#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 3.91 0.19 0.00 1.11 -1.26 -4.98 116.67 115.64 1cff s ASP 2 Ca 0.00 2.21 0.00 0.00 0.18 0.00 0.00 52.55 54.94 1cff s ASP 2 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1cff s ASP 2 CO 0.00 -2.45 0.00 0.00 1.18 0.00 0.00 175.17 173.90 1cff n GLN 3 N -3.27 0.00 -3.71 8.23 6.02 -1.26 -5.07 117.38 118.32 1cff n GLN 3 Ca 0.12 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.85 1cff n GLN 3 Cb 0.51 -0.19 -0.17 0.00 1.02 0.00 0.00 30.24 31.42 1cff n GLN 3 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1cff s LEU 4 N -6.77 0.82 0.34 1.08 0.20 -1.26 -5.13 118.68 107.96 1cff s LEU 4 Ca 0.00 -0.58 -0.28 0.00 0.69 0.00 0.00 54.13 53.95 1cff s LEU 4 Cb 0.00 -0.46 -0.10 0.00 -0.43 0.00 0.00 46.19 45.20 1cff s LEU 4 CO 0.00 -0.29 1.25 0.42 -0.29 0.00 0.00 176.35 177.43 1cff s THR 5 N 1.96 2.92 -0.53 3.68 -4.23 -1.26 -4.92 115.64 113.26 1cff s THR 5 Ca 0.01 0.90 0.23 0.00 -1.18 0.00 0.00 61.69 61.65 1cff s THR 5 Cb -0.16 -3.56 -0.07 0.00 1.34 0.00 0.00 72.50 70.06 1cff s THR 5 CO -0.07 0.19 1.07 1.21 -0.54 0.00 0.00 174.62 176.48 1cff n GLU 6 N 0.72 0.36 0.10 3.99 2.13 -1.26 -3.77 120.64 122.92 1cff n GLU 6 Ca 0.01 0.03 -0.05 0.00 0.66 0.00 0.00 57.16 57.81 1cff n GLU 6 Cb 0.43 -1.65 -0.02 0.00 0.27 0.00 0.00 31.44 30.47 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 -0.29 0.38 5.31 3.07 -1.99 -2.09 114.58 118.97 1cff h GLU 7 Ca 0.00 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1cff h GLU 7 Cb 0.79 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1cff h GLU 7 CO 0.00 -0.19 -0.18 1.96 -1.40 0.00 0.00 179.01 179.20 1cff h GLN 8 N -0.57 -0.49 -0.57 2.33 4.20 -2.00 -3.11 115.11 114.90 1cff h GLN 8 Ca -0.03 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.83 1cff h GLN 8 Cb 0.23 0.11 -0.10 0.00 0.30 0.00 0.00 27.48 28.02 1cff h GLN 8 CO 0.05 -0.23 -0.01 0.97 -0.67 0.00 0.00 178.83 178.94 1cff h ILE 9 N -0.69 0.53 -0.93 2.54 2.10 -1.74 0.00 117.51 119.32 1cff h ILE 9 Ca -0.05 -0.04 0.27 0.00 1.08 0.00 0.00 64.86 66.12 1cff h ILE 9 Cb 0.49 0.41 -0.16 0.00 -1.09 0.00 0.00 36.82 36.47 1cff h ILE 9 CO 0.09 0.02 0.17 0.00 -1.08 0.00 0.00 178.15 177.35 1cff h ALA 10 N 1.52 1.30 -0.40 0.18 0.00 -1.30 1.39 119.26 121.95 1cff h ALA 10 Ca 0.29 0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.53 1cff h ALA 10 Cb 0.46 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1cff h ALA 10 CO -0.50 -0.56 0.11 0.93 0.00 0.00 0.00 179.25 179.24 1cff h GLU 11 N 0.10 0.25 -0.41 0.00 4.39 -0.98 0.89 114.58 118.82 1cff h GLU 11 Ca 0.59 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.36 1cff h GLU 11 Cb 1.26 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 1cff h GLU 11 CO -0.77 0.17 0.28 0.35 -1.16 0.00 0.00 179.01 177.87 1cff h PHE 12 N 0.26 0.19 -0.08 4.33 3.57 0.19 0.84 116.94 126.23 1cff h PHE 12 Ca 0.19 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.57 1cff h PHE 12 Cb 0.20 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1cff h PHE 12 CO -0.17 0.10 -0.53 -0.22 -2.23 0.00 0.00 178.31 175.26 1cff h LYS 13 N 0.18 0.21 -1.00 1.11 3.64 0.35 -1.78 116.57 119.28 1cff h LYS 13 Ca 0.19 -0.13 0.21 0.00 -1.27 0.00 0.00 60.65 59.65 1cff h LYS 13 Cb 0.51 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.23 1cff h LYS 13 CO -0.03 0.69 0.61 1.05 -2.27 0.00 0.00 179.45 179.50 1cff h GLU 14 N 0.17 0.69 0.08 1.90 4.11 0.65 1.13 114.58 123.30 1cff h GLU 14 Ca 0.00 -0.04 -0.25 0.00 0.07 0.00 0.00 59.36 59.14 1cff h GLU 14 Cb 0.98 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1cff h GLU 14 CO 0.08 0.45 -1.12 0.00 0.07 0.00 0.00 179.01 178.49 1cff h ALA 15 N 1.66 0.22 -0.33 1.06 0.00 -1.31 -0.47 119.26 120.10 1cff h ALA 15 Ca 0.59 -0.85 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1cff h ALA 15 Cb 1.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1cff h ALA 15 CO -0.40 0.98 0.22 0.35 0.00 0.00 0.00 179.25 180.41 1cff h PHE 16 N 0.09 0.39 0.00 0.00 3.57 0.16 2.11 116.94 123.26 1cff h PHE 16 Ca -0.10 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 1cff h PHE 16 Cb 1.83 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.44 1cff h PHE 16 CO 0.05 0.24 -1.48 0.45 -2.23 0.00 0.00 178.31 175.34 1cff n SER 17 N -4.49 0.50 -0.09 0.41 2.88 0.31 -4.06 113.62 109.08 1cff n SER 17 Ca 0.02 0.20 -0.22 0.00 -1.33 0.00 0.00 58.87 57.53 1cff n SER 17 Cb 0.09 1.03 -0.12 0.00 -0.75 0.00 0.00 64.21 64.46 1cff n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1cff n LEU 18 N -2.54 1.98 0.12 2.46 4.77 -0.19 -3.52 117.00 120.07 1cff n LEU 18 Ca -0.04 0.39 0.20 0.00 -0.03 0.00 0.00 56.01 56.52 1cff n LEU 18 Cb 0.61 -0.98 0.72 0.00 -2.33 0.00 0.00 43.42 41.44 1cff n LEU 18 CO 0.43 0.37 1.17 0.15 -1.33 0.00 0.00 177.39 178.18 1cff h PHE 19 N -0.85 0.00 -0.00 -1.77 3.57 0.32 1.27 116.94 119.48 1cff h PHE 19 Ca -0.38 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1cff h PHE 19 Cb 1.43 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.17 1cff h PHE 19 CO 0.08 0.00 -0.09 -3.47 -2.23 0.00 0.00 178.31 172.61 1cff n ASP 20 N -3.50 0.11 -3.10 0.41 2.03 -1.26 -4.86 116.55 106.38 1cff n ASP 20 Ca 0.07 0.22 -0.15 0.00 0.52 0.00 0.00 54.79 55.45 1cff n ASP 20 Cb 0.65 -0.32 -0.02 0.00 -0.72 0.00 0.00 41.12 40.70 1cff n ASP 20 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1cff n LYS 21 N -1.43 -2.44 0.00 -0.67 -0.00 0.44 -4.56 118.16 109.49 1cff n LYS 21 Ca 0.08 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1cff n LYS 21 Cb 0.32 -4.71 0.00 0.00 -0.00 0.00 0.00 35.03 30.64 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 -1.87 0.00 -0.89 -5.58 5.68 -1.26 -5.08 116.55 107.55 1cff n ASP 22 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1cff n ASP 22 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 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 1.05 0.54 0.04 6.12 0.00 -1.23 -5.02 105.19 106.69 1cff n GLY 23 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.89 3.35 0.00 1.61 2.03 -1.26 -5.03 116.55 116.36 1cff n ASP 24 Ca 0.00 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1cff n ASP 24 Cb 0.41 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 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 2.90 0.96 3.17 0.27 0.00 -1.26 -5.08 105.19 106.15 1cff n GLY 25 Ca -0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.54 -0.60 2.61 -4.23 -1.26 -4.61 115.64 105.01 1cff s THR 26 Ca 0.00 0.20 -0.22 0.00 -1.18 0.00 0.00 61.69 60.49 1cff s THR 26 Cb 0.00 -0.58 0.06 0.00 1.34 0.00 0.00 72.50 73.32 1cff s THR 26 CO 0.00 0.09 0.88 -0.63 -0.54 0.00 0.00 174.62 174.41 1cff s ILE 27 N 2.48 4.48 0.50 2.99 -1.09 -0.96 -4.90 121.20 124.70 1cff s ILE 27 Ca -0.01 -0.25 0.07 0.00 -2.23 0.00 0.00 60.65 58.22 1cff s ILE 27 Cb -0.12 -4.56 0.02 0.00 -1.58 0.00 0.00 42.46 36.22 1cff s ILE 27 CO -0.11 -1.22 0.40 -0.89 -1.23 0.00 0.00 174.94 171.89 1cff s THR 28 N 3.67 2.02 0.55 2.92 2.01 -1.26 -2.49 115.64 123.06 1cff s THR 28 Ca 0.22 -1.44 0.27 0.00 0.31 0.00 0.00 61.69 61.06 1cff s THR 28 Cb -0.17 -2.46 0.40 0.00 0.01 0.00 0.00 72.50 70.28 1cff s THR 28 CO 0.13 0.00 1.98 0.71 -0.69 0.00 0.00 174.62 176.75 1cff h THR 29 N 0.85 0.62 0.38 -0.82 1.35 -1.95 0.12 112.91 113.46 1cff h THR 29 Ca -0.38 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.46 1cff h THR 29 Cb 1.29 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1cff h THR 29 CO 0.57 0.00 -0.23 0.50 -0.25 0.00 0.00 175.52 176.11 1cff h LYS 30 N 0.00 -0.55 0.45 4.72 1.63 -1.96 0.73 116.57 121.58 1cff h LYS 30 Ca 0.25 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1cff h LYS 30 Cb 1.06 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1cff h LYS 30 CO -0.00 -0.37 -0.21 0.93 -3.45 0.00 0.00 179.45 176.34 1cff h GLU 31 N -0.57 -0.58 -0.97 1.90 3.07 -1.76 -1.29 114.58 114.37 1cff h GLU 31 Ca -0.05 0.04 0.19 0.00 -0.50 0.00 0.00 59.36 59.04 1cff h GLU 31 Cb 0.46 0.13 -0.09 0.00 -0.84 0.00 0.00 28.75 28.41 1cff h GLU 31 CO 0.06 -0.28 0.61 1.25 -1.40 0.00 0.00 179.01 179.25 1cff h LEU 32 N -1.00 0.65 -0.77 1.33 5.85 -0.89 0.22 115.31 120.70 1cff h LEU 32 Ca -0.06 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 1cff h LEU 32 Cb 0.57 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1cff h LEU 32 CO 0.10 0.24 -0.48 1.23 -0.34 0.00 0.00 178.44 179.19 1cff h GLY 33 N 0.64 0.35 0.49 3.75 0.00 0.53 -1.71 103.07 107.13 1cff h GLY 33 Ca 0.54 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.51 1cff h GLY 33 CO -0.30 0.34 -0.29 -0.84 0.00 0.00 0.00 176.54 175.45 1cff h THR 34 N 0.26 0.38 -0.24 4.70 2.02 0.67 0.56 112.91 121.26 1cff h THR 34 Ca 0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 1cff h THR 34 Cb 0.95 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1cff h THR 34 CO 0.08 0.00 -0.37 0.58 0.37 0.00 0.00 175.52 176.18 1cff h VAL 35 N -0.50 1.29 0.00 3.16 2.07 -1.52 -0.59 116.25 120.16 1cff h VAL 35 Ca 0.03 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1cff h VAL 35 Cb 0.53 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1cff h VAL 35 CO -0.17 0.47 0.00 0.80 0.02 0.00 0.00 177.57 178.69 1cff n MET 36 N -4.05 0.08 -0.10 1.57 0.00 -0.64 -0.26 117.12 113.73 1cff n MET 36 Ca -0.01 0.27 -0.12 0.00 0.00 0.00 0.00 57.70 57.83 1cff n MET 36 Cb 0.49 -1.64 -0.12 0.00 0.00 0.00 0.00 33.22 31.95 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 -1.80 0.83 0.04 2.12 0.63 0.19 0.18 116.66 118.86 1cff n ARG 37 Ca 0.04 0.07 0.12 0.00 -0.92 0.00 0.00 57.85 57.15 1cff n ARG 37 Cb 0.23 -1.44 0.11 0.00 0.45 0.00 0.00 32.46 31.81 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 -2.92 0.64 0.06 6.15 7.64 -0.28 -4.19 113.62 120.72 1cff n SER 38 Ca -0.34 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1cff n SER 38 Cb 0.98 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 64.63 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 0.21 -3.43 7.99 0.64 -4.82 117.00 115.67 1cff n LEU 39 Ca 0.03 0.19 0.13 0.00 -0.01 0.00 0.00 56.01 56.35 1cff n LEU 39 Cb 0.43 0.11 0.68 0.00 -0.11 0.00 0.00 43.42 44.53 1cff n LEU 39 CO 0.38 -0.63 0.91 1.23 -1.51 0.00 0.00 177.39 177.77 1cff h GLY 40 N 0.00 0.00 -6.54 -0.72 0.00 -0.89 -3.43 103.07 91.50 1cff h GLY 40 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1cff h GLY 40 CO 0.00 0.00 1.87 0.61 0.00 0.00 0.00 176.54 179.02 1cff n GLN 41 N -2.42 0.00 0.08 4.80 10.64 0.48 -3.82 117.38 127.15 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 0.12 -0.99 0.00 0.00 -0.86 0.00 0.00 30.24 28.51 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 5.70 -1.51 -3.47 2.61 4.05 -1.26 -5.03 115.26 116.34 1cff n ASN 42 Ca 0.63 0.38 0.00 0.00 0.45 0.00 0.00 54.58 56.04 1cff n ASN 42 Cb 0.12 1.65 0.00 0.00 1.23 0.00 0.00 39.78 42.78 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 -2.82 2.26 -3.00 1.20 -0.02 -1.25 -5.00 135.00 126.36 1cff n PRO 43 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 1cff n PRO 43 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 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 4.51 0.20 3.45 -4.23 -1.26 -4.97 115.64 113.34 1cff s THR 44 Ca 0.00 1.31 -0.10 0.00 -1.18 0.00 0.00 61.69 61.72 1cff s THR 44 Cb 0.00 -3.75 0.15 0.00 1.34 0.00 0.00 72.50 70.23 1cff s THR 44 CO 0.00 -0.04 1.86 -0.33 -0.54 0.00 0.00 174.62 175.57 1cff h GLU 45 N 2.70 0.99 0.00 3.99 5.08 -1.99 -2.00 114.58 123.35 1cff h GLU 45 Ca -0.48 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 1cff h GLU 45 Cb 1.18 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1cff h GLU 45 CO 0.64 0.69 -0.04 0.00 -1.00 0.00 0.00 179.01 179.31 1cff h ALA 46 N 1.25 1.01 -1.22 3.43 0.00 -2.02 -3.26 119.26 118.44 1cff h ALA 46 Ca 0.27 -0.04 0.42 0.00 0.00 0.00 0.00 54.91 55.56 1cff h ALA 46 Cb -0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.58 1cff h ALA 46 CO -0.05 0.05 0.75 1.05 0.00 0.00 0.00 179.25 181.05 1cff h GLU 47 N 0.00 0.10 -0.85 0.00 -0.00 -1.75 1.37 114.58 113.46 1cff h GLU 47 Ca -0.00 -0.01 0.08 0.00 -0.00 0.00 0.00 59.36 59.44 1cff h GLU 47 Cb 0.59 -0.02 -0.07 0.00 -0.00 0.00 0.00 28.75 29.25 1cff h GLU 47 CO 0.01 0.07 0.51 1.37 -0.00 0.00 0.00 179.01 180.96 1cff h LEU 48 N 0.11 0.76 -1.29 3.06 8.10 -1.75 1.29 115.31 125.59 1cff h LEU 48 Ca 0.81 0.03 -0.05 0.00 0.11 0.00 0.00 57.88 58.79 1cff h LEU 48 Cb 2.38 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 42.47 1cff h LEU 48 CO -0.51 0.46 -0.03 -0.61 -4.11 0.00 0.00 178.44 173.63 1cff h GLN 49 N 0.88 0.44 -0.03 0.17 5.75 0.16 1.05 115.11 123.52 1cff h GLN 49 Ca 0.39 -0.09 -0.14 0.00 -0.15 0.00 0.00 58.65 58.66 1cff h GLN 49 Cb 0.29 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 1cff h GLN 49 CO -0.22 0.50 -0.64 0.22 -2.65 0.00 0.00 178.83 176.04 1cff h ASP 50 N 0.42 0.15 0.73 -0.69 1.82 0.43 0.10 116.42 119.38 1cff h ASP 50 Ca 0.09 -0.09 -0.24 0.00 -0.39 0.00 0.00 57.03 56.40 1cff h ASP 50 Cb 0.33 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 1cff h ASP 50 CO 0.01 0.75 -1.09 -0.03 -1.61 0.00 0.00 179.24 177.27 1cff h MET 51 N 0.09 0.18 -0.10 0.28 4.05 0.29 -0.89 114.93 118.83 1cff h MET 51 Ca -0.01 -0.28 -0.18 0.00 -0.28 0.00 0.00 59.70 58.96 1cff h MET 51 Cb 1.15 0.10 0.01 0.00 -0.80 0.00 0.00 31.60 32.05 1cff h MET 51 CO 0.09 1.10 -0.64 0.82 0.23 0.00 0.00 176.91 178.52 1cff h ILE 52 N 0.06 1.34 0.00 1.77 1.08 0.12 -3.14 117.51 118.74 1cff h ILE 52 Ca -0.08 -1.92 0.00 0.00 -0.39 0.00 0.00 64.86 62.47 1cff h ILE 52 Cb 1.81 2.18 0.00 0.00 -3.07 0.00 0.00 36.82 37.73 1cff h ILE 52 CO 0.17 0.59 -0.13 0.59 -0.69 0.00 0.00 178.15 178.68 1cff n ASN 53 N -4.11 0.20 -0.04 1.72 4.13 0.35 -3.36 115.26 114.14 1cff n ASN 53 Ca -0.08 0.33 -0.16 0.00 1.68 0.00 0.00 54.58 56.35 1cff n ASN 53 Cb 0.67 -0.34 -0.07 0.00 -1.54 0.00 0.00 39.78 38.50 1cff n ASN 53 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1cff h GLU 54 N 0.00 0.75 -0.66 3.52 4.81 -1.11 -3.18 114.58 118.71 1cff h GLU 54 Ca 0.00 -0.56 -0.25 0.00 -0.13 0.00 0.00 59.36 58.42 1cff h GLU 54 Cb 0.53 0.10 -0.15 0.00 0.63 0.00 0.00 28.75 29.86 1cff h GLU 54 CO 0.00 1.18 0.25 1.55 -0.73 0.00 0.00 179.01 181.26 1cff n VAL 55 N -4.05 2.85 -1.39 0.32 3.14 -1.22 -4.66 118.33 113.32 1cff n VAL 55 Ca -0.07 -1.94 -0.26 0.00 -2.96 0.00 0.00 64.34 59.11 1cff n VAL 55 Cb 0.67 -0.36 -0.03 0.00 -1.06 0.00 0.00 33.84 33.06 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 -0.59 6.58 -0.24 6.55 8.00 -1.20 -4.56 116.55 131.08 1cff n ASP 56 Ca 0.41 -3.24 0.05 0.00 0.71 0.00 0.00 54.79 52.72 1cff n ASP 56 Cb 1.32 -1.18 0.16 0.00 -0.02 0.00 0.00 41.12 41.41 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 2.66 0.85 0.00 2.24 0.00 -1.87 0.21 119.26 123.36 1cff h ALA 57 Ca 0.39 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.40 1cff h ALA 57 Cb 0.72 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1cff h ALA 57 CO 0.91 -0.37 -1.23 -0.40 0.00 0.00 0.00 179.25 178.16 1cff n ASP 58 N -5.22 0.85 -4.21 0.00 5.68 -1.26 -4.96 116.55 107.43 1cff n ASP 58 Ca 0.13 0.35 -0.36 0.00 -0.50 0.00 0.00 54.79 54.42 1cff n ASP 58 Cb 0.45 0.30 -0.08 0.00 -1.14 0.00 0.00 41.12 40.65 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 1.30 -0.29 0.26 6.12 0.00 0.74 -4.76 105.19 108.55 1cff n GLY 59 Ca -0.05 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.97 0.00 0.00 1.61 -1.07 -1.93 -3.45 115.58 109.78 1cff h ASN 60 Ca -0.55 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.82 1cff h ASN 60 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 1cff h ASN 60 CO 0.76 0.12 0.00 0.61 0.07 0.00 0.00 177.43 179.00 1cff n GLY 61 N -0.77 1.18 1.28 9.14 0.00 -1.26 -5.15 105.19 109.61 1cff n GLY 61 Ca -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.96 2.61 -2.24 -1.26 -5.09 114.28 106.34 1cff n THR 62 Ca 0.00 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 1cff n THR 62 Cb 0.00 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 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 -2.68 3.25 0.15 2.28 -1.09 -1.04 -4.87 121.20 117.21 1cff s ILE 63 Ca 0.06 0.57 0.09 0.00 -2.23 0.00 0.00 60.65 59.13 1cff s ILE 63 Cb -0.02 -3.36 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 1cff s ILE 63 CO 0.04 -0.02 -0.19 -0.62 -1.23 0.00 0.00 174.94 172.92 1cff s ASP 64 N 2.80 2.69 0.22 3.58 -1.08 -1.26 -2.26 116.67 121.37 1cff s ASP 64 Ca 0.74 -0.82 -0.10 0.00 -0.52 0.00 0.00 52.55 51.84 1cff s ASP 64 Cb -0.37 -0.16 0.31 0.00 -1.46 0.00 0.00 42.92 41.24 1cff s ASP 64 CO 0.32 -0.01 1.32 0.33 0.52 0.00 0.00 175.17 177.65 1cff n PHE 65 N 0.46 0.18 0.37 -5.34 7.35 -1.26 -1.21 117.46 118.02 1cff n PHE 65 Ca -0.14 1.04 -0.15 0.00 -0.76 0.00 0.00 57.45 57.44 1cff n PHE 65 Cb 0.56 -0.92 -0.07 0.00 0.35 0.00 0.00 39.48 39.40 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 -0.94 -0.67 -7.13 0.13 -1.97 0.56 132.00 121.98 1cff h PRO 66 Ca 0.36 0.06 0.11 0.00 -0.87 0.00 0.00 66.00 65.67 1cff h PRO 66 Cb 0.57 0.21 -0.08 0.00 0.13 0.00 0.00 31.00 31.83 1cff h PRO 66 CO -0.86 -0.63 0.25 1.05 -0.23 0.00 0.00 178.00 177.58 1cff h GLU 67 N -1.22 0.41 -0.49 0.86 4.11 -1.75 0.87 114.58 117.37 1cff h GLU 67 Ca -0.10 -0.02 -0.10 0.00 0.07 0.00 0.00 59.36 59.20 1cff h GLU 67 Cb 0.75 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1cff h GLU 67 CO 0.16 0.27 -0.11 0.35 0.07 0.00 0.00 179.01 179.75 1cff h PHE 68 N 0.42 1.00 0.47 2.06 3.04 -1.22 -2.75 116.94 119.96 1cff h PHE 68 Ca 0.35 -0.20 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1cff h PHE 68 Cb 0.47 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1cff h PHE 68 CO -0.17 0.96 -0.23 1.25 -2.02 0.00 0.00 178.31 178.10 1cff h LEU 69 N 0.81 -0.54 -0.27 0.59 5.85 0.96 -2.89 115.31 119.82 1cff h LEU 69 Ca 0.13 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1cff h LEU 69 Cb 0.64 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 1cff h LEU 69 CO 0.04 -0.18 -0.48 0.71 -0.34 0.00 0.00 178.44 178.20 1cff h THR 70 N -0.94 0.00 -0.77 1.05 1.35 0.67 1.30 112.91 115.57 1cff h THR 70 Ca -0.06 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 65.98 1cff h THR 70 Cb 0.59 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.88 1cff h THR 70 CO 0.11 0.00 0.08 0.24 -0.25 0.00 0.00 175.52 175.70 1cff h MET 71 N -0.40 0.15 0.00 4.72 2.86 -1.58 0.55 114.93 121.23 1cff h MET 71 Ca 0.05 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1cff h MET 71 Cb 0.54 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1cff h MET 71 CO -0.46 0.10 -0.00 0.52 1.06 0.00 0.00 176.91 178.12 1cff h MET 72 N 0.15 0.00 0.00 1.72 2.07 -1.05 -3.37 114.93 114.46 1cff h MET 72 Ca 0.44 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.07 1cff h MET 72 Cb 0.80 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.53 1cff h MET 72 CO -0.63 0.00 -0.11 0.00 1.07 0.00 0.00 176.91 177.24 1cff h ALA 73 N 2.27 0.00 -2.42 6.32 0.00 0.64 -3.48 119.26 122.59 1cff h ALA 73 Ca 0.00 -0.14 -0.46 0.00 0.00 0.00 0.00 54.91 54.30 1cff h ALA 73 Cb 0.86 0.11 0.10 0.00 0.00 0.00 0.00 17.79 18.87 1cff h ALA 73 CO 0.00 0.11 0.36 -0.98 0.00 0.00 0.00 179.25 178.74 1cff s ARG 74 N -1.49 1.82 -0.77 0.00 1.70 0.10 -4.57 118.95 115.74 1cff s ARG 74 Ca -0.03 -0.09 -0.00 0.00 -0.47 0.00 0.00 55.73 55.13 1cff s ARG 74 Cb 0.00 -2.00 -0.00 0.00 -0.57 0.00 0.00 34.95 32.38 1cff s ARG 74 CO 0.05 -1.62 0.68 1.63 -1.08 0.00 0.00 175.30 174.96 1cff n LYS 75 N -3.27 -1.39 -2.40 3.89 4.76 -1.26 -4.77 118.16 113.72 1cff n LYS 75 Ca 0.09 1.30 -0.02 0.00 -2.87 0.00 0.00 58.31 56.81 1cff n LYS 75 Cb 0.61 -4.92 0.10 0.00 -1.84 0.00 0.00 35.03 28.98 1cff n LYS 75 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 1cff n MET 76 N -2.03 1.06 -1.86 1.97 1.56 -1.26 -4.97 117.12 111.59 1cff n MET 76 Ca -0.08 -0.95 -0.13 0.00 -0.27 0.00 0.00 57.70 56.28 1cff n MET 76 Cb 0.55 0.34 -0.03 0.00 2.15 0.00 0.00 33.22 36.23 1cff n MET 76 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1cff n LYS 77 N -1.21 -0.96 0.00 2.12 3.00 -1.26 -4.35 118.16 115.51 1cff n LYS 77 Ca -0.14 0.76 0.00 0.00 -0.00 0.00 0.00 58.31 58.93 1cff n LYS 77 Cb 0.80 -4.89 0.00 0.00 0.00 0.00 0.00 35.03 30.93 1cff n LYS 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1cff n ASP 78 N -0.26 0.00 -3.15 3.14 8.00 -1.26 -4.10 116.55 118.92 1cff n ASP 78 Ca -0.14 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.40 1cff n ASP 78 Cb 0.53 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1cff n ASP 78 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1cff s THR 79 N 0.00 -0.87 -0.04 -3.53 -4.23 -1.26 -5.04 115.64 100.68 1cff s THR 79 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1cff s THR 79 Cb 0.00 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.93 1cff s THR 79 CO 0.00 0.00 -0.11 1.51 -0.54 0.00 0.00 174.62 175.48 1cff s ASP 80 N 2.86 1.48 0.00 3.99 -4.77 -1.26 -5.15 116.67 113.82 1cff s ASP 80 Ca 0.15 -0.23 0.00 0.00 -3.30 0.00 0.00 52.55 49.16 1cff s ASP 80 Cb -0.11 -0.46 0.00 0.00 -1.09 0.00 0.00 42.92 41.26 1cff s ASP 80 CO -0.23 0.07 0.00 -1.20 0.70 0.00 0.00 175.17 174.51 1cff n SER 81 N 3.38 0.00 0.00 2.11 7.64 -1.26 -4.68 113.62 120.80 1cff n SER 81 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1cff n SER 81 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1cff n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1cff n GLU 82 N 0.00 0.00 0.00 1.43 2.13 -1.26 -4.88 120.64 118.07 1cff n GLU 82 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1cff n GLU 82 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1cff n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1cff n GLU 83 N 0.00 0.00 -3.50 5.31 2.13 -1.26 -4.64 120.64 118.68 1cff n GLU 83 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 1cff n GLU 83 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1cff n GLU 83 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1cff s GLU 84 N 0.00 3.52 -1.29 5.31 2.02 -1.26 -4.01 118.70 122.99 1cff s GLU 84 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1cff s GLU 84 Cb 0.00 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.51 1cff s GLU 84 CO 0.00 0.25 0.00 -0.89 0.02 0.00 0.00 175.26 174.64 1cff n ILE 85 N -1.30 0.00 0.20 -1.63 2.08 -1.26 -4.81 119.36 112.63 1cff n ILE 85 Ca -0.04 0.00 0.09 0.00 0.56 0.00 0.00 62.75 63.36 1cff n ILE 85 Cb 0.55 -1.49 0.14 0.00 -0.75 0.00 0.00 39.64 38.09 1cff n ILE 85 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1cff h ARG 86 N 0.04 0.00 0.02 0.38 2.43 -1.85 -1.25 114.38 114.16 1cff h ARG 86 Ca -0.25 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.79 1cff h ARG 86 Cb 1.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1cff h ARG 86 CO 0.36 0.15 -0.71 0.93 -1.51 0.00 0.00 179.97 179.19 1cff h GLU 87 N 0.00 0.05 -0.04 0.20 5.08 -1.87 -2.39 114.58 115.61 1cff h GLU 87 Ca -0.00 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1cff h GLU 87 Cb 1.10 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1cff h GLU 87 CO 0.02 1.04 0.00 0.00 -1.00 0.00 0.00 179.01 179.07 1cff h ALA 88 N -0.19 1.94 -0.51 3.43 0.00 -1.96 1.11 119.26 123.09 1cff h ALA 88 Ca -0.18 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1cff h ALA 88 Cb 1.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1cff h ALA 88 CO -0.06 0.05 -0.17 0.35 0.00 0.00 0.00 179.25 179.41 1cff h PHE 89 N 0.05 1.15 0.00 0.00 3.04 -1.27 -0.54 116.94 119.36 1cff h PHE 89 Ca 0.01 -0.26 -0.18 0.00 3.98 0.00 0.00 57.97 61.52 1cff h PHE 89 Cb 0.03 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.24 1cff h PHE 89 CO 0.00 1.09 -0.87 -0.09 -2.02 0.00 0.00 178.31 176.42 1cff h ARG 90 N 0.87 0.00 -0.50 1.11 1.12 -0.51 -1.38 114.38 115.10 1cff h ARG 90 Ca 0.12 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.94 1cff h ARG 90 Cb 0.75 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.68 1cff h ARG 90 CO 0.06 0.87 0.08 0.28 -3.11 0.00 0.00 179.97 178.15 1cff h VAL 91 N 0.00 1.23 -0.00 0.20 2.07 0.15 -2.65 116.25 117.24 1cff h VAL 91 Ca -0.01 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1cff h VAL 91 Cb 1.67 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1cff h VAL 91 CO 0.11 0.31 -0.69 0.49 0.02 0.00 0.00 177.57 177.81 1cff n PHE 92 N -4.26 0.00 0.70 1.57 3.72 -0.24 -4.13 117.46 114.83 1cff n PHE 92 Ca 0.03 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.56 1cff n PHE 92 Cb 0.25 -0.10 0.42 0.00 -0.94 0.00 0.00 39.48 39.11 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 -1.23 0.64 -2.22 4.37 -0.08 -0.52 -4.63 116.55 112.88 1cff n ASP 93 Ca 0.06 0.50 -0.08 0.00 -1.51 0.00 0.00 54.79 53.76 1cff n ASP 93 Cb 0.35 -0.62 -0.01 0.00 2.34 0.00 0.00 41.12 43.18 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 -2.08 -1.86 0.00 -0.67 0.00 -1.20 -3.17 118.16 109.18 1cff n LYS 94 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1cff n LYS 94 Cb 0.41 -2.87 0.00 0.00 0.00 0.00 0.00 35.03 32.57 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 -1.03 0.00 0.00 3.14 5.68 -1.26 -4.94 116.55 118.13 1cff n ASP 95 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 1cff n ASP 95 Cb 0.31 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 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 0.00 -0.18 0.85 6.12 0.00 -1.19 -5.10 105.19 105.69 1cff n GLY 96 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 1.04 0.00 1.61 5.03 -1.26 -5.06 115.26 116.62 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 2.98 1.01 3.42 7.41 0.00 -1.26 -5.13 105.19 113.61 1cff n GLY 98 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1cff n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cff s TYR 99 N -0.44 2.34 -0.64 1.61 2.02 -1.26 -3.62 117.35 117.34 1cff s TYR 99 Ca 0.00 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 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 0.40 0.44 0.42 -1.57 0.00 0.00 175.55 175.24 1cff s ILE 100 N -1.29 3.29 0.09 2.71 1.01 -1.06 -4.90 121.20 121.04 1cff s ILE 100 Ca 0.17 -3.46 -0.33 0.00 0.00 0.00 0.00 60.65 57.04 1cff s ILE 100 Cb -0.09 -3.16 -0.15 0.00 0.01 0.00 0.00 42.46 39.06 1cff s ILE 100 CO 0.08 -0.91 1.60 -1.28 0.00 0.00 0.00 174.94 174.44 1cff h SER 101 N 6.41 -1.00 0.00 3.58 0.87 -1.94 -3.39 113.55 118.08 1cff h SER 101 Ca 0.02 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1cff h SER 101 Cb 0.88 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1cff h SER 101 CO 0.73 -0.56 0.00 0.00 -0.53 0.00 0.00 176.83 176.47 1cff n ALA 102 N -2.65 0.00 -0.16 6.23 0.00 -1.26 -4.78 120.51 117.89 1cff n ALA 102 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.25 1cff n ALA 102 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.20 0.17 0.00 0.00 -1.97 1.31 119.26 118.57 1cff h ALA 103 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1cff h ALA 103 Cb 0.00 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1cff h ALA 103 CO 0.00 -0.75 -0.34 0.93 0.00 0.00 0.00 179.25 179.09 1cff h GLU 104 N -0.23 -0.53 -0.56 0.00 5.08 -1.91 0.54 114.58 116.96 1cff h GLU 104 Ca 0.19 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.65 1cff h GLU 104 Cb 0.55 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.83 1cff h GLU 104 CO -0.61 -0.35 -0.55 -0.07 -1.00 0.00 0.00 179.01 176.43 1cff h LEU 105 N -0.55 -1.88 -0.33 1.33 3.38 -1.60 0.83 115.31 116.49 1cff h LEU 105 Ca -0.02 0.26 0.07 0.00 0.09 0.00 0.00 57.88 58.29 1cff h LEU 105 Cb 0.52 0.80 -0.08 0.00 0.09 0.00 0.00 40.66 41.99 1cff h LEU 105 CO -0.13 -0.36 -0.29 -0.09 0.09 0.00 0.00 178.44 177.66 1cff h ARG 106 N -0.29 -0.25 0.46 1.13 9.65 0.20 1.42 114.38 126.70 1cff h ARG 106 Ca 0.11 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.98 1cff h ARG 106 Cb 0.55 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1cff h ARG 106 CO -0.69 -0.17 -0.22 1.25 2.80 0.00 0.00 179.97 182.94 1cff h HIS 107 N -0.26 -0.58 -0.06 2.20 2.76 0.12 -2.43 115.15 116.91 1cff h HIS 107 Ca 0.16 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 1cff h HIS 107 Cb 0.51 0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1cff h HIS 107 CO -0.48 -0.26 -0.23 -0.39 -1.30 0.00 0.00 177.93 175.27 1cff h VAL 108 N -1.02 1.44 0.00 5.26 -1.51 0.70 -2.66 116.25 118.47 1cff h VAL 108 Ca -0.06 -1.65 -0.02 0.00 -1.23 0.00 0.00 66.70 63.74 1cff h VAL 108 Cb 0.58 2.36 -0.00 0.00 -2.13 0.00 0.00 31.29 32.09 1cff h VAL 108 CO 0.10 0.46 -0.09 -0.03 -1.23 0.00 0.00 177.57 176.79 1cff h MET 109 N -0.27 0.00 0.00 5.19 -1.53 0.19 0.59 114.93 119.09 1cff h MET 109 Ca -0.01 0.00 -0.24 0.00 -3.44 0.00 0.00 59.70 56.01 1cff h MET 109 Cb 0.87 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.88 1cff h MET 109 CO 0.05 0.09 -1.33 1.15 0.14 0.00 0.00 176.91 177.01 1cff h THR 110 N 0.00 1.15 0.11 -0.77 2.02 -1.35 -2.92 112.91 111.15 1cff h THR 110 Ca -0.00 -2.88 -0.29 0.00 0.77 0.00 0.00 66.41 64.01 1cff h THR 110 Cb 0.50 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 1cff h THR 110 CO 0.01 0.65 -1.43 0.78 0.37 0.00 0.00 175.52 175.90 1cff h ASN 111 N 0.00 0.35 -0.91 4.18 2.35 -1.09 -3.31 115.58 117.14 1cff h ASN 111 Ca -0.15 -0.45 0.18 0.00 -0.55 0.00 0.00 56.30 55.33 1cff h ASN 111 Cb 1.84 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 40.02 1cff h ASN 111 CO 0.09 1.37 0.59 0.25 -1.65 0.00 0.00 177.43 178.09 1cff h LEU 112 N 0.06 0.54 0.00 1.61 5.85 0.06 -3.44 115.31 119.99 1cff h LEU 112 Ca -0.20 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1cff h LEU 112 Cb 1.99 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.97 1cff h LEU 112 CO 0.17 0.23 0.00 0.61 -0.34 0.00 0.00 178.44 179.11 1cff n GLY 113 N -1.46 0.82 3.87 3.75 0.00 -1.25 -5.09 105.19 105.83 1cff n GLY 113 Ca 0.19 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1cff n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cff s GLU 114 N 0.00 0.93 -0.24 1.61 0.41 -1.10 -5.01 118.70 115.29 1cff s GLU 114 Ca 0.00 -0.13 0.12 0.00 -0.41 0.00 0.00 54.97 54.55 1cff s GLU 114 Cb 0.00 -1.85 0.45 0.00 -1.78 0.00 0.00 34.13 30.95 1cff s GLU 114 CO 0.00 -2.26 1.18 0.36 -0.49 0.00 0.00 175.26 174.05 1cff n LYS 115 N -3.73 2.57 -1.54 1.61 2.85 -1.26 -4.10 118.16 114.56 1cff n LYS 115 Ca 0.12 -3.70 -0.22 0.00 -1.05 0.00 0.00 58.31 53.45 1cff n LYS 115 Cb 0.60 -1.86 -0.09 0.00 -0.65 0.00 0.00 35.03 33.03 1cff n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1cff n LEU 116 N -0.72 1.35 -4.36 -5.58 4.77 -1.26 -4.91 117.00 106.30 1cff n LEU 116 Ca 0.30 -0.98 -0.30 0.00 -0.03 0.00 0.00 56.01 55.00 1cff n LEU 116 Cb 0.89 -1.42 0.28 0.00 -2.33 0.00 0.00 43.42 40.83 1cff n LEU 116 CO 0.21 -2.05 0.45 0.42 -1.33 0.00 0.00 177.39 175.09 1cff s THR 117 N 11.59 1.32 0.59 -5.08 -4.23 -1.26 -4.22 115.64 114.34 1cff s THR 117 Ca 1.03 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.83 1cff s THR 117 Cb -0.33 -2.13 0.36 0.00 1.34 0.00 0.00 72.50 71.73 1cff s THR 117 CO 0.23 0.00 2.10 -0.78 -0.54 0.00 0.00 174.62 175.63 1cff h ASP 118 N -3.25 0.00 0.14 3.99 1.82 -1.98 0.13 116.42 117.27 1cff h ASP 118 Ca -0.45 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 55.98 1cff h ASP 118 Cb 1.33 0.00 0.02 0.00 0.68 0.00 0.00 39.33 41.36 1cff h ASP 118 CO 0.31 0.00 -0.95 -0.33 -1.61 0.00 0.00 179.24 176.66 1cff h GLU 119 N 0.00 0.29 0.05 0.28 5.08 -1.98 -2.78 114.58 115.53 1cff h GLU 119 Ca 0.09 -0.49 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1cff h GLU 119 Cb 0.50 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1cff h GLU 119 CO -0.00 1.24 -0.02 0.93 -1.00 0.00 0.00 179.01 180.15 1cff h GLU 120 N -0.36 -0.07 -0.82 2.33 4.39 -1.48 -2.74 114.58 115.83 1cff h GLU 120 Ca -0.18 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 1cff h GLU 120 Cb 1.67 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.30 1cff h GLU 120 CO 0.13 0.10 0.37 -0.24 -1.16 0.00 0.00 179.01 178.21 1cff h VAL 121 N -0.22 1.26 -0.02 3.13 3.04 -0.95 0.33 116.25 122.81 1cff h VAL 121 Ca -0.01 -0.76 0.03 0.00 -1.01 0.00 0.00 66.70 64.96 1cff h VAL 121 Cb 0.19 0.23 -0.05 0.00 -2.01 0.00 0.00 31.29 29.66 1cff h VAL 121 CO 0.01 0.32 -0.31 -0.78 -1.01 0.00 0.00 177.57 175.81 1cff h ASP 122 N 1.18 -0.92 1.12 3.17 3.58 -1.38 -1.17 116.42 121.99 1cff h ASP 122 Ca 0.28 0.12 -0.09 0.00 0.42 0.00 0.00 57.03 57.76 1cff h ASP 122 Cb 0.15 0.37 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 1cff h ASP 122 CO -0.03 -0.37 -0.42 -0.33 -2.88 0.00 0.00 179.24 175.21 1cff h GLU 123 N -0.44 0.00 -0.31 0.28 5.08 -1.37 -2.54 114.58 115.28 1cff h GLU 123 Ca 0.07 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1cff h GLU 123 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1cff h GLU 123 CO -0.27 0.42 0.16 1.98 -1.00 0.00 0.00 179.01 180.30 1cff h MET 124 N 0.00 0.33 0.00 2.33 4.05 0.57 0.38 114.93 122.59 1cff h MET 124 Ca -0.00 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1cff h MET 124 Cb 1.09 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 1cff h MET 124 CO 0.05 0.22 -0.43 0.82 0.23 0.00 0.00 176.91 177.80 1cff h ILE 125 N 0.34 0.34 -0.20 1.77 1.08 -1.28 -2.31 117.51 117.26 1cff h ILE 125 Ca 0.13 -1.51 -0.14 0.00 -0.39 0.00 0.00 64.86 62.95 1cff h ILE 125 Cb 0.03 2.08 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 1cff h ILE 125 CO -0.08 0.19 -0.41 0.03 -0.69 0.00 0.00 178.15 177.20 1cff h ARG 126 N 0.00 0.62 -0.08 2.37 3.08 -0.99 0.50 114.38 119.88 1cff h ARG 126 Ca -0.02 -0.41 -0.13 0.00 0.07 0.00 0.00 59.98 59.50 1cff h ARG 126 Cb 1.18 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1cff h ARG 126 CO 0.03 1.03 -0.52 0.93 -1.07 0.00 0.00 179.97 180.36 1cff h GLU 127 N 0.30 0.22 -0.17 0.04 5.08 -0.31 -2.91 114.58 116.85 1cff h GLU 127 Ca 0.00 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.04 1cff h GLU 127 Cb 1.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1cff h GLU 127 CO 0.09 0.69 -0.68 0.00 -1.00 0.00 0.00 179.01 178.12 1cff h ALA 128 N 1.28 0.49 -1.37 3.43 0.00 -1.25 -3.42 119.26 118.42 1cff h ALA 128 Ca 0.00 -0.57 -0.51 0.00 0.00 0.00 0.00 54.91 53.84 1cff h ALA 128 Cb 0.98 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1cff h ALA 128 CO 0.08 0.70 1.61 -3.47 0.00 0.00 0.00 179.25 178.18 1cff n ASP 129 N -3.93 2.13 -0.00 0.00 2.03 0.17 -4.80 116.55 112.16 1cff n ASP 129 Ca -0.05 -0.22 -0.00 0.00 0.52 0.00 0.00 54.79 55.04 1cff n ASP 129 Cb 0.69 -1.45 -0.00 0.00 -0.72 0.00 0.00 41.12 39.64 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 7.81 0.08 -0.33 5.18 -0.00 -1.26 -4.53 119.36 126.31 1cff n ILE 130 Ca 0.41 0.48 0.23 0.00 -0.00 0.00 0.00 62.75 63.87 1cff n ILE 130 Cb 0.42 -1.55 0.45 0.00 -0.00 0.00 0.00 39.64 38.97 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 -0.05 0.40 -2.06 4.38 3.04 -1.95 -3.46 116.42 116.72 1cff h ASP 131 Ca 0.00 0.20 0.00 0.00 -3.24 0.00 0.00 57.03 53.99 1cff h ASP 131 Cb 0.04 0.18 0.00 0.00 -1.04 0.00 0.00 39.33 38.51 1cff h ASP 131 CO 0.00 -0.17 0.00 0.61 -2.04 0.00 0.00 179.24 177.64 1cff n GLY 132 N -1.31 0.79 0.04 7.15 0.00 -1.26 -5.01 105.19 105.59 1cff n GLY 132 Ca 0.31 -0.44 0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.98 0.23 0.00 1.61 8.00 -1.26 -4.95 116.55 119.20 1cff n ASP 133 Ca 0.00 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1cff n ASP 133 Cb 0.34 1.50 0.00 0.00 -0.02 0.00 0.00 41.12 42.94 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 1.28 0.72 0.00 0.44 0.00 -1.26 -5.06 105.19 101.31 1cff n GLY 134 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1cff n GLY 134 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cff n GLN 135 N 0.00 0.00 -3.58 1.61 7.27 -1.26 -5.07 117.38 116.36 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 0.54 0.07 0.00 0.00 177.06 177.67 1cff s VAL 136 N 0.96 0.06 0.14 1.69 0.11 -1.26 -4.46 120.40 117.64 1cff s VAL 136 Ca 0.00 -0.78 -0.16 0.00 -2.93 0.00 0.00 61.98 58.11 1cff s VAL 136 Cb 0.00 -1.03 -0.07 0.00 -1.53 0.00 0.00 36.38 33.75 1cff s VAL 136 CO 0.00 -0.67 0.58 0.21 -3.33 0.00 0.00 175.10 171.89 1cff s ASN 137 N 2.04 6.92 0.59 3.54 2.47 -1.26 -2.58 114.94 126.66 1cff s ASN 137 Ca 0.08 1.18 0.32 0.00 0.42 0.00 0.00 52.86 54.85 1cff s ASN 137 Cb -0.16 -2.33 1.23 0.00 -1.45 0.00 0.00 41.25 38.55 1cff s ASN 137 CO -0.32 0.14 1.53 0.22 -3.72 0.00 0.00 177.10 174.95 1cff h TYR 138 N 3.79 0.00 -0.50 0.43 3.20 -1.99 0.62 116.97 122.52 1cff h TYR 138 Ca -0.49 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.48 1cff h TYR 138 Cb 1.20 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.37 1cff h TYR 138 CO 0.66 0.00 -0.29 0.93 -1.64 0.00 0.00 178.16 177.81 1cff h GLU 139 N 0.00 -0.17 -0.08 1.82 4.39 -1.92 0.42 114.58 119.04 1cff h GLU 139 Ca 0.50 0.01 -0.17 0.00 0.34 0.00 0.00 59.36 60.04 1cff h GLU 139 Cb 2.58 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 31.26 1cff h GLU 139 CO -0.01 -0.11 -0.68 0.93 -1.16 0.00 0.00 179.01 177.98 1cff h GLU 140 N -0.17 0.35 -0.15 2.33 5.08 -1.27 -0.79 114.58 119.95 1cff h GLU 140 Ca 0.22 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1cff h GLU 140 Cb 0.52 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1cff h GLU 140 CO -0.60 0.90 -0.20 0.35 -1.00 0.00 0.00 179.01 178.46 1cff h PHE 141 N 0.24 -0.51 -0.00 4.33 3.57 -0.68 0.47 116.94 124.37 1cff h PHE 141 Ca -0.02 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.33 1cff h PHE 141 Cb 1.23 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 40.20 1cff h PHE 141 CO 0.04 -0.27 -0.82 -0.39 -2.23 0.00 0.00 178.31 174.64 1cff h VAL 142 N -0.24 1.51 -0.76 1.41 -1.51 -0.30 -2.87 116.25 113.49 1cff h VAL 142 Ca 0.11 -2.58 -0.05 0.00 -1.23 0.00 0.00 66.70 62.94 1cff h VAL 142 Cb 0.39 2.41 -0.03 0.00 -2.13 0.00 0.00 31.29 31.94 1cff h VAL 142 CO -0.29 0.75 0.28 1.56 -1.23 0.00 0.00 177.57 178.63 1cff h GLN 143 N 0.07 1.15 -0.31 5.19 4.20 -0.39 1.73 115.11 126.76 1cff h GLN 143 Ca -0.03 -0.22 -0.13 0.00 0.06 0.00 0.00 58.65 58.33 1cff h GLN 143 Cb 1.42 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 1cff h GLN 143 CO 0.12 0.95 -0.33 0.52 -0.67 0.00 0.00 178.83 179.42 1cff h MET 144 N 1.11 0.77 0.00 1.46 2.86 -0.08 -1.58 114.93 119.47 1cff h MET 144 Ca 0.25 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1cff h MET 144 Cb 0.25 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1cff h MET 144 CO -0.02 1.04 -0.28 1.98 1.06 0.00 0.00 176.91 180.69 1cff h MET 145 N 0.53 0.00 -0.02 1.72 1.85 -1.34 -3.42 114.93 114.26 1cff h MET 145 Ca 0.05 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.12 1cff h MET 145 Cb 0.91 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.94 1cff h MET 145 CO 0.08 0.00 -0.05 1.79 -0.40 0.00 0.00 176.91 178.33 1cff h THR 146 N -0.63 1.49 -4.90 -0.77 1.35 0.17 -3.48 112.91 106.14 1cff h THR 146 Ca 0.00 -1.51 -0.31 0.00 -0.55 0.00 0.00 66.41 64.04 1cff h THR 146 Cb 0.28 2.46 0.12 0.00 -1.73 0.00 0.00 68.15 69.28 1cff h THR 146 CO 0.00 0.40 -0.56 0.00 -0.25 0.00 0.00 175.52 175.11 1cff n ALA 147 N -2.43 -1.20 -1.47 6.62 0.00 0.43 -4.94 120.51 117.54 1cff n ALA 147 Ca -0.09 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1cff n ALA 147 Cb 0.34 -3.92 0.00 0.00 0.00 0.00 0.00 19.45 15.88 1cff n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13