.01 177.74 1cff h ALA 128 N 1.63 0.79 -2.22 3.43 0.00 -1.42 -3.42 119.26 118.04 1cff h ALA 128 Ca -0.00 -0.48 -0.55 0.00 0.00 0.00 0.00 54.91 53.88 1cff h ALA 128 Cb 0.67 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1cff h ALA 128 CO 0.05 0.67 1.27 0.34 0.00 0.00 0.00 179.25 181.58 1cff s ASP 129 N -6.89 6.22 0.00 0.00 -1.08 -0.50 -4.91 116.67 109.51 1cff s ASP 129 Ca -0.07 2.31 0.00 0.00 -0.52 0.00 0.00 52.55 54.27 1cff s ASP 129 Cb 0.12 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1cff s ASP 129 CO 0.83 -1.29 0.00 -0.38 0.52 0.00 0.00 175.17 174.85 1cff n ILE 130 N 6.19 0.00 -0.31 4.11 -0.00 -1.26 -4.43 119.36 123.66 1cff n ILE 130 Ca 0.22 0.43 0.16 0.00 -0.00 0.00 0.00 62.75 63.56 1cff n ILE 130 Cb 0.43 -1.36 0.34 0.00 -0.00 0.00 0.00 39.64 39.05 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 0.22 -2.25 4.38 3.04 -1.95 -3.46 116.42 116.40 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 0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.49 1cff h ASP 131 CO 0.00 -0.10 0.00 0.61 -2.04 0.00 0.00 179.24 177.71 1cff n GLY 132 N -1.35 0.60 0.09 7.15 0.00 -1.26 -5.02 105.19 105.40 1cff n GLY 132 Ca 0.24 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.00 0.38 0.00 1.61 9.92 -1.26 -4.98 116.55 121.22 1cff n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1cff n ASP 133 Cb 0.38 1.03 0.00 0.00 -0.64 0.00 0.00 41.12 41.89 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 1.81 0.90 0.00 0.44 0.00 -1.26 -5.10 105.19 101.98 1cff n GLY 134 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.18 -3.68 1.61 7.27 -1.26 -4.91 117.38 116.60 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 -0.16 0.00 2.41 0.00 0.00 30.24 32.49 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 1.33 0.47 -0.08 1.69 1.01 -1.26 -4.68 120.40 118.88 1cff s VAL 136 Ca 0.00 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 1cff s VAL 136 Cb 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1cff s VAL 136 CO 0.00 -0.51 0.61 0.21 0.00 0.00 0.00 175.10 175.40 1cff s ASN 137 N 1.85 6.87 0.44 3.32 3.84 -1.26 -2.54 114.94 127.46 1cff s ASN 137 Ca 0.06 1.05 0.38 0.00 0.21 0.00 0.00 52.86 54.55 1cff s ASN 137 Cb -0.17 -2.36 1.41 0.00 -0.55 0.00 0.00 41.25 39.58 1cff s ASN 137 CO -0.22 -0.05 1.33 0.00 -2.79 0.00 0.00 177.10 175.37 1cff n TYR 138 N 3.63 0.20 -0.23 0.43 9.36 -1.25 0.17 117.16 129.46 1cff n TYR 138 Ca -0.04 0.20 0.24 0.00 3.32 0.00 0.00 57.90 61.61 1cff n TYR 138 Cb 0.51 -0.62 0.60 0.00 -0.63 0.00 0.00 39.34 39.20 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 0.24 0.08 2.98 4.11 -1.94 0.93 114.58 120.99 1cff h GLU 139 Ca 0.79 -0.01 -0.29 0.00 0.07 0.00 0.00 59.36 59.91 1cff h GLU 139 Cb 2.97 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 32.15 1cff h GLU 139 CO -0.14 0.16 -1.49 0.93 0.07 0.00 0.00 179.01 178.55 1cff h GLU 140 N 0.25 0.17 0.90 1.06 5.08 0.13 -2.72 114.58 119.45 1cff h GLU 140 Ca 0.48 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1cff h GLU 140 Cb 1.45 0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.82 1cff h GLU 140 CO -0.13 1.01 -0.43 0.35 -1.00 0.00 0.00 179.01 178.81 1cff h PHE 141 N 0.05 -1.12 0.31 4.33 3.04 0.53 -2.10 116.94 121.96 1cff h PHE 141 Ca -0.22 -0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.69 1cff h PHE 141 Cb 1.98 0.37 0.00 0.00 2.56 0.00 0.00 35.95 40.86 1cff h PHE 141 CO 0.04 -0.69 -0.15 -0.39 -2.02 0.00 0.00 178.31 175.10 1cff h VAL 142 N -1.25 0.72 -1.11 1.41 -1.51 0.35 -2.81 116.25 112.05 1cff h VAL 142 Ca -0.12 -0.41 0.31 0.00 -1.23 0.00 0.00 66.70 65.24 1cff h VAL 142 Cb 0.93 0.94 -0.08 0.00 -2.13 0.00 0.00 31.29 30.95 1cff h VAL 142 CO 0.20 0.08 0.75 0.06 -1.23 0.00 0.00 177.57 177.44 1cff h GLN 143 N -0.64 0.21 -0.05 5.19 -0.00 -1.56 1.47 115.11 119.73 1cff h GLN 143 Ca -0.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 1cff h GLN 143 Cb 0.45 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.48 27.88 1cff h GLN 143 CO 0.07 0.14 -0.02 1.98 -0.00 0.00 0.00 178.83 181.00 1cff h MET 144 N 0.22 0.10 0.00 0.06 4.05 -1.18 -2.81 114.93 115.37 1cff h MET 144 Ca 0.60 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.97 1cff h MET 144 Cb 1.86 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.66 1cff h MET 144 CO -0.20 0.48 -0.18 0.52 0.23 0.00 0.00 176.91 177.77 1cff h MET 145 N -0.28 0.00 0.85 0.39 2.86 -0.57 -3.42 114.93 114.77 1cff h MET 145 Ca 0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1cff h MET 145 Cb 0.45 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.12 1cff h MET 145 CO 0.01 0.00 -0.41 1.79 1.06 0.00 0.00 176.91 179.36 1cff h THR 146 N -0.43 0.00 -5.26 2.22 1.35 0.17 -3.49 112.91 107.47 1cff h THR 146 Ca 0.00 -0.06 0.01 0.00 -0.55 0.00 0.00 66.41 65.80 1cff h THR 146 Cb 0.18 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 66.50 1cff h THR 146 CO 0.00 0.00 -1.27 0.00 -0.25 0.00 0.00 175.52 174.00 1cff n ALA 147 N -2.62 -3.17 1.55 6.62 0.00 -0.58 -4.95 120.51 117.37 1cff n ALA 147 Ca -0.14 1.85 0.14 0.00 0.00 0.00 0.00 53.44 55.29 1cff n ALA 147 Cb 0.45 -3.71 0.57 0.00 0.00 0.00 0.00 19.45 16.76 1cff n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86