#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 6.47 0.29 0.00 2.15 -1.26 -5.09 116.67 119.23 1cff s ASP 2 Ca 0.00 1.16 0.07 0.00 0.43 0.00 0.00 52.55 54.22 1cff s ASP 2 Cb 0.00 -2.34 -0.03 0.00 -0.30 0.00 0.00 42.92 40.25 1cff s ASP 2 CO 0.00 -0.48 0.26 -1.10 -0.17 0.00 0.00 175.17 173.68 1cff s GLN 3 N -4.11 2.85 0.15 4.34 -0.21 -1.26 -5.14 119.66 116.29 1cff s GLN 3 Ca 0.52 -1.16 -0.08 0.00 0.02 0.00 0.00 55.36 54.66 1cff s GLN 3 Cb -0.10 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.35 1cff s GLN 3 CO 0.35 0.24 0.24 -0.48 -2.12 0.00 0.00 175.29 173.52 1cff s LEU 4 N -3.93 1.14 0.39 2.90 -0.00 -1.26 -5.14 118.68 112.78 1cff s LEU 4 Ca 0.37 -0.89 -0.27 0.00 -0.00 0.00 0.00 54.13 53.34 1cff s LEU 4 Cb -0.07 1.05 -0.11 0.00 -0.00 0.00 0.00 46.19 47.06 1cff s LEU 4 CO 0.26 -0.85 1.39 0.35 -0.00 0.00 0.00 176.35 177.51 1cff n THR 5 N -0.18 2.25 0.12 5.48 -2.24 -1.26 -4.92 114.28 113.53 1cff n THR 5 Ca -0.08 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.31 1cff n THR 5 Cb 0.63 -1.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.01 1cff n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cff n GLU 6 N 0.28 0.59 0.18 -0.78 1.02 -1.26 -3.76 120.64 116.91 1cff n GLU 6 Ca 0.04 -0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.10 1cff n GLU 6 Cb 0.39 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 1cff n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1cff h GLU 7 N 0.00 -0.44 0.00 3.49 5.08 -1.99 1.23 114.58 121.96 1cff h GLU 7 Ca 0.00 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1cff h GLU 7 Cb 0.97 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1cff h GLU 7 CO 0.00 -0.29 -0.13 1.96 -1.00 0.00 0.00 179.01 179.55 1cff h GLN 8 N -0.48 0.00 -0.36 2.33 4.20 -2.00 0.46 115.11 119.27 1cff h GLN 8 Ca -0.05 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 1cff h GLN 8 Cb 0.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1cff h GLN 8 CO 0.08 0.13 -0.22 0.82 -0.67 0.00 0.00 178.83 178.97 1cff h ILE 9 N 0.00 1.27 -0.83 2.54 5.03 -1.60 -2.54 117.51 121.37 1cff h ILE 9 Ca -0.00 -1.30 0.19 0.00 -0.12 0.00 0.00 64.86 63.62 1cff h ILE 9 Cb 0.33 1.23 -0.11 0.00 -3.03 0.00 0.00 36.82 35.24 1cff h ILE 9 CO 0.02 0.43 0.33 0.00 -0.68 0.00 0.00 178.15 178.24 1cff h ALA 10 N 1.15 1.25 -0.35 1.87 0.00 0.39 0.82 119.26 124.38 1cff h ALA 10 Ca 0.09 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1cff h ALA 10 Cb 0.70 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1cff h ALA 10 CO 0.05 -0.30 0.21 0.93 0.00 0.00 0.00 179.25 180.15 1cff h GLU 11 N 0.39 0.47 -0.97 0.00 4.39 -1.46 0.27 114.58 117.68 1cff h GLU 11 Ca 0.49 -0.04 0.12 0.00 0.34 0.00 0.00 59.36 60.28 1cff h GLU 11 Cb 0.87 -0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.34 1cff h GLU 11 CO -0.49 0.35 0.60 0.35 -1.16 0.00 0.00 179.01 178.65 1cff h PHE 12 N 0.46 1.08 -0.28 4.33 3.04 0.43 0.62 116.94 126.62 1cff h PHE 12 Ca 0.13 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.08 1cff h PHE 12 Cb -0.00 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.16 1cff h PHE 12 CO -0.04 0.40 0.03 -0.22 -2.02 0.00 0.00 178.31 176.46 1cff h LYS 13 N 0.93 0.41 -0.58 1.11 3.64 0.22 0.16 116.57 122.45 1cff h LYS 13 Ca 0.49 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.89 1cff h LYS 13 Cb 0.52 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 1cff h LYS 13 CO -0.28 0.42 0.21 1.05 -2.27 0.00 0.00 179.45 178.58 1cff h GLU 14 N 0.40 0.38 0.07 1.90 4.11 0.37 0.28 114.58 122.10 1cff h GLU 14 Ca 0.09 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 59.34 1cff h GLU 14 Cb 0.22 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.40 1cff h GLU 14 CO 0.00 0.25 -0.65 0.00 0.07 0.00 0.00 179.01 178.68 1cff h ALA 15 N 1.39 -0.02 -0.38 1.06 0.00 -1.17 -1.62 119.26 118.53 1cff h ALA 15 Ca 0.29 -0.62 0.11 0.00 0.00 0.00 0.00 54.91 54.68 1cff h ALA 15 Cb 0.34 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1cff h ALA 15 CO -0.29 0.32 0.44 0.35 0.00 0.00 0.00 179.25 180.08 1cff h PHE 16 N -0.32 0.00 0.04 0.00 3.57 -0.21 2.64 116.94 122.65 1cff h PHE 16 Ca -0.10 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.06 1cff h PHE 16 Cb 1.44 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.14 1cff h PHE 16 CO 0.18 0.00 -2.03 0.45 -2.23 0.00 0.00 178.31 174.68 1cff n SER 17 N -3.63 1.20 0.07 0.41 2.88 0.96 -3.96 113.62 111.54 1cff n SER 17 Ca 0.07 0.20 -0.22 0.00 -1.33 0.00 0.00 58.87 57.58 1cff n SER 17 Cb 0.61 -0.13 -0.15 0.00 -0.75 0.00 0.00 64.21 63.79 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 0.58 -1.97 2.46 -0.00 0.02 -3.22 115.31 113.20 1cff h LEU 18 Ca -0.42 -0.92 0.11 0.00 -0.00 0.00 0.00 57.88 56.66 1cff h LEU 18 Cb 2.05 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 42.51 1cff h LEU 18 CO 0.05 1.58 0.44 0.15 -0.00 0.00 0.00 178.44 180.66 1cff h PHE 19 N -0.15 0.00 0.00 1.13 3.04 0.43 1.35 116.94 122.74 1cff h PHE 19 Ca -0.24 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.71 1cff h PHE 19 Cb 1.88 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.39 1cff h PHE 19 CO 0.15 0.00 0.00 -3.47 -2.02 0.00 0.00 178.31 172.97 1cff n ASP 20 N -3.68 0.00 -4.41 0.41 -0.08 -1.22 -4.80 116.55 102.76 1cff n ASP 20 Ca 0.07 0.26 -0.37 0.00 -1.51 0.00 0.00 54.79 53.25 1cff n ASP 20 Cb 0.61 -0.42 -0.09 0.00 2.34 0.00 0.00 41.12 43.57 1cff n ASP 20 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1cff n LYS 21 N -1.42 -0.99 0.00 -0.67 2.85 0.46 -4.49 118.16 113.91 1cff n LYS 21 Ca 0.10 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.49 1cff n LYS 21 Cb 0.30 -4.19 0.00 0.00 -0.65 0.00 0.00 35.03 30.48 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1cff n ASP 22 N -2.69 0.00 -1.01 -5.58 5.68 -1.26 -5.05 116.55 106.64 1cff n ASP 22 Ca -0.11 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.18 1cff n ASP 22 Cb 0.58 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 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 -1.01 0.49 0.03 6.12 0.00 -1.23 -4.98 105.19 104.60 1cff n GLY 23 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.72 1.73 0.00 1.61 2.03 -1.26 -5.01 116.55 114.93 1cff n ASP 24 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1cff n ASP 24 Cb 0.50 1.35 0.00 0.00 -0.72 0.00 0.00 41.12 42.25 1cff n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cff n GLY 25 N 1.87 0.59 3.19 0.27 0.00 -1.26 -5.04 105.19 104.81 1cff n GLY 25 Ca -0.10 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.40 -0.67 2.61 -4.23 -1.26 -4.73 115.64 104.96 1cff s THR 26 Ca 0.00 0.17 -0.19 0.00 -1.18 0.00 0.00 61.69 60.50 1cff s THR 26 Cb 0.00 -0.58 0.12 0.00 1.34 0.00 0.00 72.50 73.37 1cff s THR 26 CO 0.00 0.07 0.79 -0.63 -0.54 0.00 0.00 174.62 174.31 1cff s ILE 27 N 2.18 4.84 0.46 2.99 -1.09 -0.85 -4.92 121.20 124.82 1cff s ILE 27 Ca -0.03 -1.16 0.08 0.00 -2.23 0.00 0.00 60.65 57.30 1cff s ILE 27 Cb -0.11 -4.55 0.02 0.00 -1.58 0.00 0.00 42.46 36.24 1cff s ILE 27 CO -0.11 -1.20 0.53 -0.89 -1.23 0.00 0.00 174.94 172.04 1cff s THR 28 N 2.57 2.60 0.58 2.92 2.01 -1.26 -2.40 115.64 122.65 1cff s THR 28 Ca 0.16 -1.16 0.31 0.00 0.31 0.00 0.00 61.69 61.31 1cff s THR 28 Cb -0.20 -2.76 0.44 0.00 0.01 0.00 0.00 72.50 70.00 1cff s THR 28 CO 0.03 0.00 1.77 0.71 -0.69 0.00 0.00 174.62 176.44 1cff h THR 29 N 0.69 0.32 -0.31 -0.82 1.35 -1.96 0.39 112.91 112.56 1cff h THR 29 Ca -0.38 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.45 1cff h THR 29 Cb 1.28 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1cff h THR 29 CO 0.49 0.00 0.08 0.50 -0.25 0.00 0.00 175.52 176.34 1cff h LYS 30 N 0.00 0.49 0.16 4.72 1.63 -1.97 0.69 116.57 122.29 1cff h LYS 30 Ca 0.37 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 1cff h LYS 30 Cb 1.82 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.38 1cff h LYS 30 CO -0.00 0.56 -0.07 0.93 -3.45 0.00 0.00 179.45 177.41 1cff h GLU 31 N 0.34 -0.20 -0.48 1.90 3.07 -0.57 -2.82 114.58 115.82 1cff h GLU 31 Ca 0.10 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.06 1cff h GLU 31 Cb 0.29 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 1cff h GLU 31 CO 0.00 -0.13 0.33 -0.07 -1.40 0.00 0.00 179.01 177.73 1cff h LEU 32 N -0.49 0.23 0.72 1.33 3.38 -1.46 -2.50 115.31 116.52 1cff h LEU 32 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1cff h LEU 32 Cb 0.16 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.87 1cff h LEU 32 CO 0.04 0.14 -0.35 1.23 0.09 0.00 0.00 178.44 179.59 1cff h GLY 33 N 0.26 -1.01 0.12 0.83 0.00 0.31 0.62 103.07 104.20 1cff h GLY 33 Ca 0.22 0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.97 1cff h GLY 33 CO -0.04 -0.37 -0.34 -0.84 0.00 0.00 0.00 176.54 174.95 1cff h THR 34 N -0.97 0.25 -0.74 4.70 2.02 -1.18 0.60 112.91 117.58 1cff h THR 34 Ca -0.10 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.13 1cff h THR 34 Cb 0.74 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1cff h THR 34 CO 0.16 0.00 0.49 -0.37 0.37 0.00 0.00 175.52 176.17 1cff h VAL 35 N -0.42 1.07 0.00 3.16 -1.51 -1.43 0.19 116.25 117.31 1cff h VAL 35 Ca 0.09 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1cff h VAL 35 Cb 0.57 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.88 1cff h VAL 35 CO -0.36 0.15 0.00 0.23 -1.23 0.00 0.00 177.57 176.36 1cff n MET 36 N -4.47 0.15 -0.08 5.19 2.81 0.22 0.49 117.12 121.43 1cff n MET 36 Ca 0.10 0.47 -0.09 0.00 -1.81 0.00 0.00 57.70 56.37 1cff n MET 36 Cb 0.17 -1.85 -0.12 0.00 -0.71 0.00 0.00 33.22 30.71 1cff n MET 36 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1cff n ARG 37 N -2.14 1.23 0.04 0.03 0.00 0.45 0.17 116.66 116.43 1cff n ARG 37 Ca 0.01 0.02 0.12 0.00 -0.00 0.00 0.00 57.85 57.99 1cff n ARG 37 Cb 0.16 -1.41 0.10 0.00 0.00 0.00 0.00 32.46 31.31 1cff n ARG 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1cff n SER 38 N -2.69 0.64 0.06 6.15 2.88 0.09 -3.87 113.62 116.89 1cff n SER 38 Ca -0.28 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 1cff n SER 38 Cb 0.99 0.48 0.00 0.00 -0.75 0.00 0.00 64.21 64.93 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 -2.00 0.33 0.26 2.46 7.99 0.18 -4.80 117.00 121.42 1cff n LEU 39 Ca 0.03 0.19 0.12 0.00 -0.01 0.00 0.00 56.01 56.34 1cff n LEU 39 Cb 0.43 0.00 0.72 0.00 -0.11 0.00 0.00 43.42 44.46 1cff n LEU 39 CO 0.38 -0.67 0.97 1.23 -1.51 0.00 0.00 177.39 177.79 1cff h GLY 40 N 0.00 0.00 -3.14 -0.72 0.00 -1.41 -3.46 103.07 94.34 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 -3.69 -0.05 0.11 4.80 10.64 0.44 -4.31 117.38 125.32 1cff n GLN 41 Ca -0.02 -0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.13 1cff n GLN 41 Cb 0.23 0.04 0.00 0.00 -0.86 0.00 0.00 30.24 29.66 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 0.32 -1.97 -3.57 2.61 5.03 -1.23 -5.02 115.26 111.44 1cff n ASN 42 Ca 0.00 0.63 -0.32 0.00 0.87 0.00 0.00 54.58 55.75 1cff n ASN 42 Cb 0.00 2.06 0.03 0.00 -1.02 0.00 0.00 39.78 40.85 1cff n ASN 42 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1cff n PRO 43 N -3.07 0.00 -2.29 3.52 -0.02 -1.26 -4.95 135.00 126.93 1cff n PRO 43 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.21 1cff n PRO 43 Cb 0.00 -0.89 0.04 0.00 -0.02 0.00 0.00 33.50 32.63 1cff n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1cff s THR 44 N -1.78 3.18 0.38 3.45 -4.23 -1.26 -4.97 115.64 110.41 1cff s THR 44 Ca 0.35 -0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.90 1cff s THR 44 Cb -0.14 -3.30 0.17 0.00 1.34 0.00 0.00 72.50 70.56 1cff s THR 44 CO 0.73 -0.32 1.92 -0.33 -0.54 0.00 0.00 174.62 176.07 1cff h GLU 45 N -0.35 0.28 0.00 3.99 5.08 -2.03 -2.73 114.58 118.82 1cff h GLU 45 Ca -0.45 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 57.76 1cff h GLU 45 Cb 1.28 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1cff h GLU 45 CO 0.61 0.39 -1.37 0.00 -1.00 0.00 0.00 179.01 177.64 1cff n ALA 46 N -2.49 2.25 0.10 3.43 0.00 -1.26 -4.36 120.51 118.19 1cff n ALA 46 Ca -0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 52.86 1cff n ALA 46 Cb 0.25 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.35 -0.55 0.00 4.57 -1.86 -0.94 114.58 115.46 1cff h GLU 47 Ca -0.10 0.02 0.16 0.00 -1.18 0.00 0.00 59.36 58.27 1cff h GLU 47 Cb 1.31 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.96 1cff h GLU 47 CO 0.02 -0.23 0.52 1.37 -1.18 0.00 0.00 179.01 179.51 1cff h LEU 48 N -0.36 0.00 -0.43 1.64 -0.00 -1.76 1.49 115.31 115.90 1cff h LEU 48 Ca 0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.73 1cff h LEU 48 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1cff h LEU 48 CO -0.10 0.00 -0.61 -0.61 -0.00 0.00 0.00 178.44 177.12 1cff h GLN 49 N 0.00 0.59 -0.01 0.17 5.75 -1.42 0.27 115.11 120.46 1cff h GLN 49 Ca 0.26 -0.40 -0.16 0.00 -0.15 0.00 0.00 58.65 58.19 1cff h GLN 49 Cb 1.30 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.89 1cff h GLN 49 CO -0.00 1.02 -0.74 0.22 -2.65 0.00 0.00 178.83 176.68 1cff h ASP 50 N 0.44 0.11 0.37 -0.69 3.58 0.22 0.24 116.42 120.70 1cff h ASP 50 Ca -0.00 -0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.23 1cff h ASP 50 Cb 1.17 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 1cff h ASP 50 CO 0.12 0.81 -0.55 -0.03 -2.88 0.00 0.00 179.24 176.71 1cff h MET 51 N 0.06 0.19 0.15 0.28 4.05 0.96 -1.93 114.93 118.69 1cff h MET 51 Ca -0.02 -0.12 -0.20 0.00 -0.28 0.00 0.00 59.70 59.09 1cff h MET 51 Cb 1.31 0.01 0.02 0.00 -0.80 0.00 0.00 31.60 32.14 1cff h MET 51 CO 0.10 0.70 -0.87 0.82 0.23 0.00 0.00 176.91 177.89 1cff h ILE 52 N 0.15 1.48 0.00 1.77 1.08 -0.25 -3.11 117.51 118.63 1cff h ILE 52 Ca -0.00 -2.54 -0.01 0.00 -0.39 0.00 0.00 64.86 61.92 1cff h ILE 52 Cb 1.02 3.18 -0.00 0.00 -3.07 0.00 0.00 36.82 37.95 1cff h ILE 52 CO 0.08 0.72 -0.03 -1.13 -0.69 0.00 0.00 178.15 177.10 1cff h ASN 53 N -0.35 0.00 0.50 1.72 -0.73 -0.50 -1.35 115.58 114.86 1cff h ASN 53 Ca -0.15 0.00 -0.24 0.00 1.87 0.00 0.00 56.30 57.77 1cff h ASN 53 Cb 1.67 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.26 1cff h ASN 53 CO 0.15 0.03 -1.06 -0.33 -0.37 0.00 0.00 177.43 175.85 1cff h GLU 54 N 0.00 0.32 0.00 6.67 5.08 -1.39 -3.15 114.58 122.11 1cff h GLU 54 Ca -0.00 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1cff h GLU 54 Cb 0.09 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1cff h GLU 54 CO 0.00 1.14 -0.04 0.28 -1.00 0.00 0.00 179.01 179.39 1cff n VAL 55 N -3.64 0.20 -0.58 3.13 0.31 -0.61 -4.41 118.33 112.72 1cff n VAL 55 Ca -0.07 -0.10 -0.16 0.00 -0.01 0.00 0.00 64.34 64.00 1cff n VAL 55 Cb 0.91 -0.48 -0.02 0.00 -0.91 0.00 0.00 33.84 33.34 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1cff n ASP 56 N -1.76 3.82 -0.31 4.52 8.00 -0.61 -4.50 116.55 125.71 1cff n ASP 56 Ca 0.06 -2.22 0.00 0.00 0.71 0.00 0.00 54.79 53.35 1cff n ASP 56 Cb 0.37 -0.94 0.13 0.00 -0.02 0.00 0.00 41.12 40.66 1cff n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cff h ALA 57 N 6.33 1.16 0.00 2.24 0.00 -1.86 -1.50 119.26 125.62 1cff h ALA 57 Ca 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1cff h ALA 57 Cb 0.21 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1cff h ALA 57 CO 1.22 0.30 -1.56 -0.40 0.00 0.00 0.00 179.25 178.80 1cff n ASP 58 N -4.61 0.40 -4.23 0.00 5.75 -1.26 -4.99 116.55 107.60 1cff n ASP 58 Ca 0.12 0.15 -0.37 0.00 -0.01 0.00 0.00 54.79 54.68 1cff n ASP 58 Cb 0.16 1.24 -0.06 0.00 -1.03 0.00 0.00 41.12 41.43 1cff n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cff n GLY 59 N 1.24 -0.38 0.11 6.12 0.00 -0.57 -4.84 105.19 106.87 1cff n GLY 59 Ca -0.03 0.23 0.03 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.12 0.00 0.00 1.61 -1.07 -1.94 -3.47 115.58 108.59 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 0.64 0.43 0.00 0.61 0.07 0.00 0.00 177.43 179.18 1cff n GLY 61 N 1.32 0.32 2.39 9.14 0.00 -1.26 -5.16 105.19 111.94 1cff n GLY 61 Ca -0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.67 2.61 -2.24 -1.26 -5.06 114.28 106.66 1cff n THR 62 Ca 0.00 -0.57 -0.44 0.00 -2.27 0.00 0.00 64.05 60.77 1cff n THR 62 Cb 0.00 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 1cff n THR 62 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1cff n ILE 63 N -0.36 0.63 -4.47 2.28 2.08 -1.01 -4.87 119.36 113.64 1cff n ILE 63 Ca -0.05 -0.11 -0.29 0.00 0.56 0.00 0.00 62.75 62.86 1cff n ILE 63 Cb 0.37 -2.11 -0.13 0.00 -0.75 0.00 0.00 39.64 37.02 1cff n ILE 63 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1cff s ASP 64 N 3.99 3.28 0.32 4.38 -1.08 -1.26 -2.00 116.67 124.30 1cff s ASP 64 Ca 0.89 -0.72 0.07 0.00 -0.52 0.00 0.00 52.55 52.26 1cff s ASP 64 Cb -0.54 -0.23 0.91 0.00 -1.46 0.00 0.00 42.92 41.60 1cff s ASP 64 CO 0.45 0.19 1.58 0.15 0.52 0.00 0.00 175.17 178.06 1cff h PHE 65 N 4.02 0.21 0.83 -5.34 3.57 -1.93 0.12 116.94 118.42 1cff h PHE 65 Ca -0.50 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 1cff h PHE 65 Cb 1.17 0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.99 1cff h PHE 65 CO 0.58 -0.43 -0.40 -1.35 -2.23 0.00 0.00 178.31 174.48 1cff h PRO 66 N 0.02 -1.08 -0.05 6.41 0.11 -1.97 1.01 132.00 136.44 1cff h PRO 66 Ca 0.66 0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.80 1cff h PRO 66 Cb 1.49 0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.84 1cff h PRO 66 CO -0.87 -0.71 -0.19 1.05 -0.21 0.00 0.00 178.00 177.08 1cff h GLU 67 N -1.20 0.09 0.01 1.05 4.11 -1.70 -1.12 114.58 115.82 1cff h GLU 67 Ca -0.11 -0.02 -0.23 0.00 0.07 0.00 0.00 59.36 59.07 1cff h GLU 67 Cb 0.87 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1cff h GLU 67 CO 0.19 0.28 -1.12 0.35 0.07 0.00 0.00 179.01 178.77 1cff h PHE 68 N 0.08 0.06 0.42 2.06 3.04 -0.72 -2.84 116.94 119.04 1cff h PHE 68 Ca 0.02 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 1cff h PHE 68 Cb 0.38 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.89 1cff h PHE 68 CO 0.00 1.04 -0.20 1.25 -2.02 0.00 0.00 178.31 178.37 1cff h LEU 69 N 0.01 -0.48 -0.81 0.59 5.85 0.16 -2.76 115.31 117.87 1cff h LEU 69 Ca -0.06 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1cff h LEU 69 Cb 1.82 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.93 1cff h LEU 69 CO 0.13 -0.08 0.52 0.71 -0.34 0.00 0.00 178.44 179.39 1cff h THR 70 N -0.98 1.15 -0.88 1.05 1.35 -1.36 0.55 112.91 113.78 1cff h THR 70 Ca -0.06 -0.35 0.09 0.00 -0.55 0.00 0.00 66.41 65.54 1cff h THR 70 Cb 0.56 0.03 -0.07 0.00 -1.73 0.00 0.00 68.15 66.93 1cff h THR 70 CO 0.10 0.19 0.53 -0.03 -0.25 0.00 0.00 175.52 176.05 1cff h MET 71 N 1.03 0.87 0.19 4.72 1.85 -1.55 1.12 114.93 123.16 1cff h MET 71 Ca 0.32 -0.05 -0.33 0.00 -0.61 0.00 0.00 59.70 59.02 1cff h MET 71 Cb -0.03 -0.20 0.02 0.00 0.43 0.00 0.00 31.60 31.82 1cff h MET 71 CO -0.10 0.57 -1.60 0.52 -0.40 0.00 0.00 176.91 175.90 1cff h MET 72 N 0.89 0.41 0.25 0.39 2.07 -1.12 -3.38 114.93 114.44 1cff h MET 72 Ca 0.42 -0.70 -0.01 0.00 -2.07 0.00 0.00 59.70 57.34 1cff h MET 72 Cb 0.34 0.26 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 1cff h MET 72 CO -0.23 1.33 -0.12 0.00 1.07 0.00 0.00 176.91 178.96 1cff h ALA 73 N 0.10 -0.34 -2.47 6.32 0.00 0.40 -3.43 119.26 119.84 1cff h ALA 73 Ca -0.31 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 53.88 1cff h ALA 73 Cb 2.05 0.13 0.02 0.00 0.00 0.00 0.00 17.79 19.99 1cff h ALA 73 CO 0.19 -0.51 0.93 0.50 0.00 0.00 0.00 179.25 180.36 1cff s ARG 74 N -4.59 4.22 -0.30 0.00 3.52 0.38 -4.96 118.95 117.22 1cff s ARG 74 Ca -0.14 2.26 -0.09 0.00 -0.13 0.00 0.00 55.73 57.63 1cff s ARG 74 Cb 0.02 -3.50 0.18 0.00 -1.56 0.00 0.00 34.95 30.09 1cff s ARG 74 CO 0.56 -0.67 0.95 -1.59 -0.81 0.00 0.00 175.30 173.74 1cff s LYS 75 N 2.26 0.25 -0.09 5.12 -2.85 -1.26 -4.78 119.74 118.39 1cff s LYS 75 Ca 0.71 0.34 -0.30 0.00 -1.00 0.00 0.00 55.97 55.72 1cff s LYS 75 Cb -0.39 0.18 0.11 0.00 -2.06 0.00 0.00 37.83 35.67 1cff s LYS 75 CO 0.31 -0.38 0.95 -1.64 0.10 0.00 0.00 175.35 174.68 1cff s MET 76 N 2.93 0.69 1.15 1.78 -1.94 -1.26 -5.15 119.30 117.50 1cff s MET 76 Ca 0.14 -0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.07 1cff s MET 76 Cb -0.07 0.32 0.00 0.00 2.01 0.00 0.00 34.83 37.09 1cff s MET 76 CO -0.19 -0.26 0.00 1.63 -0.01 0.00 0.00 175.02 176.19 1cff n LYS 77 N 0.29 -0.70 0.00 2.03 4.01 -1.26 -4.61 118.16 117.91 1cff n LYS 77 Ca -0.09 0.46 0.00 0.00 -0.51 0.00 0.00 58.31 58.17 1cff n LYS 77 Cb 0.59 -0.86 0.00 0.00 -0.51 0.00 0.00 35.03 34.26 1cff n LYS 77 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1cff n ASP 78 N -2.20 0.00 -1.67 4.39 9.92 -1.26 -5.05 116.55 120.68 1cff n ASP 78 Ca 0.00 0.44 -0.01 0.00 -0.53 0.00 0.00 54.79 54.70 1cff n ASP 78 Cb 0.16 -0.10 -0.01 0.00 -0.64 0.00 0.00 41.12 40.54 1cff n ASP 78 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1cff n THR 79 N -0.79 -4.34 -3.90 -3.53 -2.24 -1.26 -5.09 114.28 93.12 1cff n THR 79 Ca 0.00 0.41 -0.16 0.00 -2.27 0.00 0.00 64.05 62.03 1cff n THR 79 Cb 0.00 -4.08 -0.16 0.00 -2.10 0.00 0.00 70.33 63.99 1cff n THR 79 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1cff s ASP 80 N -0.13 0.30 -0.26 3.42 -4.77 -1.26 -5.12 116.67 108.84 1cff s ASP 80 Ca -0.04 -0.01 -0.02 0.00 -3.30 0.00 0.00 52.55 49.19 1cff s ASP 80 Cb 0.00 -0.16 0.08 0.00 -1.09 0.00 0.00 42.92 41.76 1cff s ASP 80 CO 0.12 -0.09 0.07 -0.94 0.70 0.00 0.00 175.17 175.03 1cff s SER 81 N 0.90 3.61 -0.08 2.11 1.04 -1.26 -5.01 113.70 115.00 1cff s SER 81 Ca -0.09 -1.31 -0.17 0.00 0.48 0.00 0.00 55.95 54.87 1cff s SER 81 Cb -0.12 -0.76 -0.13 0.00 0.10 0.00 0.00 66.02 65.11 1cff s SER 81 CO -0.02 -0.37 0.61 -0.08 0.98 0.00 0.00 173.24 174.36 1cff h GLU 82 N 8.16 -0.13 0.00 4.02 4.81 -2.01 -3.46 114.58 125.96 1cff h GLU 82 Ca -0.15 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1cff h GLU 82 Cb 1.05 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1cff h GLU 82 CO 0.42 0.29 0.00 0.39 -0.73 0.00 0.00 179.01 179.38 1cff n GLU 83 N -4.83 0.00 -2.54 1.92 1.02 -1.26 -4.64 120.64 110.30 1cff n GLU 83 Ca -0.06 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.76 1cff n GLU 83 Cb 0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.63 1cff n GLU 83 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1cff s GLU 84 N 0.00 3.88 0.00 3.49 2.12 -1.26 -3.53 118.70 123.39 1cff s GLU 84 Ca 0.00 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.10 1cff s GLU 84 Cb 0.00 -2.23 0.00 0.00 0.26 0.00 0.00 34.13 32.16 1cff s GLU 84 CO 0.00 -0.20 0.00 -0.89 -0.54 0.00 0.00 175.26 173.63 1cff n ILE 85 N -1.51 0.00 0.47 -3.70 5.41 -1.26 -4.84 119.36 113.92 1cff n ILE 85 Ca 0.05 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.90 1cff n ILE 85 Cb 0.54 -0.28 0.42 0.00 -0.71 0.00 0.00 39.64 39.61 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 -1.79 0.11 -0.09 0.38 0.63 -1.23 -0.58 116.66 114.09 1cff n ARG 86 Ca 0.00 0.33 -0.16 0.00 -0.92 0.00 0.00 57.85 57.10 1cff n ARG 86 Cb 0.11 -1.70 -0.09 0.00 0.45 0.00 0.00 32.46 31.23 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 -2.50 114.58 115.14 1cff h GLU 87 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1cff h GLU 87 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1cff h GLU 87 CO 0.00 0.76 -0.08 0.00 -1.00 0.00 0.00 179.01 178.69 1cff h ALA 88 N -0.53 1.78 -0.26 3.43 0.00 -1.94 1.26 119.26 122.99 1cff h ALA 88 Ca -0.21 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1cff h ALA 88 Cb 1.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1cff h ALA 88 CO -0.13 0.09 -0.44 0.35 0.00 0.00 0.00 179.25 179.13 1cff h PHE 89 N 0.00 0.94 0.00 0.00 3.04 -0.96 -0.38 116.94 119.59 1cff h PHE 89 Ca -0.00 -0.33 -0.18 0.00 3.98 0.00 0.00 57.97 61.44 1cff h PHE 89 Cb 0.14 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.45 1cff h PHE 89 CO 0.00 1.12 -0.86 0.00 -2.02 0.00 0.00 178.31 176.54 1cff h ARG 90 N 0.50 0.00 -0.49 1.11 2.47 -0.80 -1.91 114.38 115.25 1cff h ARG 90 Ca 0.02 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.63 1cff h ARG 90 Cb 1.04 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.34 1cff h ARG 90 CO 0.10 0.83 -0.12 0.28 0.56 0.00 0.00 179.97 181.62 1cff h VAL 91 N 0.00 1.27 -0.00 2.04 2.07 0.16 -3.07 116.25 118.71 1cff h VAL 91 Ca -0.01 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1cff h VAL 91 Cb 1.65 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1cff h VAL 91 CO 0.11 0.43 -0.62 0.49 0.02 0.00 0.00 177.57 178.00 1cff n PHE 92 N -4.15 0.00 0.22 1.57 3.72 -0.16 -4.11 117.46 114.55 1cff n PHE 92 Ca 0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.53 1cff n PHE 92 Cb 0.39 -0.11 0.30 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.56 0.00 -4.47 4.37 1.82 -1.24 -3.43 116.42 114.03 1cff h ASP 93 Ca 0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.56 1cff h ASP 93 Cb 0.54 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.50 1cff h ASP 93 CO 0.00 0.12 -0.12 1.17 -1.61 0.00 0.00 179.24 178.80 1cff n LYS 94 N -3.16 -2.24 0.00 0.28 3.00 -1.24 -3.42 118.16 111.38 1cff n LYS 94 Ca 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1cff n LYS 94 Cb 0.50 -3.51 0.00 0.00 0.00 0.00 0.00 35.03 32.02 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 -1.26 0.00 0.00 3.14 5.68 -1.26 -4.86 116.55 117.99 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 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 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 -0.13 0.88 6.12 0.00 -1.22 -5.10 105.19 105.75 1cff n GLY 96 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 0.87 0.00 1.61 5.03 -1.26 -5.06 115.26 116.45 1cff n ASN 97 Ca 0.00 0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.57 1cff n ASN 97 Cb 0.00 -0.29 0.00 0.00 -1.02 0.00 0.00 39.78 38.47 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 1.29 3.69 7.41 0.00 -1.26 -5.11 105.19 114.19 1cff n GLY 98 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.72 2.98 -0.69 1.61 1.51 -1.26 -3.79 117.35 116.99 1cff s TYR 99 Ca 0.00 -0.04 -0.01 0.00 -1.01 0.00 0.00 57.07 56.01 1cff s TYR 99 Cb 0.00 -1.51 0.17 0.00 -0.11 0.00 0.00 41.96 40.51 1cff s TYR 99 CO 0.00 0.49 0.52 0.42 -1.11 0.00 0.00 175.55 175.86 1cff s ILE 100 N -1.39 3.68 0.08 2.71 1.01 -1.08 -4.93 121.20 121.27 1cff s ILE 100 Ca 0.26 -3.38 -0.29 0.00 0.00 0.00 0.00 60.65 57.25 1cff s ILE 100 Cb -0.11 -3.38 -0.17 0.00 0.01 0.00 0.00 42.46 38.81 1cff s ILE 100 CO 0.19 -0.94 1.66 0.28 0.00 0.00 0.00 174.94 176.13 1cff h SER 101 N 6.53 -0.45 0.00 3.58 0.02 -1.93 -3.36 113.55 117.95 1cff h SER 101 Ca 0.04 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1cff h SER 101 Cb 0.89 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1cff h SER 101 CO 0.74 -0.31 0.00 0.00 -1.14 0.00 0.00 176.83 176.12 1cff n ALA 102 N -2.32 0.00 -0.10 3.77 0.00 -1.26 -4.95 120.51 115.65 1cff n ALA 102 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 1cff n ALA 102 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.48 -0.57 0.00 0.00 -1.98 0.60 119.26 116.83 1cff h ALA 103 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1cff h ALA 103 Cb 0.00 0.98 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1cff h ALA 103 CO 0.00 -0.63 0.24 1.05 0.00 0.00 0.00 179.25 179.91 1cff h GLU 104 N -0.15 0.43 -0.88 0.00 4.11 -1.87 -0.37 114.58 115.85 1cff h GLU 104 Ca 0.05 -0.03 0.15 0.00 0.07 0.00 0.00 59.36 59.60 1cff h GLU 104 Cb 0.27 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.33 1cff h GLU 104 CO -0.33 0.28 0.47 -0.07 0.07 0.00 0.00 179.01 179.43 1cff h LEU 105 N 0.44 0.57 0.69 3.06 -0.00 -1.39 1.60 115.31 120.29 1cff h LEU 105 Ca 0.28 0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 58.21 1cff h LEU 105 Cb 0.29 -0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.95 1cff h LEU 105 CO -0.25 0.23 -0.33 0.03 -0.00 0.00 0.00 178.44 178.12 1cff h ARG 106 N 0.65 -0.89 -0.04 1.13 2.47 0.18 -0.44 114.38 117.44 1cff h ARG 106 Ca 0.48 0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 59.22 1cff h ARG 106 Cb 0.69 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 1cff h ARG 106 CO -0.37 -0.59 -0.14 1.25 0.56 0.00 0.00 179.97 180.68 1cff h HIS 107 N -0.97 0.22 -0.25 3.04 2.76 -1.07 -1.96 115.15 116.92 1cff h HIS 107 Ca -0.09 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 57.98 1cff h HIS 107 Cb 0.71 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1cff h HIS 107 CO 0.06 0.77 0.15 0.28 -1.30 0.00 0.00 177.93 177.89 1cff h VAL 108 N -0.39 1.10 0.00 5.26 2.07 0.22 -1.27 116.25 123.24 1cff h VAL 108 Ca -0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1cff h VAL 108 Cb 0.78 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1cff h VAL 108 CO 0.03 0.10 -0.17 0.80 0.02 0.00 0.00 177.57 178.34 1cff n MET 109 N -4.87 0.26 0.05 1.57 0.00 -0.17 -2.35 117.12 111.60 1cff n MET 109 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 57.70 57.85 1cff n MET 109 Cb 0.05 -1.76 -0.07 0.00 0.00 0.00 0.00 33.22 31.44 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 0.56 0.00 1.12 1.03 -1.18 -3.24 112.91 111.20 1cff h THR 110 Ca 0.00 -2.04 -0.23 0.00 -0.01 0.00 0.00 66.41 64.14 1cff h THR 110 Cb 0.73 2.09 -0.04 0.00 -1.07 0.00 0.00 68.15 69.87 1cff h THR 110 CO 0.00 0.32 -1.22 0.78 -0.01 0.00 0.00 175.52 175.39 1cff h ASN 111 N 0.00 0.00 -0.17 0.00 4.21 -1.26 -3.35 115.58 115.02 1cff h ASN 111 Ca -0.14 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.37 1cff h ASN 111 Cb 1.55 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.75 1cff h ASN 111 CO 0.05 0.93 0.09 0.25 -1.29 0.00 0.00 177.43 177.46 1cff h LEU 112 N 0.00 0.22 0.00 1.61 5.85 -1.57 -3.47 115.31 117.94 1cff h LEU 112 Ca -0.11 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1cff h LEU 112 Cb 1.81 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1cff h LEU 112 CO 0.10 0.26 0.00 0.61 -0.34 0.00 0.00 178.44 179.07 1cff n GLY 113 N -0.87 -1.07 0.00 3.75 0.00 -1.25 -5.12 105.19 100.63 1cff n GLY 113 Ca -0.04 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1cff n GLY 113 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1cff n GLU 114 N -2.79 0.79 -2.68 1.61 0.28 -1.22 -4.98 120.64 111.64 1cff n GLU 114 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 1cff n GLU 114 Cb 0.00 0.00 0.07 0.00 1.43 0.00 0.00 31.44 32.94 1cff n GLU 114 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1cff n LYS 115 N -0.21 1.19 -1.52 3.44 2.85 -1.26 -4.04 118.16 118.61 1cff n LYS 115 Ca 0.00 -2.64 -0.27 0.00 -1.05 0.00 0.00 58.31 54.35 1cff n LYS 115 Cb 0.00 -0.74 -0.15 0.00 -0.65 0.00 0.00 35.03 33.49 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 -0.33 0.09 -4.33 -5.58 4.77 -1.26 -4.86 117.00 105.49 1cff n LEU 116 Ca 0.03 -0.54 -0.32 0.00 -0.03 0.00 0.00 56.01 55.15 1cff n LEU 116 Cb 0.83 -0.98 0.18 0.00 -2.33 0.00 0.00 43.42 41.11 1cff n LEU 116 CO 0.11 -1.51 -0.30 0.35 -1.33 0.00 0.00 177.39 174.71 1cff n THR 117 N 6.98 0.00 0.31 -5.08 -2.24 -1.26 -4.31 114.28 108.67 1cff n THR 117 Ca 0.60 -0.30 0.17 0.00 -2.27 0.00 0.00 64.05 62.25 1cff n THR 117 Cb 0.22 -0.67 0.99 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.07 0.00 0.02 3.42 1.82 -1.97 0.35 116.42 117.99 1cff h ASP 118 Ca -0.53 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.11 1cff h ASP 118 Cb 1.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.35 1cff h ASP 118 CO 0.39 0.00 -0.01 -0.33 -1.61 0.00 0.00 179.24 177.69 1cff h GLU 119 N 0.00 -0.02 -0.49 0.28 5.08 -1.98 -2.65 114.58 114.80 1cff h GLU 119 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cff h GLU 119 Cb 0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1cff h GLU 119 CO 0.00 -0.02 0.30 1.05 -1.00 0.00 0.00 179.01 179.34 1cff h GLU 120 N -0.51 0.65 -0.22 2.33 4.11 -1.87 -2.21 114.58 116.86 1cff h GLU 120 Ca -0.00 -0.05 -0.14 0.00 0.07 0.00 0.00 59.36 59.24 1cff h GLU 120 Cb 0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1cff h GLU 120 CO 0.00 0.45 -0.44 -0.24 0.07 0.00 0.00 179.01 178.85 1cff h VAL 121 N 0.66 1.31 0.34 -1.06 3.04 -0.46 -1.88 116.25 118.20 1cff h VAL 121 Ca 0.18 -1.63 -0.02 0.00 -1.01 0.00 0.00 66.70 64.22 1cff h VAL 121 Cb -0.03 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1cff h VAL 121 CO -0.03 0.51 -0.16 -0.78 -1.01 0.00 0.00 177.57 176.09 1cff h ASP 122 N 0.44 -0.39 -0.03 3.17 1.82 -1.02 -2.06 116.42 118.35 1cff h ASP 122 Ca 0.03 -0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.58 1cff h ASP 122 Cb 0.95 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 41.05 1cff h ASP 122 CO 0.08 -0.21 -0.11 -0.33 -1.61 0.00 0.00 179.24 177.06 1cff h GLU 123 N -0.54 0.31 0.04 0.28 5.08 -1.55 -1.88 114.58 116.33 1cff h GLU 123 Ca -0.05 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1cff h GLU 123 Cb 0.40 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1cff h GLU 123 CO 0.08 0.43 -0.17 1.98 -1.00 0.00 0.00 179.01 180.33 1cff h MET 124 N 0.29 -0.28 0.00 2.33 4.05 -1.03 0.28 114.93 120.58 1cff h MET 124 Ca 0.06 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1cff h MET 124 Cb 0.38 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1cff h MET 124 CO 0.02 -0.19 0.00 0.82 0.23 0.00 0.00 176.91 177.79 1cff h ILE 125 N -0.29 0.00 -0.02 1.77 1.08 -1.14 0.47 117.51 119.38 1cff h ILE 125 Ca 0.04 -0.42 -0.10 0.00 -0.39 0.00 0.00 64.86 63.99 1cff h ILE 125 Cb 0.34 1.38 0.01 0.00 -3.07 0.00 0.00 36.82 35.48 1cff h ILE 125 CO -0.13 0.00 -0.38 0.03 -0.69 0.00 0.00 178.15 176.98 1cff h ARG 126 N 0.00 0.29 0.00 2.37 3.08 -0.24 0.90 114.38 120.78 1cff h ARG 126 Ca 0.00 -0.28 -0.19 0.00 0.07 0.00 0.00 59.98 59.58 1cff h ARG 126 Cb 0.43 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1cff h ARG 126 CO 0.00 0.97 -0.90 0.93 -1.07 0.00 0.00 179.97 179.91 1cff h GLU 127 N -0.29 0.00 -0.25 0.04 3.07 -0.27 -3.20 114.58 113.67 1cff h GLU 127 Ca -0.04 -0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.65 1cff h GLU 127 Cb 1.09 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1cff h GLU 127 CO 0.07 0.90 -0.52 0.00 -1.40 0.00 0.00 179.01 178.06 1cff h ALA 128 N 1.10 0.61 -2.14 3.43 0.00 -0.09 -3.43 119.26 118.75 1cff h ALA 128 Ca -0.01 -0.50 -0.57 0.00 0.00 0.00 0.00 54.91 53.84 1cff h ALA 128 Cb 1.59 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1cff h ALA 128 CO 0.12 0.68 1.36 -3.47 0.00 0.00 0.00 179.25 177.93 1cff n ASP 129 N -3.99 3.67 0.00 0.00 -0.08 0.31 -4.90 116.55 111.56 1cff n ASP 129 Ca -0.03 0.57 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 1cff n ASP 129 Cb 0.60 -1.53 0.00 0.00 2.34 0.00 0.00 41.12 42.53 1cff n ASP 129 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1cff n ILE 130 N 6.60 0.00 -0.31 5.18 -0.00 -1.26 -4.13 119.36 125.44 1cff n ILE 130 Ca 0.25 0.49 0.16 0.00 -0.00 0.00 0.00 62.75 63.65 1cff n ILE 130 Cb 0.42 -1.38 0.34 0.00 -0.00 0.00 0.00 39.64 39.02 1cff n ILE 130 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 1cff h ASP 131 N 0.00 0.10 -3.54 4.38 3.32 -1.92 -3.46 116.42 115.31 1cff h ASP 131 Ca 0.00 0.20 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 1cff h ASP 131 Cb 0.00 0.25 0.06 0.00 0.22 0.00 0.00 39.33 39.86 1cff h ASP 131 CO 0.00 -0.17 -0.27 0.61 -1.72 0.00 0.00 179.24 177.69 1cff n GLY 132 N -1.36 0.22 0.06 2.75 0.00 -1.26 -4.98 105.19 100.62 1cff n GLY 132 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.90 0.07 0.00 1.61 8.00 -1.26 -4.96 116.55 118.11 1cff n ASP 133 Ca -0.05 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1cff n ASP 133 Cb 0.55 1.34 0.00 0.00 -0.02 0.00 0.00 41.12 42.98 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 1.52 0.64 3.55 0.44 0.00 -1.26 -5.13 105.19 104.95 1cff n GLY 134 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 1.66 -0.37 1.61 0.74 -1.26 -4.97 119.66 117.06 1cff s GLN 135 Ca 0.00 -1.43 -0.20 0.00 0.05 0.00 0.00 55.36 53.79 1cff s GLN 135 Cb 0.00 0.46 0.01 0.00 1.10 0.00 0.00 33.01 34.57 1cff s GLN 135 CO 0.00 -0.69 0.59 0.08 -0.55 0.00 0.00 175.29 174.72 1cff s VAL 136 N -3.67 4.93 -0.22 1.34 1.01 -1.26 -4.74 120.40 117.79 1cff s VAL 136 Ca 0.25 0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 1cff s VAL 136 Cb -0.00 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1cff s VAL 136 CO 0.12 -0.34 0.28 0.21 0.00 0.00 0.00 175.10 175.37 1cff s ASN 137 N 1.82 6.27 0.38 3.32 2.47 -1.26 -2.63 114.94 125.31 1cff s ASN 137 Ca 0.22 0.30 0.31 0.00 0.42 0.00 0.00 52.86 54.11 1cff s ASN 137 Cb -0.15 -2.17 1.23 0.00 -1.45 0.00 0.00 41.25 38.72 1cff s ASN 137 CO 0.15 -0.01 1.20 0.00 -3.72 0.00 0.00 177.10 174.72 1cff n TYR 138 N 4.42 0.30 -0.20 0.43 9.36 -1.25 0.21 117.16 130.43 1cff n TYR 138 Ca -0.12 0.31 0.27 0.00 3.32 0.00 0.00 57.90 61.68 1cff n TYR 138 Cb 0.52 -0.70 0.67 0.00 -0.63 0.00 0.00 39.34 39.19 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 0.10 0.02 2.98 -0.00 -1.93 0.52 114.58 116.27 1cff h GLU 139 Ca 0.70 -0.01 -0.14 0.00 -0.00 0.00 0.00 59.36 59.92 1cff h GLU 139 Cb 2.51 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 31.23 1cff h GLU 139 CO -0.21 0.06 -0.72 0.93 -0.00 0.00 0.00 179.01 179.08 1cff h GLU 140 N 0.10 0.05 -0.77 1.06 5.08 0.20 -2.50 114.58 117.80 1cff h GLU 140 Ca 0.45 -0.08 0.18 0.00 -1.00 0.00 0.00 59.36 58.91 1cff h GLU 140 Cb 1.62 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.76 1cff h GLU 140 CO -0.06 1.04 0.03 0.35 -1.00 0.00 0.00 179.01 179.37 1cff h PHE 141 N -0.88 -0.01 0.01 4.33 3.57 -0.74 -0.21 116.94 123.01 1cff h PHE 141 Ca -0.18 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 1cff h PHE 141 Cb 1.25 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1cff h PHE 141 CO 0.18 -0.24 -0.01 -0.39 -2.23 0.00 0.00 178.31 175.63 1cff h VAL 142 N 0.11 0.61 -1.05 1.41 -1.51 -0.24 -2.37 116.25 113.22 1cff h VAL 142 Ca 0.43 -1.43 0.30 0.00 -1.23 0.00 0.00 66.70 64.77 1cff h VAL 142 Cb 0.77 1.15 -0.04 0.00 -2.13 0.00 0.00 31.29 31.03 1cff h VAL 142 CO -0.67 0.20 0.88 0.06 -1.23 0.00 0.00 177.57 176.82 1cff h GLN 143 N -1.00 0.00 0.18 5.19 -0.00 -1.28 1.48 115.11 119.68 1cff h GLN 143 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.29 1cff h GLN 143 Cb 0.35 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.84 1cff h GLN 143 CO 0.00 0.00 -1.78 1.98 -0.00 0.00 0.00 178.83 179.03 1cff h MET 144 N 0.00 0.39 0.00 0.06 4.05 -1.13 -3.30 114.93 115.00 1cff h MET 144 Ca 0.50 -0.66 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1cff h MET 144 Cb 2.26 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 33.31 1cff h MET 144 CO -0.01 1.32 -0.25 -0.12 0.23 0.00 0.00 176.91 178.09 1cff n MET 145 N -3.59 0.22 0.13 0.39 0.00 0.15 -4.67 117.12 109.75 1cff n MET 145 Ca -0.26 0.38 -0.08 0.00 -0.00 0.00 0.00 57.70 57.74 1cff n MET 145 Cb 1.07 -1.20 -0.04 0.00 0.00 0.00 0.00 33.22 33.05 1cff n MET 145 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1cff h THR 146 N -0.48 0.00 -4.06 1.12 1.35 0.16 -3.42 112.91 107.57 1cff h THR 146 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.33 1cff h THR 146 Cb 0.25 0.00 0.11 0.00 -1.73 0.00 0.00 68.15 66.77 1cff h THR 146 CO 0.00 0.00 0.51 0.00 -0.25 0.00 0.00 175.52 175.78 1cff s ALA 147 N -4.40 2.71 -2.74 6.62 0.00 -0.95 -5.00 121.76 117.99 1cff s ALA 147 Ca -0.08 1.06 0.26 0.00 0.00 0.00 0.00 51.96 53.21 1cff s ALA 147 Cb 0.02 -3.46 0.64 0.00 0.00 0.00 0.00 23.12 20.32 1cff s ALA 147 CO 0.27 -1.08 1.51 1.63 0.00 0.00 0.00 175.76 178.09