#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cff n ASP 2 N 0.00 3.54 -3.91 0.00 5.75 -1.26 -5.05 116.55 115.62 1cff n ASP 2 Ca 0.00 -3.45 -0.10 0.00 -0.01 0.00 0.00 54.79 51.23 1cff n ASP 2 Cb 0.00 -0.62 -0.10 0.00 -1.03 0.00 0.00 41.12 39.37 1cff n ASP 2 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1cff s GLN 3 N -2.77 0.43 -0.37 0.11 -0.21 -1.26 -5.09 119.66 110.50 1cff s GLN 3 Ca 0.43 -0.47 0.11 0.00 0.02 0.00 0.00 55.36 55.45 1cff s GLN 3 Cb 0.22 0.17 0.34 0.00 1.00 0.00 0.00 33.01 34.74 1cff s GLN 3 CO -0.08 -0.10 0.71 -0.11 -2.12 0.00 0.00 175.29 173.60 1cff n LEU 4 N 1.48 0.68 -4.67 2.90 0.00 -1.26 -5.11 117.00 111.02 1cff n LEU 4 Ca -0.23 -4.94 -0.40 0.00 0.00 0.00 0.00 56.01 50.43 1cff n LEU 4 Cb 0.55 0.71 0.02 0.00 0.00 0.00 0.00 43.42 44.71 1cff n LEU 4 CO 0.21 2.26 0.77 0.35 0.00 0.00 0.00 177.39 180.97 1cff n THR 5 N 0.42 2.89 0.60 1.96 -2.24 -1.26 -4.89 114.28 111.76 1cff n THR 5 Ca 0.24 -0.50 0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1cff n THR 5 Cb 0.65 -1.41 0.10 0.00 -2.10 0.00 0.00 70.33 67.57 1cff n THR 5 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1cff n GLU 6 N -0.25 0.27 0.06 -0.78 2.13 -1.26 -3.66 120.64 117.14 1cff n GLU 6 Ca 0.09 0.04 -0.03 0.00 0.66 0.00 0.00 57.16 57.92 1cff n GLU 6 Cb 0.41 -1.63 -0.01 0.00 0.27 0.00 0.00 31.44 30.49 1cff n GLU 6 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1cff h GLU 7 N 0.00 -0.17 -0.17 5.31 4.22 -1.99 -2.86 114.58 118.91 1cff h GLU 7 Ca 0.00 0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.35 1cff h GLU 7 Cb 0.72 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1cff h GLU 7 CO 0.00 -0.11 -0.29 1.96 -2.18 0.00 0.00 179.01 178.39 1cff h GLN 8 N -0.42 0.50 -0.92 1.92 4.20 -1.99 -2.85 115.11 115.55 1cff h GLN 8 Ca -0.02 -0.31 0.22 0.00 0.06 0.00 0.00 58.65 58.61 1cff h GLN 8 Cb 0.13 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 1cff h GLN 8 CO 0.03 0.91 0.62 0.97 -0.67 0.00 0.00 178.83 180.68 1cff h ILE 9 N 0.14 0.63 -1.00 2.54 -0.00 -1.75 0.67 117.51 118.74 1cff h ILE 9 Ca 0.01 -0.11 0.18 0.00 -0.00 0.00 0.00 64.86 64.94 1cff h ILE 9 Cb 0.87 0.27 -0.10 0.00 -0.00 0.00 0.00 36.82 37.86 1cff h ILE 9 CO 0.07 0.06 0.61 0.00 -0.00 0.00 0.00 178.15 178.89 1cff h ALA 10 N 1.60 1.64 -0.94 0.18 0.00 -1.26 1.44 119.26 121.93 1cff h ALA 10 Ca 0.48 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.52 1cff h ALA 10 Cb 1.31 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1cff h ALA 10 CO -0.16 -0.01 0.60 0.93 0.00 0.00 0.00 179.25 180.61 1cff h GLU 11 N 0.79 1.06 -0.75 0.00 4.39 0.27 1.37 114.58 121.72 1cff h GLU 11 Ca 0.57 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.20 1cff h GLU 11 Cb 0.84 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 1cff h GLU 11 CO -0.37 0.70 0.47 0.35 -1.16 0.00 0.00 179.01 179.01 1cff h PHE 12 N 1.10 0.97 -0.61 4.33 3.57 0.19 -0.77 116.94 125.71 1cff h PHE 12 Ca 0.41 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.85 1cff h PHE 12 Cb 0.16 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1cff h PHE 12 CO -0.01 0.63 0.12 -0.22 -2.23 0.00 0.00 178.31 176.60 1cff h LYS 13 N 1.03 1.00 -0.98 1.11 3.64 0.43 0.64 116.57 123.45 1cff h LYS 13 Ca 0.27 -0.26 0.25 0.00 -1.27 0.00 0.00 60.65 59.64 1cff h LYS 13 Cb -0.07 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.56 1cff h LYS 13 CO -0.05 0.93 0.65 0.93 -2.27 0.00 0.00 179.45 179.64 1cff h GLU 14 N 0.91 0.31 0.00 1.90 5.08 0.29 0.70 114.58 123.77 1cff h GLU 14 Ca 0.19 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1cff h GLU 14 Cb 0.40 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1cff h GLU 14 CO 0.01 0.20 -0.16 0.00 -1.00 0.00 0.00 179.01 178.06 1cff h ALA 15 N 1.59 0.03 -0.54 3.43 0.00 -1.14 -2.59 119.26 120.03 1cff h ALA 15 Ca 0.52 -0.40 0.16 0.00 0.00 0.00 0.00 54.91 55.18 1cff h ALA 15 Cb 1.45 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1cff h ALA 15 CO -0.18 0.10 0.79 0.35 0.00 0.00 0.00 179.25 180.31 1cff h PHE 16 N -1.00 0.00 0.07 0.00 3.57 0.88 2.69 116.94 123.15 1cff h PHE 16 Ca -0.03 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.12 1cff h PHE 16 Cb 0.66 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1cff h PHE 16 CO 0.14 0.00 -1.92 0.45 -2.23 0.00 0.00 178.31 174.74 1cff n SER 17 N -3.27 1.63 0.13 0.41 2.88 0.23 -3.54 113.62 112.09 1cff n SER 17 Ca 0.11 0.26 -0.24 0.00 -1.33 0.00 0.00 58.87 57.67 1cff n SER 17 Cb 0.98 -0.52 -0.15 0.00 -0.75 0.00 0.00 64.21 63.76 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 0.04 0.86 -2.17 2.46 4.07 0.56 -3.12 115.31 118.01 1cff h LEU 18 Ca -0.38 -0.89 0.07 0.00 0.08 0.00 0.00 57.88 56.75 1cff h LEU 18 Cb 2.03 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 43.48 1cff h LEU 18 CO 0.08 1.69 0.23 0.15 -1.08 0.00 0.00 178.44 179.50 1cff h PHE 19 N 0.17 0.00 0.00 1.13 3.04 0.42 0.53 116.94 122.23 1cff h PHE 19 Ca -0.24 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.58 1cff h PHE 19 Cb 2.10 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.59 1cff h PHE 19 CO 0.13 0.00 -0.62 0.22 -2.02 0.00 0.00 178.31 176.02 1cff h ASP 20 N 0.00 0.00 -6.38 0.41 3.58 -1.59 -3.46 116.42 108.99 1cff h ASP 20 Ca 0.11 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 57.09 1cff h ASP 20 Cb 0.56 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.66 1cff h ASP 20 CO -0.00 0.62 -0.94 1.17 -2.88 0.00 0.00 179.24 177.21 1cff n LYS 21 N -3.52 -1.62 0.00 0.28 4.81 0.18 -4.67 118.16 113.62 1cff n LYS 21 Ca -0.00 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1cff n LYS 21 Cb 0.68 -4.03 0.00 0.00 0.02 0.00 0.00 35.03 31.70 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 -2.69 0.00 -0.66 3.14 5.68 -1.26 -5.00 116.55 115.76 1cff n ASP 22 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 1cff n ASP 22 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 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 -0.33 0.49 0.05 6.12 0.00 -1.26 -5.01 105.19 105.24 1cff n GLY 23 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 1cff n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cff n ASP 24 N -0.66 2.37 0.00 1.61 2.03 -1.26 -5.01 116.55 115.63 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 0.32 0.82 0.00 0.00 -0.72 0.00 0.00 41.12 41.54 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 2.31 0.58 3.44 0.27 0.00 -1.26 -5.04 105.19 105.49 1cff n GLY 25 Ca -0.16 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.49 -0.62 2.61 -4.23 -1.26 -4.62 115.64 105.03 1cff s THR 26 Ca 0.00 0.07 -0.21 0.00 -1.18 0.00 0.00 61.69 60.37 1cff s THR 26 Cb 0.00 -0.81 0.08 0.00 1.34 0.00 0.00 72.50 73.11 1cff s THR 26 CO 0.00 0.03 0.86 -0.63 -0.54 0.00 0.00 174.62 174.34 1cff s ILE 27 N 2.26 4.52 0.10 2.99 -1.09 -0.82 -4.89 121.20 124.27 1cff s ILE 27 Ca -0.06 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 57.86 1cff s ILE 27 Cb -0.10 -4.59 0.01 0.00 -1.58 0.00 0.00 42.46 36.21 1cff s ILE 27 CO -0.16 -1.29 0.11 0.41 -1.23 0.00 0.00 174.94 172.78 1cff n THR 28 N 5.81 0.00 0.30 2.92 -1.04 -1.26 -2.38 114.28 118.63 1cff n THR 28 Ca -0.05 -0.37 0.18 0.00 -2.04 0.00 0.00 64.05 61.77 1cff n THR 28 Cb 0.45 -0.65 0.93 0.00 -1.82 0.00 0.00 70.33 69.23 1cff n THR 28 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1cff h THR 29 N 0.29 0.17 0.46 12.58 1.35 -1.96 -1.87 112.91 123.94 1cff h THR 29 Ca -0.06 -0.29 -0.02 0.00 -0.55 0.00 0.00 66.41 65.49 1cff h THR 29 Cb 0.23 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1cff h THR 29 CO 0.08 0.03 -0.22 0.50 -0.25 0.00 0.00 175.52 175.67 1cff h LYS 30 N 0.00 -0.59 -0.07 4.72 3.64 -1.96 1.08 116.57 123.39 1cff h LYS 30 Ca -0.00 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1cff h LYS 30 Cb 0.24 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1cff h LYS 30 CO 0.00 -0.39 0.00 1.05 -2.27 0.00 0.00 179.45 177.84 1cff h GLU 31 N -0.64 0.12 -0.78 1.90 9.09 -1.82 0.13 114.58 122.59 1cff h GLU 31 Ca -0.06 -0.04 0.03 0.00 0.05 0.00 0.00 59.36 59.33 1cff h GLU 31 Cb 0.47 -0.01 -0.05 0.00 -1.65 0.00 0.00 28.75 27.51 1cff h GLU 31 CO 0.10 0.39 0.50 1.25 0.05 0.00 0.00 179.01 181.30 1cff h LEU 32 N -0.16 0.83 -0.77 3.06 6.46 -1.43 -1.84 115.31 121.47 1cff h LEU 32 Ca 0.02 -0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.67 1cff h LEU 32 Cb 0.33 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 1cff h LEU 32 CO 0.00 0.58 -0.14 1.23 -0.62 0.00 0.00 178.44 179.49 1cff h GLY 33 N 0.98 0.84 0.49 3.75 0.00 0.14 -2.52 103.07 106.75 1cff h GLY 33 Ca 0.30 -0.66 0.15 0.00 0.00 0.00 0.00 47.33 47.13 1cff h GLY 33 CO -0.10 0.60 0.57 -0.84 0.00 0.00 0.00 176.54 176.78 1cff h THR 34 N 0.69 0.81 -0.00 4.70 2.02 0.12 0.30 112.91 121.55 1cff h THR 34 Ca 0.11 -0.22 -0.17 0.00 0.77 0.00 0.00 66.41 66.90 1cff h THR 34 Cb 0.63 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1cff h THR 34 CO 0.04 0.12 -0.78 0.58 0.37 0.00 0.00 175.52 175.85 1cff h VAL 35 N 0.65 1.56 0.00 3.16 2.07 -1.14 0.21 116.25 122.76 1cff h VAL 35 Ca 0.45 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1cff h VAL 35 Cb 0.79 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1cff h VAL 35 CO -0.21 0.77 0.00 0.23 0.02 0.00 0.00 177.57 178.38 1cff n MET 36 N -3.61 0.16 -0.06 1.57 2.81 0.95 -1.64 117.12 117.29 1cff n MET 36 Ca -0.01 0.36 -0.09 0.00 -1.81 0.00 0.00 57.70 56.15 1cff n MET 36 Cb 0.76 -1.79 -0.05 0.00 -0.71 0.00 0.00 33.22 31.42 1cff n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1cff n ARG 37 N -2.09 0.30 0.11 0.03 5.12 -0.62 -0.65 116.66 118.86 1cff n ARG 37 Ca 0.03 0.08 0.11 0.00 -1.93 0.00 0.00 57.85 56.13 1cff n ARG 37 Cb 0.24 -1.20 0.46 0.00 -1.16 0.00 0.00 32.46 30.81 1cff n ARG 37 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1cff n SER 38 N -2.97 0.55 0.00 0.55 7.64 0.72 -2.42 113.62 117.69 1cff n SER 38 Ca -0.22 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1cff n SER 38 Cb 0.72 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.12 0.60 -3.77 -3.43 7.99 -0.65 -5.01 117.00 110.60 1cff n LEU 39 Ca 0.02 -0.60 -0.27 0.00 -0.01 0.00 0.00 56.01 55.15 1cff n LEU 39 Cb 0.19 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.55 1cff n LEU 39 CO 0.17 0.15 0.14 0.61 -1.51 0.00 0.00 177.39 176.95 1cff n GLY 40 N -0.03 -0.49 2.71 -0.72 0.00 -1.02 -4.86 105.19 100.78 1cff n GLY 40 Ca 0.00 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1cff n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cff n GLN 41 N -4.74 3.99 -3.80 1.61 1.13 0.18 -4.70 117.38 111.05 1cff n GLN 41 Ca -0.01 -3.48 -0.34 0.00 -1.94 0.00 0.00 57.00 51.23 1cff n GLN 41 Cb 0.56 -2.81 0.03 0.00 0.11 0.00 0.00 30.24 28.13 1cff n GLN 41 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1cff n ASN 42 N 3.04 -4.45 -4.60 1.08 5.03 -1.26 -4.69 115.26 109.41 1cff n ASN 42 Ca 0.49 -1.08 -0.43 0.00 0.87 0.00 0.00 54.58 54.43 1cff n ASN 42 Cb 0.32 -2.96 -0.02 0.00 -1.02 0.00 0.00 39.78 36.09 1cff n ASN 42 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1cff s PRO 43 N -6.37 3.51 0.38 3.52 0.04 -1.19 -4.87 135.00 130.02 1cff s PRO 43 Ca 0.42 0.85 0.04 0.00 0.04 0.00 0.00 61.00 62.35 1cff s PRO 43 Cb -0.17 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 1cff s PRO 43 CO 0.89 -1.65 0.10 0.95 0.04 0.00 0.00 177.00 177.32 1cff s THR 44 N 5.62 0.82 -0.01 1.26 -4.23 -1.26 -5.02 115.64 112.82 1cff s THR 44 Ca 0.60 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.17 1cff s THR 44 Cb -0.13 -2.49 -0.24 0.00 1.34 0.00 0.00 72.50 70.98 1cff s THR 44 CO 0.31 0.00 0.79 -0.33 -0.54 0.00 0.00 174.62 174.86 1cff h GLU 45 N 1.89 0.08 0.10 3.99 3.07 -2.01 -3.36 114.58 118.34 1cff h GLU 45 Ca -0.38 -0.14 -0.35 0.00 -0.50 0.00 0.00 59.36 57.99 1cff h GLU 45 Cb 1.27 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.20 1cff h GLU 45 CO 0.62 0.80 -1.95 0.00 -1.40 0.00 0.00 179.01 177.08 1cff n ALA 46 N -2.58 0.99 0.52 3.43 0.00 -1.26 -3.83 120.51 117.78 1cff n ALA 46 Ca -0.15 -0.62 -0.21 0.00 0.00 0.00 0.00 53.44 52.46 1cff n ALA 46 Cb 1.03 -0.71 -0.10 0.00 0.00 0.00 0.00 19.45 19.67 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 0.06 -1.28 -0.95 0.00 4.81 -1.92 0.74 114.58 116.03 1cff h GLU 47 Ca -0.40 0.09 0.23 0.00 -0.13 0.00 0.00 59.36 59.15 1cff h GLU 47 Cb 2.03 0.29 -0.07 0.00 0.63 0.00 0.00 28.75 31.63 1cff h GLU 47 CO 0.09 -0.86 0.63 1.37 -0.73 0.00 0.00 179.01 179.51 1cff h LEU 48 N -1.33 0.38 -0.72 1.64 8.10 -1.79 1.70 115.31 123.29 1cff h LEU 48 Ca -0.13 0.05 -0.12 0.00 0.11 0.00 0.00 57.88 57.78 1cff h LEU 48 Cb 1.03 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 41.22 1cff h LEU 48 CO 0.21 0.13 -0.36 -0.61 -4.11 0.00 0.00 178.44 173.70 1cff h GLN 49 N 0.36 0.58 -0.00 0.17 5.75 -1.48 0.22 115.11 120.71 1cff h GLN 49 Ca 0.50 -0.27 -0.17 0.00 -0.15 0.00 0.00 58.65 58.56 1cff h GLN 49 Cb 1.33 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.86 1cff h GLN 49 CO -0.19 0.85 -0.80 0.22 -2.65 0.00 0.00 178.83 176.27 1cff h ASP 50 N 0.49 0.04 1.19 -0.69 3.58 0.82 0.22 116.42 122.06 1cff h ASP 50 Ca 0.05 -0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.37 1cff h ASP 50 Cb 0.85 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 1cff h ASP 50 CO 0.07 0.82 -0.49 -0.03 -2.88 0.00 0.00 179.24 176.73 1cff h MET 51 N 0.02 0.00 0.01 0.28 4.05 0.23 -2.04 114.93 117.47 1cff h MET 51 Ca -0.01 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.19 1cff h MET 51 Cb 1.40 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.17 1cff h MET 51 CO 0.11 0.49 -1.20 0.82 0.23 0.00 0.00 176.91 177.36 1cff h ILE 52 N 0.00 0.97 0.00 1.77 1.08 -0.45 -3.35 117.51 117.53 1cff h ILE 52 Ca -0.00 -2.20 0.00 0.00 -0.39 0.00 0.00 64.86 62.26 1cff h ILE 52 Cb 1.22 2.33 0.00 0.00 -3.07 0.00 0.00 36.82 37.30 1cff h ILE 52 CO 0.06 0.37 0.00 0.78 -0.69 0.00 0.00 178.15 178.67 1cff h ASN 53 N -0.93 0.00 -0.11 1.72 4.21 -0.68 -1.31 115.58 118.49 1cff h ASN 53 Ca -0.33 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.15 1cff h ASN 53 Cb 1.33 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.53 1cff h ASN 53 CO -0.17 0.00 -0.05 -0.33 -1.29 0.00 0.00 177.43 175.58 1cff h GLU 54 N 0.00 0.23 0.00 0.81 4.39 -1.52 -3.21 114.58 115.28 1cff h GLU 54 Ca 0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1cff h GLU 54 Cb 0.36 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1cff h GLU 54 CO 0.00 0.58 -0.52 -0.24 -1.16 0.00 0.00 179.01 177.67 1cff h VAL 55 N -0.14 0.00 0.00 3.13 3.04 -1.66 -3.40 116.25 117.22 1cff h VAL 55 Ca 0.02 -0.80 -0.39 0.00 -1.01 0.00 0.00 66.70 64.53 1cff h VAL 55 Cb 0.51 1.51 0.03 0.00 -2.01 0.00 0.00 31.29 31.33 1cff h VAL 55 CO 0.02 0.00 2.18 0.47 -1.01 0.00 0.00 177.57 179.22 1cff n ASP 56 N -2.58 3.23 -0.11 3.17 8.00 -0.51 -4.55 116.55 123.20 1cff n ASP 56 Ca 0.03 -2.36 0.16 0.00 0.71 0.00 0.00 54.79 53.32 1cff n ASP 56 Cb 0.50 -0.96 0.55 0.00 -0.02 0.00 0.00 41.12 41.19 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 7.22 2.19 0.00 2.24 0.00 -1.82 -0.94 119.26 128.15 1cff h ALA 57 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1cff h ALA 57 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1cff h ALA 57 CO 1.53 -0.37 -1.29 -0.40 0.00 0.00 0.00 179.25 178.72 1cff n ASP 58 N -4.45 1.58 -4.05 0.00 5.68 -1.26 -5.00 116.55 109.05 1cff n ASP 58 Ca 0.13 -0.24 -0.34 0.00 -0.50 0.00 0.00 54.79 53.83 1cff n ASP 58 Cb 0.52 1.42 -0.07 0.00 -1.14 0.00 0.00 41.12 41.85 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 1.62 -0.30 0.22 6.12 0.00 -0.36 -4.79 105.19 107.70 1cff n GLY 59 Ca -0.01 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.82 0.91 0.00 1.61 -1.07 -1.94 -3.42 115.58 110.85 1cff h ASN 60 Ca -0.51 -0.60 -0.15 0.00 0.07 0.00 0.00 56.30 55.10 1cff h ASN 60 Cb 1.17 -0.27 -0.12 0.00 -2.07 0.00 0.00 38.32 37.03 1cff h ASN 60 CO 0.73 1.40 -0.18 0.61 0.07 0.00 0.00 177.43 180.06 1cff n GLY 61 N 0.71 0.85 3.60 9.14 0.00 -1.26 -5.15 105.19 113.07 1cff n GLY 61 Ca -0.07 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.86 1cff n GLY 61 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cff n THR 62 N -0.78 0.00 -1.67 2.61 5.66 -1.26 -4.81 114.28 114.03 1cff n THR 62 Ca -0.12 0.00 -0.55 0.00 -3.05 0.00 0.00 64.05 60.33 1cff n THR 62 Cb 0.78 -0.02 -0.07 0.00 -1.55 0.00 0.00 70.33 69.47 1cff n THR 62 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1cff n ILE 63 N -0.76 0.22 -4.28 1.09 2.08 -1.00 -4.82 119.36 111.89 1cff n ILE 63 Ca 0.00 -0.04 -0.22 0.00 0.56 0.00 0.00 62.75 63.05 1cff n ILE 63 Cb 0.03 -1.14 -0.12 0.00 -0.75 0.00 0.00 39.64 37.67 1cff n ILE 63 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1cff s ASP 64 N 2.56 2.44 0.32 4.38 1.47 -1.26 -1.94 116.67 124.64 1cff s ASP 64 Ca 0.93 -0.74 0.09 0.00 1.18 0.00 0.00 52.55 54.02 1cff s ASP 64 Cb -1.01 -0.13 0.96 0.00 -0.34 0.00 0.00 42.92 42.40 1cff s ASP 64 CO 0.58 0.00 1.49 0.33 0.68 0.00 0.00 175.17 178.26 1cff n PHE 65 N 0.84 0.81 0.15 2.11 7.35 -1.26 -0.58 117.46 126.89 1cff n PHE 65 Ca -0.18 1.13 -0.11 0.00 -0.76 0.00 0.00 57.45 57.53 1cff n PHE 65 Cb 0.55 -1.34 -0.07 0.00 0.35 0.00 0.00 39.48 38.97 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 -0.43 -0.36 -7.13 0.11 -1.98 -2.22 132.00 119.99 1cff h PRO 66 Ca 0.67 0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.74 1cff h PRO 66 Cb 1.58 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.77 1cff h PRO 66 CO -0.83 -0.11 -0.05 1.05 -0.21 0.00 0.00 178.00 177.86 1cff h GLU 67 N -0.94 0.66 -0.61 1.05 4.11 -1.77 -2.07 114.58 115.02 1cff h GLU 67 Ca -0.05 -0.23 -0.02 0.00 0.07 0.00 0.00 59.36 59.13 1cff h GLU 67 Cb 0.52 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1cff h GLU 67 CO 0.07 0.80 0.28 0.35 0.07 0.00 0.00 179.01 180.58 1cff h PHE 68 N 0.46 0.86 0.18 2.06 3.04 -0.98 1.01 116.94 123.57 1cff h PHE 68 Ca 0.10 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1cff h PHE 68 Cb 0.53 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1cff h PHE 68 CO 0.04 0.64 -0.09 1.25 -2.02 0.00 0.00 178.31 178.14 1cff h LEU 69 N 0.86 -0.21 0.02 0.59 5.85 -1.21 -2.79 115.31 118.42 1cff h LEU 69 Ca 0.21 -0.11 -0.27 0.00 0.84 0.00 0.00 57.88 58.55 1cff h LEU 69 Cb 0.11 0.05 0.02 0.00 0.37 0.00 0.00 40.66 41.22 1cff h LEU 69 CO -0.03 -0.02 -1.10 0.71 -0.34 0.00 0.00 178.44 177.67 1cff h THR 70 N -0.39 1.30 -0.22 1.05 1.35 -1.17 -2.23 112.91 112.60 1cff h THR 70 Ca -0.02 -2.35 0.05 0.00 -0.55 0.00 0.00 66.41 63.53 1cff h THR 70 Cb 0.30 2.48 -0.07 0.00 -1.73 0.00 0.00 68.15 69.13 1cff h THR 70 CO 0.04 0.72 -0.48 -0.03 -0.25 0.00 0.00 175.52 175.52 1cff h MET 71 N 0.34 -0.46 -0.00 4.72 1.85 0.10 0.14 114.93 121.61 1cff h MET 71 Ca -0.14 0.03 -0.24 0.00 -0.61 0.00 0.00 59.70 58.74 1cff h MET 71 Cb 1.75 0.11 0.01 0.00 0.43 0.00 0.00 31.60 33.90 1cff h MET 71 CO 0.21 -0.31 -0.97 1.98 -0.40 0.00 0.00 176.91 177.42 1cff h MET 72 N -0.48 0.52 0.00 0.39 1.85 -1.62 -3.17 114.93 112.42 1cff h MET 72 Ca 0.07 -0.55 0.00 0.00 -0.61 0.00 0.00 59.70 58.61 1cff h MET 72 Cb 0.64 0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.82 1cff h MET 72 CO -0.47 1.18 0.00 0.00 -0.40 0.00 0.00 176.91 177.22 1cff h ALA 73 N 0.62 1.00 -0.00 0.39 0.00 -1.04 -2.07 119.26 118.16 1cff h ALA 73 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1cff h ALA 73 Cb 1.61 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1cff h ALA 73 CO 0.18 0.00 -0.87 -0.09 0.00 0.00 0.00 179.25 178.47 1cff h ARG 74 N 0.00 0.24 0.67 0.00 2.43 -0.70 -3.34 114.38 113.67 1cff h ARG 74 Ca 0.00 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 58.88 1cff h ARG 74 Cb 0.14 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1cff h ARG 74 CO 0.00 0.97 -0.32 -0.22 -1.51 0.00 0.00 179.97 178.89 1cff h LYS 75 N 0.14 -0.86 -1.76 0.20 3.64 -1.50 -3.50 116.57 112.93 1cff h LYS 75 Ca -0.05 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.54 1cff h LYS 75 Cb 1.49 0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 33.42 1cff h LYS 75 CO 0.14 -0.57 -0.61 -1.33 -2.27 0.00 0.00 179.45 174.80 1cff n MET 76 N -5.37 -1.72 -4.71 1.90 2.81 -1.22 -4.97 117.12 103.84 1cff n MET 76 Ca -0.11 1.40 -0.27 0.00 -1.81 0.00 0.00 57.70 56.90 1cff n MET 76 Cb 0.36 -1.94 -0.17 0.00 -0.71 0.00 0.00 33.22 30.75 1cff n MET 76 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1cff s LYS 77 N -3.82 2.13 0.00 0.03 2.36 -1.26 -5.13 119.74 114.05 1cff s LYS 77 Ca 0.00 -0.55 0.00 0.00 -2.55 0.00 0.00 55.97 52.87 1cff s LYS 77 Cb 0.00 -1.72 0.00 0.00 -1.05 0.00 0.00 37.83 35.06 1cff s LYS 77 CO 0.00 0.05 0.00 -0.40 1.55 0.00 0.00 175.35 176.55 1cff n ASP 78 N 3.82 0.00 -3.81 1.43 5.75 -1.26 -5.12 116.55 117.36 1cff n ASP 78 Ca -0.21 -0.16 -0.13 0.00 -0.01 0.00 0.00 54.79 54.28 1cff n ASP 78 Cb 0.52 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.48 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 0.53 -0.00 0.00 2.12 -1.32 -1.26 -5.15 115.64 110.56 1cff s THR 79 Ca 0.00 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1cff s THR 79 Cb 0.00 -0.24 0.00 0.00 -1.51 0.00 0.00 72.50 70.75 1cff s THR 79 CO 0.00 0.00 0.00 -0.90 -2.21 0.00 0.00 174.62 171.51 1cff n ASP 80 N 3.05 0.00 -4.56 8.08 5.75 -1.26 -5.10 116.55 122.51 1cff n ASP 80 Ca -0.13 -0.10 -0.43 0.00 -0.01 0.00 0.00 54.79 54.12 1cff n ASP 80 Cb 0.58 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.64 1cff n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1cff n SER 81 N -0.03 2.84 -4.20 -1.12 7.64 -1.26 -4.89 113.62 112.61 1cff n SER 81 Ca 0.00 0.09 -0.37 0.00 1.01 0.00 0.00 58.87 59.60 1cff n SER 81 Cb 0.00 -1.51 0.04 0.00 -1.01 0.00 0.00 64.21 61.74 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 8.73 0.03 -0.07 1.43 2.13 -1.26 -4.93 120.64 126.69 1cff n GLU 82 Ca 0.34 0.02 -0.06 0.00 0.66 0.00 0.00 57.16 58.12 1cff n GLU 82 Cb 0.43 -1.23 -0.03 0.00 0.27 0.00 0.00 31.44 30.88 1cff n GLU 82 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1cff h GLU 83 N -0.64 0.00 0.00 5.31 5.08 -1.97 -3.32 114.58 119.04 1cff h GLU 83 Ca -0.43 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.70 1cff h GLU 83 Cb 1.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 1cff h GLU 83 CO 0.33 0.20 -1.34 0.39 -1.00 0.00 0.00 179.01 177.60 1cff n GLU 84 N -4.63 0.55 0.14 2.33 1.02 -1.26 -4.03 120.64 114.75 1cff n GLU 84 Ca -0.09 0.52 0.10 0.00 -0.02 0.00 0.00 57.16 57.67 1cff n GLU 84 Cb 0.26 -1.70 0.51 0.00 -0.02 0.00 0.00 31.44 30.50 1cff n GLU 84 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1cff n ILE 85 N -4.43 1.13 -0.54 -3.67 5.41 -1.26 -2.88 119.36 113.12 1cff n ILE 85 Ca -0.32 0.67 0.42 0.00 1.00 0.00 0.00 62.75 64.53 1cff n ILE 85 Cb 0.65 -1.66 0.67 0.00 -0.71 0.00 0.00 39.64 38.58 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 -2.17 -0.01 0.04 0.38 0.63 -1.25 0.18 116.66 114.47 1cff n ARG 86 Ca -0.01 0.98 -0.11 0.00 -0.92 0.00 0.00 57.85 57.79 1cff n ARG 86 Cb 0.05 -2.14 -0.08 0.00 0.45 0.00 0.00 32.46 30.74 1cff n ARG 86 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1cff h GLU 87 N 0.00 -0.18 -0.23 -0.14 4.57 -1.83 0.19 114.58 116.97 1cff h GLU 87 Ca 0.79 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.97 1cff h GLU 87 Cb 2.98 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 31.60 1cff h GLU 87 CO -0.14 0.27 0.06 0.00 -1.18 0.00 0.00 179.01 178.02 1cff h ALA 88 N -0.26 1.69 -0.47 2.92 0.00 0.14 1.24 119.26 124.51 1cff h ALA 88 Ca -0.02 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1cff h ALA 88 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1cff h ALA 88 CO 0.03 0.24 -0.08 0.35 0.00 0.00 0.00 179.25 179.80 1cff h PHE 89 N 0.32 0.99 0.00 0.00 3.57 0.20 -0.11 116.94 121.91 1cff h PHE 89 Ca 0.08 -0.20 -0.14 0.00 3.53 0.00 0.00 57.97 61.24 1cff h PHE 89 Cb 0.12 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1cff h PHE 89 CO 0.00 0.96 -0.83 0.00 -2.23 0.00 0.00 178.31 176.21 1cff h ARG 90 N 0.74 0.00 -0.14 1.11 3.08 0.29 -2.04 114.38 117.42 1cff h ARG 90 Ca 0.12 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 1cff h ARG 90 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1cff h ARG 90 CO 0.04 0.51 -0.37 0.28 -1.07 0.00 0.00 179.97 179.36 1cff h VAL 91 N 0.00 1.29 0.00 2.04 2.07 0.17 -3.10 116.25 118.73 1cff h VAL 91 Ca -0.05 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1cff h VAL 91 Cb 1.50 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1cff h VAL 91 CO 0.07 0.43 -1.13 0.33 0.02 0.00 0.00 177.57 177.29 1cff n PHE 92 N -4.06 0.01 0.22 1.57 -0.00 -0.07 -4.23 117.46 110.90 1cff n PHE 92 Ca -0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.55 1cff n PHE 92 Cb 0.46 -0.10 0.28 0.00 -0.00 0.00 0.00 39.48 40.12 1cff n PHE 92 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1cff h ASP 93 N 0.00 0.00 -3.70 -2.13 1.82 -1.29 -3.43 116.42 107.69 1cff h ASP 93 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1cff h ASP 93 Cb 0.58 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 1cff h ASP 93 CO 0.00 0.10 -0.03 1.17 -1.61 0.00 0.00 179.24 178.87 1cff n LYS 94 N -3.15 -2.22 0.00 0.28 4.81 -1.22 -2.97 118.16 113.69 1cff n LYS 94 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1cff n LYS 94 Cb 0.51 -2.93 0.00 0.00 0.02 0.00 0.00 35.03 32.63 1cff n LYS 94 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1cff n ASP 95 N -0.99 0.00 0.00 3.14 5.75 -1.26 -4.94 116.55 118.24 1cff n ASP 95 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1cff n ASP 95 Cb 0.32 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1cff n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cff n GLY 96 N 0.00 1.43 2.08 6.12 0.00 -1.16 -5.12 105.19 108.55 1cff n GLY 96 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.59 0.00 1.61 4.13 -1.26 -5.05 115.26 113.10 1cff n ASN 97 Ca 0.00 0.51 0.00 0.00 1.68 0.00 0.00 54.58 56.77 1cff n ASN 97 Cb 0.00 1.63 0.00 0.00 -1.54 0.00 0.00 39.78 39.87 1cff n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cff n GLY 98 N 0.06 0.97 3.44 7.41 0.00 -1.26 -5.13 105.19 110.68 1cff n GLY 98 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1cff n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cff s TYR 99 N 0.00 2.42 -0.83 1.61 2.02 -1.26 -2.76 117.35 118.55 1cff s TYR 99 Ca 0.00 -0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.32 1cff s TYR 99 Cb 0.00 -1.29 0.21 0.00 -0.40 0.00 0.00 41.96 40.48 1cff s TYR 99 CO 0.00 0.37 0.72 0.42 -1.57 0.00 0.00 175.55 175.48 1cff s ILE 100 N -1.12 4.64 0.03 2.71 1.01 -1.08 -4.95 121.20 122.44 1cff s ILE 100 Ca 0.16 -3.24 -0.08 0.00 0.00 0.00 0.00 60.65 57.50 1cff s ILE 100 Cb -0.10 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1cff s ILE 100 CO 0.08 -1.02 1.12 0.28 0.00 0.00 0.00 174.94 175.40 1cff h SER 101 N 6.78 -0.41 0.00 3.58 0.02 -1.95 -3.41 113.55 118.15 1cff h SER 101 Ca 0.10 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1cff h SER 101 Cb 0.91 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1cff h SER 101 CO 0.81 -0.10 0.00 0.00 -1.14 0.00 0.00 176.83 176.40 1cff n ALA 102 N -2.76 0.00 -0.25 3.77 0.00 -1.26 -4.94 120.51 115.07 1cff n ALA 102 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 1cff n ALA 102 Cb 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.59 0.17 0.00 0.00 -1.98 1.12 119.26 117.98 1cff h ALA 103 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1cff h ALA 103 Cb 0.00 1.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1cff h ALA 103 CO 0.00 -0.89 -0.40 0.93 0.00 0.00 0.00 179.25 178.89 1cff h GLU 104 N -0.16 -0.65 -0.92 0.00 5.08 -1.90 0.41 114.58 116.45 1cff h GLU 104 Ca 0.10 0.04 0.25 0.00 -1.00 0.00 0.00 59.36 58.76 1cff h GLU 104 Cb 0.43 0.15 -0.16 0.00 0.50 0.00 0.00 28.75 29.66 1cff h GLU 104 CO -0.68 -0.43 0.11 -0.07 -1.00 0.00 0.00 179.01 176.95 1cff h LEU 105 N -0.67 -0.28 0.25 1.33 -0.00 -1.32 1.38 115.31 116.01 1cff h LEU 105 Ca 0.01 0.24 -0.01 0.00 -0.00 0.00 0.00 57.88 58.12 1cff h LEU 105 Cb 0.68 0.39 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 1cff h LEU 105 CO -0.20 -0.27 -0.12 0.03 -0.00 0.00 0.00 178.44 177.87 1cff h ARG 106 N 0.08 -0.33 0.53 1.13 2.47 0.23 -2.39 114.38 116.11 1cff h ARG 106 Ca 0.57 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 59.29 1cff h ARG 106 Cb 1.17 0.07 0.01 0.00 -1.65 0.00 0.00 29.97 29.57 1cff h ARG 106 CO -0.80 -0.22 -0.25 1.25 0.56 0.00 0.00 179.97 180.51 1cff h HIS 107 N -0.50 -0.66 -0.67 3.04 2.76 -0.48 0.61 115.15 119.24 1cff h HIS 107 Ca -0.03 -0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.23 1cff h HIS 107 Cb 0.26 0.22 -0.08 0.00 1.55 0.00 0.00 27.41 29.36 1cff h HIS 107 CO 0.08 -0.34 0.27 0.28 -1.30 0.00 0.00 177.93 176.92 1cff h VAL 108 N -1.06 0.75 0.00 5.26 2.07 0.17 0.13 116.25 123.57 1cff h VAL 108 Ca -0.07 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1cff h VAL 108 Cb 0.62 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1cff h VAL 108 CO 0.12 0.08 -0.49 0.80 0.02 0.00 0.00 177.57 178.10 1cff n MET 109 N -4.97 0.29 0.05 1.57 0.00 -0.90 -2.04 117.12 111.13 1cff n MET 109 Ca 0.11 0.12 -0.01 0.00 0.00 0.00 0.00 57.70 57.92 1cff n MET 109 Cb 0.31 -1.72 -0.07 0.00 0.00 0.00 0.00 33.22 31.75 1cff n MET 109 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1cff h THR 110 N 0.00 0.72 0.00 1.12 2.02 -0.15 -3.20 112.91 113.42 1cff h THR 110 Ca 0.00 -2.24 -0.25 0.00 0.77 0.00 0.00 66.41 64.69 1cff h THR 110 Cb 0.75 2.23 -0.04 0.00 -1.74 0.00 0.00 68.15 69.35 1cff h THR 110 CO 0.00 0.41 -1.39 -1.13 0.37 0.00 0.00 175.52 173.78 1cff h ASN 111 N 0.00 0.00 -0.57 4.18 -0.73 -0.83 -3.14 115.58 114.49 1cff h ASN 111 Ca -0.13 0.00 0.11 0.00 1.87 0.00 0.00 56.30 58.15 1cff h ASN 111 Cb 1.61 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 40.16 1cff h ASN 111 CO 0.06 0.94 0.39 0.25 -0.37 0.00 0.00 177.43 178.70 1cff h LEU 112 N 0.00 0.29 0.00 0.34 6.46 -1.50 -3.43 115.31 117.46 1cff h LEU 112 Ca -0.17 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1cff h LEU 112 Cb 1.87 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.75 1cff h LEU 112 CO 0.09 0.17 0.00 0.61 -0.62 0.00 0.00 178.44 178.69 1cff n GLY 113 N -1.54 0.00 3.64 3.75 0.00 -1.25 -5.10 105.19 104.69 1cff n GLY 113 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 1.93 -0.41 1.61 0.41 -1.19 -5.05 118.70 116.00 1cff s GLU 114 Ca 0.00 -1.48 0.10 0.00 -0.41 0.00 0.00 54.97 53.18 1cff s GLU 114 Cb 0.00 0.52 0.41 0.00 -1.78 0.00 0.00 34.13 33.29 1cff s GLU 114 CO 0.00 -0.85 0.99 0.36 -0.49 0.00 0.00 175.26 175.28 1cff n LYS 115 N -0.51 2.39 -1.52 1.61 -0.00 -1.26 -4.13 118.16 114.74 1cff n LYS 115 Ca -0.03 -4.03 -0.30 0.00 -0.00 0.00 0.00 58.31 53.95 1cff n LYS 115 Cb 0.61 -1.86 -0.13 0.00 -0.00 0.00 0.00 35.03 33.65 1cff n LYS 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1cff n LEU 116 N -0.23 0.59 -4.49 -5.58 4.77 -1.26 -4.88 117.00 105.92 1cff n LEU 116 Ca 0.27 -0.48 -0.28 0.00 -0.03 0.00 0.00 56.01 55.48 1cff n LEU 116 Cb 0.67 -1.11 0.25 0.00 -2.33 0.00 0.00 43.42 40.90 1cff n LEU 116 CO 0.30 -1.46 0.52 0.42 -1.33 0.00 0.00 177.39 175.84 1cff s THR 117 N 8.55 2.01 0.57 -5.08 -4.23 -1.26 -4.31 115.64 111.90 1cff s THR 117 Ca 1.18 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.96 1cff s THR 117 Cb -0.69 -2.08 0.34 0.00 1.34 0.00 0.00 72.50 71.41 1cff s THR 117 CO 0.38 -0.00 2.16 -0.78 -0.54 0.00 0.00 174.62 175.84 1cff h ASP 118 N -2.63 0.00 0.07 3.99 3.58 -1.98 0.37 116.42 119.82 1cff h ASP 118 Ca -0.62 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 56.63 1cff h ASP 118 Cb 1.34 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.41 1cff h ASP 118 CO 0.51 0.00 -0.83 -0.33 -2.88 0.00 0.00 179.24 175.71 1cff h GLU 119 N 0.00 0.43 0.43 0.28 3.07 -1.98 -2.81 114.58 114.00 1cff h GLU 119 Ca 0.05 -0.56 -0.02 0.00 -0.50 0.00 0.00 59.36 58.33 1cff h GLU 119 Cb 0.25 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1cff h GLU 119 CO -0.00 1.22 -0.21 0.93 -1.40 0.00 0.00 179.01 179.55 1cff h GLU 120 N -0.09 -0.55 -0.96 2.33 4.39 -1.53 -2.15 114.58 116.02 1cff h GLU 120 Ca -0.12 0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.80 1cff h GLU 120 Cb 1.56 0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 30.25 1cff h GLU 120 CO 0.16 -0.26 0.61 -0.24 -1.16 0.00 0.00 179.01 178.12 1cff h VAL 121 N -1.02 0.73 0.25 3.13 3.04 -0.47 0.92 116.25 122.83 1cff h VAL 121 Ca -0.06 -0.22 -0.01 0.00 -1.01 0.00 0.00 66.70 65.40 1cff h VAL 121 Cb 0.55 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.85 1cff h VAL 121 CO 0.10 0.12 -0.12 -0.78 -1.01 0.00 0.00 177.57 175.87 1cff h ASP 122 N 0.65 -0.29 -0.27 3.17 3.58 -1.51 -2.82 116.42 118.93 1cff h ASP 122 Ca 0.52 0.01 0.08 0.00 0.42 0.00 0.00 57.03 58.06 1cff h ASP 122 Cb 0.95 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 1cff h ASP 122 CO -0.28 -0.12 0.28 -0.33 -2.88 0.00 0.00 179.24 175.90 1cff h GLU 123 N -0.50 0.00 0.59 0.28 4.39 -1.12 -2.11 114.58 116.11 1cff h GLU 123 Ca -0.03 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1cff h GLU 123 Cb 0.26 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1cff h GLU 123 CO 0.06 0.00 -0.28 1.98 -1.16 0.00 0.00 179.01 179.60 1cff h MET 124 N 0.00 -0.76 0.00 2.33 4.05 0.93 -0.45 114.93 121.02 1cff h MET 124 Ca 0.13 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1cff h MET 124 Cb 0.68 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 1cff h MET 124 CO -0.00 -0.51 0.00 0.82 0.23 0.00 0.00 176.91 177.45 1cff h ILE 125 N -0.80 0.00 -0.08 1.77 1.08 -1.21 -0.30 117.51 117.97 1cff h ILE 125 Ca -0.08 -0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.35 1cff h ILE 125 Cb 0.61 0.84 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1cff h ILE 125 CO 0.13 0.00 -0.10 0.03 -0.69 0.00 0.00 178.15 177.52 1cff h ARG 126 N 0.00 0.20 -0.15 2.37 -0.00 -0.82 0.30 114.38 116.28 1cff h ARG 126 Ca 0.00 -0.11 -0.10 0.00 -0.50 0.00 0.00 59.98 59.27 1cff h ARG 126 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 29.97 1cff h ARG 126 CO 0.00 0.66 -0.35 0.93 0.00 0.00 0.00 179.97 181.21 1cff h GLU 127 N -0.25 0.31 -0.44 0.04 3.07 0.34 -2.73 114.58 114.92 1cff h GLU 127 Ca 0.01 -0.13 -0.15 0.00 -0.50 0.00 0.00 59.36 58.59 1cff h GLU 127 Cb 0.64 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1cff h GLU 127 CO 0.02 0.62 -0.30 0.00 -1.40 0.00 0.00 179.01 177.96 1cff h ALA 128 N 1.37 0.63 -0.51 3.43 0.00 -0.99 -3.38 119.26 119.82 1cff h ALA 128 Ca 0.03 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 1cff h ALA 128 Cb 0.75 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1cff h ALA 128 CO 0.06 0.68 0.56 0.34 0.00 0.00 0.00 179.25 180.88 1cff s ASP 129 N -6.79 4.62 0.00 0.00 2.15 0.11 -4.77 116.67 111.99 1cff s ASP 129 Ca -0.11 -0.75 0.00 0.00 0.43 0.00 0.00 52.55 52.12 1cff s ASP 129 Cb 0.12 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1cff s ASP 129 CO 0.88 -3.32 0.20 -0.38 -0.17 0.00 0.00 175.17 172.37 1cff n ILE 130 N 8.21 0.00 -0.03 4.11 -0.00 -1.26 -4.30 119.36 126.10 1cff n ILE 130 Ca 0.43 0.61 -0.09 0.00 -0.00 0.00 0.00 62.75 63.70 1cff n ILE 130 Cb 0.46 -1.45 -0.02 0.00 -0.00 0.00 0.00 39.64 38.62 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 -0.77 -0.19 4.38 2.03 -1.97 -3.48 116.42 116.42 1cff h ASP 131 Ca 0.00 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1cff h ASP 131 Cb 0.00 0.35 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1cff h ASP 131 CO 0.00 -0.29 0.00 0.61 -1.03 0.00 0.00 179.24 178.53 1cff n GLY 132 N -1.37 0.66 0.03 7.15 0.00 -1.26 -5.04 105.19 105.35 1cff n GLY 132 Ca -0.02 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.04 1.24 0.00 1.61 9.92 -1.26 -4.97 116.55 123.05 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 0.01 1.48 0.00 0.00 -0.64 0.00 0.00 41.12 41.97 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 1.72 -0.12 3.90 0.44 0.00 -1.26 -5.11 105.19 104.76 1cff n GLY 134 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 1.18 -0.58 1.61 2.00 -1.26 -5.11 119.66 117.50 1cff s GLN 135 Ca 0.00 -0.76 -0.23 0.00 -2.00 0.00 0.00 55.36 52.37 1cff s GLN 135 Cb 0.00 0.33 0.05 0.00 0.80 0.00 0.00 33.01 34.19 1cff s GLN 135 CO 0.00 -0.55 0.90 0.54 -0.50 0.00 0.00 175.29 175.68 1cff s VAL 136 N -2.13 4.44 -0.14 1.34 0.11 -1.26 -4.80 120.40 117.97 1cff s VAL 136 Ca 0.23 -0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 59.06 1cff s VAL 136 Cb -0.02 -4.55 -0.04 0.00 -1.53 0.00 0.00 36.38 30.23 1cff s VAL 136 CO 0.04 -1.18 0.40 0.21 -3.33 0.00 0.00 175.10 171.25 1cff s ASN 137 N 3.10 6.58 0.46 3.54 2.47 -1.26 -2.62 114.94 127.21 1cff s ASN 137 Ca 0.25 0.69 0.32 0.00 0.42 0.00 0.00 52.86 54.53 1cff s ASN 137 Cb -0.15 -2.24 1.42 0.00 -1.45 0.00 0.00 41.25 38.83 1cff s ASN 137 CO 0.15 0.04 1.68 0.22 -3.72 0.00 0.00 177.10 175.47 1cff h TYR 138 N 6.73 0.39 -0.91 0.43 3.20 -1.92 0.82 116.97 125.71 1cff h TYR 138 Ca -0.41 0.02 0.21 0.00 3.14 0.00 0.00 58.73 61.69 1cff h TYR 138 Cb 1.17 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.28 1cff h TYR 138 CO 0.61 -0.08 0.60 1.05 -1.64 0.00 0.00 178.16 178.70 1cff h GLU 139 N 0.13 0.34 0.14 1.82 4.11 -1.92 0.32 114.58 119.52 1cff h GLU 139 Ca 0.74 -0.02 -0.34 0.00 0.07 0.00 0.00 59.36 59.81 1cff h GLU 139 Cb 2.46 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.63 1cff h GLU 139 CO -0.26 0.23 -1.80 0.93 0.07 0.00 0.00 179.01 178.17 1cff h GLU 140 N 0.35 0.30 -0.57 1.06 5.08 0.24 -2.40 114.58 118.65 1cff h GLU 140 Ca 0.47 -0.51 0.11 0.00 -1.00 0.00 0.00 59.36 58.42 1cff h GLU 140 Cb 1.26 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 30.61 1cff h GLU 140 CO -0.16 1.19 0.10 0.35 -1.00 0.00 0.00 179.01 179.49 1cff h PHE 141 N 0.08 0.16 0.01 4.33 3.04 -0.23 0.70 116.94 125.03 1cff h PHE 141 Ca -0.35 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.61 1cff h PHE 141 Cb 2.06 0.02 0.00 0.00 2.56 0.00 0.00 35.95 40.59 1cff h PHE 141 CO 0.08 -0.04 -0.08 -0.39 -2.02 0.00 0.00 178.31 175.86 1cff h VAL 142 N 0.23 1.70 -0.94 1.41 -1.51 -0.62 -2.72 116.25 113.80 1cff h VAL 142 Ca 0.29 -2.17 0.27 0.00 -1.23 0.00 0.00 66.70 63.87 1cff h VAL 142 Cb 0.43 3.16 -0.04 0.00 -2.13 0.00 0.00 31.29 32.71 1cff h VAL 142 CO -0.39 0.57 0.73 1.56 -1.23 0.00 0.00 177.57 178.81 1cff h GLN 143 N -0.84 0.00 0.20 5.19 4.20 -1.17 1.45 115.11 124.14 1cff h GLN 143 Ca -0.01 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.36 1cff h GLN 143 Cb 0.98 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.78 1cff h GLN 143 CO 0.02 0.00 -1.58 1.98 -0.67 0.00 0.00 178.83 178.58 1cff h MET 144 N 0.00 0.42 0.00 1.46 4.05 -0.90 -3.29 114.93 116.66 1cff h MET 144 Ca 0.45 -0.71 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1cff h MET 144 Cb 1.90 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 32.97 1cff h MET 144 CO -0.00 1.32 -0.25 -0.12 0.23 0.00 0.00 176.91 178.09 1cff n MET 145 N -3.61 0.21 0.18 0.39 0.00 0.11 -4.75 117.12 109.65 1cff n MET 145 Ca -0.19 0.35 -0.07 0.00 -0.00 0.00 0.00 57.70 57.79 1cff n MET 145 Cb 1.08 -1.15 -0.03 0.00 0.00 0.00 0.00 33.22 33.11 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 -0.45 0.00 -2.35 1.12 1.35 0.15 -3.43 112.91 109.30 1cff h THR 146 Ca 0.00 -0.10 -0.56 0.00 -0.55 0.00 0.00 66.41 65.20 1cff h THR 146 Cb 0.25 0.00 0.04 0.00 -1.73 0.00 0.00 68.15 66.71 1cff h THR 146 CO 0.00 0.00 1.03 0.00 -0.25 0.00 0.00 175.52 176.30 1cff n ALA 147 N -2.31 1.75 -0.54 6.62 0.00 -0.86 -4.99 120.51 120.18 1cff n ALA 147 Ca -0.06 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1cff n ALA 147 Cb 0.19 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.13 1cff n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13