#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl1 n SER 2 N 0.00 0.00 -1.31 1.61 3.41 -1.26 -4.80 113.62 111.27 2dl1 n SER 2 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 2dl1 n SER 2 Cb 0.00 -0.83 -0.06 0.00 -0.26 0.00 0.00 64.21 63.06 2dl1 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dl1 n SER 3 N 0.00 -7.30 0.47 4.04 7.64 -1.26 -4.54 113.62 112.67 2dl1 n SER 3 Ca 0.00 0.91 -0.20 0.00 1.01 0.00 0.00 58.87 60.60 2dl1 n SER 3 Cb 0.00 -4.25 -0.10 0.00 -1.01 0.00 0.00 64.21 58.85 2dl1 n SER 3 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2dl1 h GLY 4 N -1.35 -1.24 0.00 0.23 0.00 -2.08 -3.46 103.07 95.18 2dl1 h GLY 4 Ca -0.08 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2dl1 h GLY 4 CO 0.04 -0.45 0.00 -1.26 0.00 0.00 0.00 176.54 174.87 2dl1 n SER 5 N -5.60 0.75 -3.12 0.19 2.88 -1.26 -5.12 113.62 102.34 2dl1 n SER 5 Ca -0.16 -0.02 -0.08 0.00 -1.33 0.00 0.00 58.87 57.29 2dl1 n SER 5 Cb 0.47 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.00 2dl1 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dl1 n SER 6 N -0.05 -2.19 0.00 -3.46 3.41 -1.26 -5.01 113.62 105.06 2dl1 n SER 6 Ca 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2dl1 n SER 6 Cb 0.00 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 2dl1 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dl1 n GLY 7 N -1.16 -0.56 3.63 5.00 0.00 -1.26 -4.93 105.19 105.90 2dl1 n GLY 7 Ca 0.03 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 2dl1 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dl1 s GLU 8 N -1.57 2.31 0.00 1.61 8.01 -1.26 -5.00 118.70 122.80 2dl1 s GLU 8 Ca 0.00 -1.06 0.15 0.00 0.01 0.00 0.00 54.97 54.07 2dl1 s GLU 8 Cb 0.00 -2.35 0.90 0.00 -4.31 0.00 0.00 34.13 28.37 2dl1 s GLU 8 CO 0.00 0.48 1.35 -0.35 0.01 0.00 0.00 175.26 176.75 2dl1 n PRO 9 N 0.24 0.44 0.00 0.39 -0.04 -1.26 -4.85 135.00 129.92 2dl1 n PRO 9 Ca -0.11 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2dl1 n PRO 9 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2dl1 n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dl1 n ALA 10 N -1.05 0.00 -0.06 0.55 0.00 -1.26 -4.64 120.51 114.05 2dl1 n ALA 10 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 2dl1 n ALA 10 Cb 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 2dl1 n ALA 10 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dl1 h GLU 11 N 0.00 0.39 -0.10 0.00 3.07 -2.01 -3.16 114.58 112.76 2dl1 h GLU 11 Ca 0.00 -0.18 0.02 0.00 -0.50 0.00 0.00 59.36 58.69 2dl1 h GLU 11 Cb 0.00 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2dl1 h GLU 11 CO 0.00 0.72 -0.01 0.82 -1.40 0.00 0.00 179.01 179.14 2dl1 h ILE 12 N 0.05 0.92 -1.08 3.13 2.04 -1.96 -1.75 117.51 118.86 2dl1 h ILE 12 Ca 0.03 -0.01 0.29 0.00 1.00 0.00 0.00 64.86 66.18 2dl1 h ILE 12 Cb 0.63 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 2dl1 h ILE 12 CO 0.03 0.00 0.73 0.07 0.00 0.00 0.00 178.15 178.99 2dl1 h LYS 13 N 0.02 0.22 -0.06 2.37 2.10 -1.94 0.67 116.57 119.96 2dl1 h LYS 13 Ca 0.05 -0.01 -0.07 0.00 -2.00 0.00 0.00 60.65 58.61 2dl1 h LYS 13 Cb 0.06 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2dl1 h LYS 13 CO -0.09 0.14 -0.24 0.82 -2.00 0.00 0.00 179.45 178.08 2dl1 h ILE 14 N 0.22 1.44 -0.48 0.07 2.04 -1.30 -3.13 117.51 116.37 2dl1 h ILE 14 Ca 0.57 -1.67 0.11 0.00 1.00 0.00 0.00 64.86 64.87 2dl1 h ILE 14 Cb 1.79 2.36 -0.03 0.00 -0.74 0.00 0.00 36.82 40.20 2dl1 h ILE 14 CO -0.18 0.47 0.33 0.40 0.00 0.00 0.00 178.15 179.18 2dl1 h ILE 15 N -0.26 0.85 -0.46 -0.67 2.04 -0.40 -0.21 117.51 118.40 2dl1 h ILE 15 Ca -0.01 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.67 2dl1 h ILE 15 Cb 0.89 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2dl1 h ILE 15 CO 0.05 0.03 -0.15 0.03 0.00 0.00 0.00 178.15 178.11 2dl1 h ARG 16 N 0.19 0.91 -0.02 2.37 3.08 -1.30 0.25 114.38 119.86 2dl1 h ARG 16 Ca 0.23 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2dl1 h ARG 16 Cb 0.65 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2dl1 h ARG 16 CO -0.04 1.02 -0.06 1.49 -1.07 0.00 0.00 179.97 181.32 2dl1 h GLU 17 N 0.75 0.08 -0.53 0.04 4.81 -1.14 -2.84 114.58 115.76 2dl1 h GLU 17 Ca 0.11 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 2dl1 h GLU 17 Cb 0.71 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 2dl1 h GLU 17 CO 0.05 0.65 0.00 0.00 -0.73 0.00 0.00 179.01 178.99 2dl1 h ALA 18 N 0.43 1.00 -0.69 2.92 0.00 -1.13 -1.51 119.26 120.29 2dl1 h ALA 18 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2dl1 h ALA 18 Cb 0.65 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2dl1 h ALA 18 CO 0.01 0.61 0.43 -0.92 0.00 0.00 0.00 179.25 179.39 2dl1 h TYR 19 N 0.83 0.88 0.00 0.00 3.20 -0.53 -0.41 116.97 120.94 2dl1 h TYR 19 Ca 0.16 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 2dl1 h TYR 19 Cb 0.49 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2dl1 h TYR 19 CO 0.03 0.57 -0.00 -0.22 -1.64 0.00 0.00 178.16 176.90 2dl1 h LYS 20 N 0.94 -0.00 -0.97 1.82 3.64 -1.23 -2.93 116.57 117.84 2dl1 h LYS 20 Ca 0.25 0.00 0.31 0.00 -1.27 0.00 0.00 60.65 59.94 2dl1 h LYS 20 Cb -0.07 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 31.58 2dl1 h LYS 20 CO -0.05 -0.00 0.28 0.87 -2.27 0.00 0.00 179.45 178.28 2dl1 h LYS 21 N -0.00 0.08 0.40 1.90 1.57 -1.36 0.80 116.57 119.96 2dl1 h LYS 21 Ca -0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2dl1 h LYS 21 Cb 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 2dl1 h LYS 21 CO 0.00 0.06 -0.22 0.00 -0.57 0.00 0.00 179.45 178.71 2dl1 h ALA 22 N 1.93 -0.58 0.00 3.86 0.00 -1.21 -1.24 119.26 122.02 2dl1 h ALA 22 Ca 0.68 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2dl1 h ALA 22 Cb 1.55 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2dl1 h ALA 22 CO -0.78 -0.84 0.00 1.19 0.00 0.00 0.00 179.25 178.82 2dl1 n PHE 23 N -5.36 0.04 -0.05 0.00 3.72 0.61 -2.63 117.46 113.79 2dl1 n PHE 23 Ca -0.11 0.01 -0.08 0.00 -0.05 0.00 0.00 57.45 57.23 2dl1 n PHE 23 Cb 0.26 -0.52 -0.07 0.00 -0.94 0.00 0.00 39.48 38.21 2dl1 n PHE 23 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2dl1 h LEU 24 N 0.00 -0.02 -1.63 4.37 5.85 0.12 -3.17 115.31 120.84 2dl1 h LEU 24 Ca 0.00 -0.52 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 2dl1 h LEU 24 Cb 0.34 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2dl1 h LEU 24 CO 0.00 0.73 -0.17 -0.26 -0.34 0.00 0.00 178.44 178.40 2dl1 h PHE 25 N -0.99 0.00 -0.05 1.25 0.04 -1.27 -3.00 116.94 112.92 2dl1 h PHE 25 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2dl1 h PHE 25 Cb 0.53 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 2dl1 h PHE 25 CO 0.14 0.17 0.00 0.28 -0.60 0.00 0.00 178.31 178.31 2dl1 h VAL 26 N 0.00 1.23 -0.06 -0.55 2.07 -1.61 0.12 116.25 117.46 2dl1 h VAL 26 Ca -0.00 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.83 2dl1 h VAL 26 Cb 0.48 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2dl1 h VAL 26 CO 0.02 0.19 0.08 -1.13 0.02 0.00 0.00 177.57 176.76 2dl1 h ASN 27 N -0.19 0.00 0.00 0.57 -1.24 -1.49 -2.55 115.58 110.67 2dl1 h ASN 27 Ca 0.01 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.92 2dl1 h ASN 27 Cb 0.30 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 2dl1 h ASN 27 CO 0.00 0.00 -0.60 0.11 -1.29 0.00 0.00 177.43 175.65 2dl1 h LYS 28 N 0.00 0.00 -1.27 6.67 1.57 -1.48 -3.29 116.57 118.78 2dl1 h LYS 28 Ca 0.03 0.00 0.37 0.00 -1.87 0.00 0.00 60.65 59.18 2dl1 h LYS 28 Cb 0.19 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.41 2dl1 h LYS 28 CO -0.00 0.94 0.86 0.78 -0.57 0.00 0.00 179.45 181.46 2dl1 h GLY 29 N -1.00 0.78 0.77 3.86 0.00 -0.56 0.27 103.07 107.18 2dl1 h GLY 29 Ca -0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 2dl1 h GLY 29 CO -0.10 -0.16 -0.33 1.41 0.00 0.00 0.00 176.54 177.36 2dl1 h LEU 30 N 0.15 0.49 0.17 3.11 3.38 -1.65 -3.24 115.31 117.72 2dl1 h LEU 30 Ca 0.69 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2dl1 h LEU 30 Cb 2.28 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.85 2dl1 h LEU 30 CO -0.22 1.00 -0.50 -1.13 0.09 0.00 0.00 178.44 177.68 2dl1 h ASN 31 N 0.00 -1.47 -0.64 -0.43 -1.24 -0.55 -2.88 115.58 108.37 2dl1 h ASN 31 Ca -0.01 0.15 0.06 0.00 0.71 0.00 0.00 56.30 57.21 2dl1 h ASN 31 Cb 0.95 0.54 -0.08 0.00 0.73 0.00 0.00 38.32 40.45 2dl1 h ASN 31 CO 0.07 -0.54 -0.42 0.71 -1.29 0.00 0.00 177.43 175.96 2dl1 h THR 32 N -0.75 0.00 -1.21 -3.57 1.35 -1.57 0.64 112.91 107.80 2dl1 h THR 32 Ca -0.01 0.00 0.45 0.00 -0.55 0.00 0.00 66.41 66.29 2dl1 h THR 32 Cb 0.73 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 67.00 2dl1 h THR 32 CO -0.24 0.00 0.73 -0.67 -0.25 0.00 0.00 175.52 175.09 2dl1 n ASP 33 N -4.60 0.27 0.01 5.36 2.03 -1.11 0.17 116.55 118.68 2dl1 n ASP 33 Ca 0.01 1.48 -0.19 0.00 0.52 0.00 0.00 54.79 56.61 2dl1 n ASP 33 Cb 0.19 -0.73 -0.09 0.00 -0.72 0.00 0.00 41.12 39.78 2dl1 n ASP 33 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2dl1 h GLU 34 N 0.00 0.69 0.00 -0.67 4.11 0.41 -3.20 114.58 115.92 2dl1 h GLU 34 Ca 0.86 -0.66 -0.06 0.00 0.07 0.00 0.00 59.36 59.56 2dl1 h GLU 34 Cb 2.56 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.97 2dl1 h GLU 34 CO -0.59 1.26 -0.30 -0.07 0.07 0.00 0.00 179.01 179.38 2dl1 h LEU 35 N 0.36 0.00 0.00 3.06 4.07 0.32 -3.46 115.31 119.67 2dl1 h LEU 35 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 2dl1 h LEU 35 Cb 1.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.25 2dl1 h LEU 35 CO 0.17 0.30 0.00 0.61 -1.08 0.00 0.00 178.44 178.44 2dl1 n GLY 36 N -0.65 0.97 2.74 0.83 0.00 0.58 -5.09 105.19 104.58 2dl1 n GLY 36 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2dl1 n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dl1 n GLN 37 N 0.00 1.35 0.28 1.61 6.02 -1.13 -4.92 117.38 120.59 2dl1 n GLN 37 Ca 0.00 -4.10 0.13 0.00 -0.01 0.00 0.00 57.00 53.02 2dl1 n GLN 37 Cb 0.00 -2.10 0.82 0.00 1.02 0.00 0.00 30.24 29.98 2dl1 n GLN 37 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2dl1 h LYS 38 N 5.44 0.00 0.04 -1.09 6.56 -1.91 -1.08 116.57 124.53 2dl1 h LYS 38 Ca 0.19 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.77 2dl1 h LYS 38 Cb 0.80 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.46 2dl1 h LYS 38 CO 0.62 0.03 -0.02 0.93 -2.06 0.00 0.00 179.45 178.95 2dl1 h GLU 39 N 0.00 -0.05 -0.54 3.15 4.39 -1.94 -3.04 114.58 116.55 2dl1 h GLU 39 Ca -0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.77 2dl1 h GLU 39 Cb 0.07 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.68 2dl1 h GLU 39 CO 0.00 0.45 0.23 0.93 -1.16 0.00 0.00 179.01 179.46 2dl1 h GLU 40 N -0.98 0.42 0.30 2.33 3.07 -1.93 -2.84 114.58 114.96 2dl1 h GLU 40 Ca -0.00 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 2dl1 h GLU 40 Cb 0.52 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 2dl1 h GLU 40 CO 0.01 0.28 -0.27 0.00 -1.40 0.00 0.00 179.01 177.63 2dl1 h ALA 41 N 1.33 -0.99 -1.15 3.43 0.00 -1.34 -1.09 119.26 119.45 2dl1 h ALA 41 Ca 0.25 -0.11 0.42 0.00 0.00 0.00 0.00 54.91 55.48 2dl1 h ALA 41 Cb 0.24 0.48 -0.14 0.00 0.00 0.00 0.00 17.79 18.37 2dl1 h ALA 41 CO -0.22 -1.00 0.70 1.63 0.00 0.00 0.00 179.25 180.36 2dl1 n LYS 42 N -3.98 -0.04 0.04 0.00 5.02 -1.15 0.59 118.16 118.65 2dl1 n LYS 42 Ca -0.07 1.21 -0.12 0.00 -2.02 0.00 0.00 58.31 57.31 2dl1 n LYS 42 Cb 0.25 -2.30 -0.09 0.00 -0.02 0.00 0.00 35.03 32.88 2dl1 n LYS 42 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2dl1 h ASN 43 N 0.00 -0.14 -0.85 4.39 -1.24 -1.15 -1.91 115.58 114.67 2dl1 h ASN 43 Ca 0.81 -0.40 0.19 0.00 0.71 0.00 0.00 56.30 57.61 2dl1 h ASN 43 Cb 2.43 0.04 -0.12 0.00 0.73 0.00 0.00 38.32 41.40 2dl1 h ASN 43 CO -0.54 0.38 0.35 1.88 -1.29 0.00 0.00 177.43 178.21 2dl1 h TYR 44 N -0.72 0.59 -0.02 0.67 0.05 0.14 -1.26 116.97 116.42 2dl1 h TYR 44 Ca -0.02 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 2dl1 h TYR 44 Cb 0.53 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 2dl1 h TYR 44 CO 0.09 -0.01 -0.01 1.88 -1.05 0.00 0.00 178.16 179.06 2dl1 h TYR 45 N 0.41 0.04 -0.07 4.88 0.05 -1.29 -2.67 116.97 118.33 2dl1 h TYR 45 Ca 0.51 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 59.30 2dl1 h TYR 45 Cb 0.90 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.63 2dl1 h TYR 45 CO -0.16 0.44 0.57 0.87 -1.05 0.00 0.00 178.16 178.83 2dl1 h LYS 46 N -0.37 0.00 0.08 4.88 1.57 -0.40 0.25 116.57 122.57 2dl1 h LYS 46 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 2dl1 h LYS 46 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2dl1 h LYS 46 CO 0.00 0.00 -1.58 1.96 -0.57 0.00 0.00 179.45 179.27 2dl1 h GLN 47 N 0.00 0.17 -0.46 3.15 4.20 -1.17 -3.37 115.11 117.64 2dl1 h GLN 47 Ca 0.03 -0.29 -0.10 0.00 0.06 0.00 0.00 58.65 58.35 2dl1 h GLN 47 Cb 1.16 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 2dl1 h GLN 47 CO -0.00 1.14 -0.14 0.78 -0.67 0.00 0.00 178.83 179.94 2dl1 h GLY 48 N 0.09 0.92 0.19 3.46 0.00 -0.31 -2.83 103.07 104.60 2dl1 h GLY 48 Ca -0.36 -0.73 0.15 0.00 0.00 0.00 0.00 47.33 46.39 2dl1 h GLY 48 CO -0.02 0.67 0.45 -2.22 0.00 0.00 0.00 176.54 175.42 2dl1 h ILE 49 N 0.76 0.71 0.04 2.60 2.04 -1.04 -0.98 117.51 121.65 2dl1 h ILE 49 Ca 0.12 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2dl1 h ILE 49 Cb 0.65 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2dl1 h ILE 49 CO 0.05 0.11 -0.02 1.23 0.00 0.00 0.00 178.15 179.52 2dl1 h GLY 50 N 0.63 -0.05 0.90 5.37 0.00 -1.68 -3.13 103.07 105.10 2dl1 h GLY 50 Ca 0.48 0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.96 2dl1 h GLY 50 CO -0.37 -0.02 0.43 0.45 0.00 0.00 0.00 176.54 177.03 2dl1 h HIS 51 N -0.64 0.00 0.45 5.60 3.86 -1.20 -2.16 115.15 121.06 2dl1 h HIS 51 Ca -0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2dl1 h HIS 51 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2dl1 h HIS 51 CO 0.12 0.00 -0.22 -0.07 0.86 0.00 0.00 177.93 178.62 2dl1 h LEU 52 N 0.00 -0.51 -0.28 2.43 3.38 -1.14 -3.23 115.31 115.97 2dl1 h LEU 52 Ca 0.21 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.26 2dl1 h LEU 52 Cb 1.06 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 2dl1 h LEU 52 CO -0.00 -0.23 -0.28 -0.07 0.09 0.00 0.00 178.44 177.95 2dl1 h LEU 53 N -0.88 -0.89 -1.69 1.67 3.38 -1.41 0.15 115.31 115.64 2dl1 h LEU 53 Ca -0.06 0.16 0.46 0.00 0.09 0.00 0.00 57.88 58.52 2dl1 h LEU 53 Cb 0.46 0.41 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 2dl1 h LEU 53 CO 0.10 -0.30 1.30 -0.09 0.09 0.00 0.00 178.44 179.54 2dl1 h ARG 54 N -0.27 0.00 0.08 1.13 2.43 -1.50 0.96 114.38 117.21 2dl1 h ARG 54 Ca 0.14 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.95 2dl1 h ARG 54 Cb 0.50 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 2dl1 h ARG 54 CO -0.43 0.00 -2.04 0.41 -1.51 0.00 0.00 179.97 176.40 2dl1 n GLY 55 N -1.84 -0.54 0.20 2.80 0.00 0.41 -4.11 105.19 102.11 2dl1 n GLY 55 Ca 0.35 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.24 2dl1 n GLY 55 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dl1 n ILE 56 N -3.57 0.10 -2.12 -0.61 5.41 0.16 -3.50 119.36 115.24 2dl1 n ILE 56 Ca -0.36 -0.13 -0.07 0.00 1.00 0.00 0.00 62.75 63.19 2dl1 n ILE 56 Cb 0.99 -0.02 0.08 0.00 -0.71 0.00 0.00 39.64 39.98 2dl1 n ILE 56 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2dl1 n SER 57 N -0.32 2.82 0.00 4.38 2.88 0.28 -4.95 113.62 118.71 2dl1 n SER 57 Ca 0.12 -3.23 0.00 0.00 -1.33 0.00 0.00 58.87 54.42 2dl1 n SER 57 Cb 0.14 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 2dl1 n SER 57 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2dl1 n ILE 58 N -0.64 0.00 0.00 2.46 2.08 -1.23 -4.93 119.36 117.11 2dl1 n ILE 58 Ca 0.25 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.56 2dl1 n ILE 58 Cb 0.88 -0.01 0.00 0.00 -0.75 0.00 0.00 39.64 39.76 2dl1 n ILE 58 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2dl1 n SER 59 N 0.00 0.00 -0.20 4.38 7.64 -1.26 -4.99 113.62 119.19 2dl1 n SER 59 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2dl1 n SER 59 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2dl1 n SER 59 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dl1 n SER 60 N 0.00 -5.52 -0.30 6.43 2.88 -1.26 -4.79 113.62 111.06 2dl1 n SER 60 Ca 0.00 0.06 0.11 0.00 -1.33 0.00 0.00 58.87 57.71 2dl1 n SER 60 Cb 0.00 -3.25 0.49 0.00 -0.75 0.00 0.00 64.21 60.70 2dl1 n SER 60 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2dl1 n LYS 61 N 0.02 1.39 -4.48 -1.46 4.81 -1.26 -4.80 118.16 112.38 2dl1 n LYS 61 Ca -0.03 -0.58 -0.34 0.00 -0.87 0.00 0.00 58.31 56.49 2dl1 n LYS 61 Cb 0.45 -1.37 -0.12 0.00 0.02 0.00 0.00 35.03 34.02 2dl1 n LYS 61 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2dl1 s GLU 62 N -1.90 3.31 -0.83 1.64 2.12 -1.26 -5.06 118.70 116.72 2dl1 s GLU 62 Ca 0.32 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 55.14 2dl1 s GLU 62 Cb 0.16 -2.79 0.24 0.00 0.26 0.00 0.00 34.13 31.99 2dl1 s GLU 62 CO 0.25 0.42 0.85 -1.13 -0.54 0.00 0.00 175.26 175.11 2dl1 n SER 63 N 2.99 4.29 -2.71 -1.70 3.41 -1.26 -4.77 113.62 113.86 2dl1 n SER 63 Ca -0.18 -3.28 -0.08 0.00 -0.26 0.00 0.00 58.87 55.08 2dl1 n SER 63 Cb 0.53 -0.94 0.11 0.00 -0.26 0.00 0.00 64.21 63.64 2dl1 n SER 63 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2dl1 n GLU 64 N 1.69 1.17 -4.24 4.33 2.13 -1.26 -5.13 120.64 119.33 2dl1 n GLU 64 Ca 0.25 -1.96 -0.18 0.00 0.66 0.00 0.00 57.16 55.93 2dl1 n GLU 64 Cb 0.37 -0.30 -0.15 0.00 0.27 0.00 0.00 31.44 31.63 2dl1 n GLU 64 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2dl1 s HIS 65 N -0.06 0.65 0.46 4.31 3.76 -1.26 -5.16 115.29 117.99 2dl1 s HIS 65 Ca 0.23 -0.14 0.03 0.00 -0.15 0.00 0.00 55.06 55.03 2dl1 s HIS 65 Cb 0.39 -0.46 -0.03 0.00 1.11 0.00 0.00 32.58 33.59 2dl1 s HIS 65 CO -0.07 -0.05 0.04 0.95 -0.85 0.00 0.00 174.74 174.76 2dl1 s THR 66 N 0.09 1.07 0.34 1.30 -4.23 -1.26 -4.99 115.64 107.96 2dl1 s THR 66 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2dl1 s THR 66 Cb -0.06 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.45 2dl1 s THR 66 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2dl1 n GLY 67 N -1.10 -2.29 3.36 3.99 0.00 -1.26 -4.29 105.19 103.61 2dl1 n GLY 67 Ca -0.13 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 2dl1 n GLY 67 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dl1 n PRO 68 N -3.77 1.50 0.00 1.61 -0.04 -1.26 -4.44 135.00 128.60 2dl1 n PRO 68 Ca -0.02 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 2dl1 n PRO 68 Cb 0.51 -3.33 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 2dl1 n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dl1 n GLY 69 N 5.20 0.15 0.22 0.55 0.00 -1.26 -4.82 105.19 105.23 2dl1 n GLY 69 Ca 0.47 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.63 2dl1 n GLY 69 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2dl1 h TRP 70 N 0.00 0.00 0.34 1.61 4.06 -1.88 -3.27 115.95 116.81 2dl1 h TRP 70 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2dl1 h TRP 70 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 2dl1 h TRP 70 CO 0.00 0.00 -0.32 0.93 -3.56 0.00 0.00 178.44 175.49 2dl1 h GLU 71 N 0.00 -0.65 -0.45 0.49 5.08 -1.88 0.16 114.58 117.33 2dl1 h GLU 71 Ca 0.00 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2dl1 h GLU 71 Cb 0.68 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2dl1 h GLU 71 CO 0.00 -0.44 0.11 0.77 -1.00 0.00 0.00 179.01 178.46 2dl1 h SER 72 N -0.68 0.62 -0.44 1.42 0.02 -1.88 -2.60 113.55 110.01 2dl1 h SER 72 Ca -0.02 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2dl1 h SER 72 Cb 0.61 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2dl1 h SER 72 CO -0.05 0.62 0.12 0.00 -1.14 0.00 0.00 176.83 176.39 2dl1 h ALA 73 N 1.47 0.58 0.00 3.77 0.00 -1.50 -2.40 119.26 121.17 2dl1 h ALA 73 Ca 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2dl1 h ALA 73 Cb 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dl1 h ALA 73 CO -0.00 0.25 -0.14 0.00 0.00 0.00 0.00 179.25 179.35 2dl1 h ARG 74 N 0.58 0.00 0.00 0.00 3.08 -0.37 -0.77 114.38 116.90 2dl1 h ARG 74 Ca 0.14 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 2dl1 h ARG 74 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2dl1 h ARG 74 CO -0.00 0.14 -0.14 1.96 -1.07 0.00 0.00 179.97 180.86 2dl1 h GLN 75 N 0.00 0.00 0.00 0.04 4.20 -1.09 -3.00 115.11 115.26 2dl1 h GLN 75 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 2dl1 h GLN 75 Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2dl1 h GLN 75 CO 0.02 0.14 -1.34 -1.33 -0.67 0.00 0.00 178.83 175.64 2dl1 n MET 76 N -3.16 0.62 -0.02 1.46 2.81 -0.50 -3.83 117.12 114.49 2dl1 n MET 76 Ca 0.03 0.14 -0.15 0.00 -1.81 0.00 0.00 57.70 55.90 2dl1 n MET 76 Cb 0.53 -1.78 -0.10 0.00 -0.71 0.00 0.00 33.22 31.16 2dl1 n MET 76 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2dl1 h GLN 77 N 0.00 0.26 -0.50 0.03 4.20 -1.16 -2.89 115.11 115.05 2dl1 h GLN 77 Ca -0.10 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.38 2dl1 h GLN 77 Cb 1.33 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.14 2dl1 h GLN 77 CO 0.02 0.92 0.33 0.37 -0.67 0.00 0.00 178.83 179.80 2dl1 h GLN 78 N -0.32 0.65 -0.17 1.46 4.15 -1.70 -2.07 115.11 117.12 2dl1 h GLN 78 Ca -0.03 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 2dl1 h GLN 78 Cb 1.01 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 2dl1 h GLN 78 CO 0.06 0.43 -0.01 -0.22 -1.93 0.00 0.00 178.83 177.16 2dl1 h LYS 79 N 0.67 0.31 -0.71 1.69 3.64 -1.66 -2.47 116.57 118.03 2dl1 h LYS 79 Ca 0.18 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2dl1 h LYS 79 Cb -0.08 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 2dl1 h LYS 79 CO -0.04 0.54 0.45 0.52 -2.27 0.00 0.00 179.45 178.65 2dl1 h MET 80 N 0.04 0.85 -0.63 1.90 2.86 -1.24 -1.34 114.93 117.37 2dl1 h MET 80 Ca 0.05 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2dl1 h MET 80 Cb 0.41 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 2dl1 h MET 80 CO 0.01 0.56 0.41 -0.22 1.06 0.00 0.00 176.91 178.73 2dl1 h LYS 81 N 0.87 0.80 -0.11 1.72 3.64 -1.32 0.32 116.57 122.48 2dl1 h LYS 81 Ca 0.29 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 2dl1 h LYS 81 Cb 0.03 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2dl1 h LYS 81 CO -0.11 0.53 -0.23 0.93 -2.27 0.00 0.00 179.45 178.30 2dl1 h GLU 82 N 0.82 0.19 0.00 1.90 5.08 -0.95 -2.44 114.58 119.19 2dl1 h GLU 82 Ca 0.24 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 2dl1 h GLU 82 Cb -0.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2dl1 h GLU 82 CO -0.07 0.41 -0.54 1.15 -1.00 0.00 0.00 179.01 178.96 2dl1 h THR 83 N 0.17 0.42 0.67 1.13 2.02 -0.42 -3.28 112.91 113.63 2dl1 h THR 83 Ca 0.03 -1.64 -0.03 0.00 0.77 0.00 0.00 66.41 65.54 2dl1 h THR 83 Cb 0.51 2.11 0.01 0.00 -1.74 0.00 0.00 68.15 69.03 2dl1 h THR 83 CO 0.03 0.24 -0.32 0.25 0.37 0.00 0.00 175.52 176.09 2dl1 h LEU 84 N 0.00 -0.77 -0.94 2.58 5.85 0.09 -2.28 115.31 119.85 2dl1 h LEU 84 Ca -0.02 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.86 2dl1 h LEU 84 Cb 1.24 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 42.37 2dl1 h LEU 84 CO 0.03 -0.39 0.54 0.06 -0.34 0.00 0.00 178.44 178.35 2dl1 h GLN 85 N -1.21 0.73 0.00 1.25 3.07 -1.68 0.63 115.11 117.91 2dl1 h GLN 85 Ca -0.09 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.60 2dl1 h GLN 85 Cb 0.71 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.10 2dl1 h GLN 85 CO 0.15 0.49 0.00 -0.91 0.09 0.00 0.00 178.83 178.65 2dl1 h ASN 86 N 0.76 0.00 0.02 0.06 4.21 -1.61 -3.12 115.58 115.90 2dl1 h ASN 86 Ca 0.51 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 57.69 2dl1 h ASN 86 Cb 0.71 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.87 2dl1 h ASN 86 CO -0.35 0.00 -1.84 0.52 -1.29 0.00 0.00 177.43 174.47 2dl1 n VAL 87 N -2.66 1.57 -0.33 2.81 0.31 0.19 -3.66 118.33 116.56 2dl1 n VAL 87 Ca 0.01 -0.26 0.03 0.00 -0.01 0.00 0.00 64.34 64.10 2dl1 n VAL 87 Cb 0.22 -1.90 0.10 0.00 -0.91 0.00 0.00 33.84 31.34 2dl1 n VAL 87 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2dl1 h ARG 88 N -0.77 -0.01 -0.46 5.55 3.08 -0.55 0.48 114.38 121.70 2dl1 h ARG 88 Ca -0.48 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.44 2dl1 h ARG 88 Cb 1.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.59 2dl1 h ARG 88 CO -0.22 -0.01 -0.23 0.00 -1.07 0.00 0.00 179.97 178.44 2dl1 h THR 89 N -0.01 1.27 -0.66 2.04 1.03 -1.76 -2.66 112.91 112.16 2dl1 h THR 89 Ca 0.41 -1.39 0.05 0.00 -0.01 0.00 0.00 66.41 65.47 2dl1 h THR 89 Cb 0.65 1.16 -0.05 0.00 -1.07 0.00 0.00 68.15 68.84 2dl1 h THR 89 CO -0.93 0.48 0.37 0.03 -0.01 0.00 0.00 175.52 175.45 2dl1 h ARG 90 N 0.81 0.67 0.00 0.00 -0.00 -0.25 0.23 114.38 115.85 2dl1 h ARG 90 Ca 0.10 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.98 59.48 2dl1 h ARG 90 Cb 0.80 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.61 2dl1 h ARG 90 CO 0.07 0.44 -0.31 1.25 0.00 0.00 0.00 179.97 181.42 2dl1 h LEU 91 N 0.69 0.00 0.29 3.04 5.85 -0.73 -3.03 115.31 121.42 2dl1 h LEU 91 Ca 0.29 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 2dl1 h LEU 91 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2dl1 h LEU 91 CO -0.17 0.31 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.76 2dl1 h GLU 92 N 0.00 -0.38 0.00 1.25 4.39 -0.80 -3.15 114.58 115.89 2dl1 h GLU 92 Ca -0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2dl1 h GLU 92 Cb 0.70 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2dl1 h GLU 92 CO 0.04 -0.25 0.40 0.82 -1.16 0.00 0.00 179.01 178.86 2dl1 h ILE 93 N -1.10 0.00 0.08 3.13 2.04 -1.06 0.69 117.51 121.29 2dl1 h ILE 93 Ca -0.04 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.57 2dl1 h ILE 93 Cb 0.30 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2dl1 h ILE 93 CO 0.07 0.00 -1.16 -0.07 0.00 0.00 0.00 178.15 176.99 2dl1 h LEU 94 N 0.00 0.28 0.00 1.44 3.38 -1.52 -1.81 115.31 117.07 2dl1 h LEU 94 Ca 0.00 -0.30 -0.24 0.00 0.09 0.00 0.00 57.88 57.43 2dl1 h LEU 94 Cb 0.79 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2dl1 h LEU 94 CO 0.00 1.23 -1.76 -0.62 0.09 0.00 0.00 178.44 177.39 2dl1 n GLU 95 N -3.47 0.64 0.16 1.13 1.02 0.21 -0.82 120.64 119.51 2dl1 n GLU 95 Ca -0.06 0.18 0.11 0.00 -0.02 0.00 0.00 57.16 57.37 2dl1 n GLU 95 Cb 1.00 -1.73 0.09 0.00 -0.02 0.00 0.00 31.44 30.78 2dl1 n GLU 95 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2dl1 h LYS 96 N 0.00 0.00 0.00 3.49 5.09 -0.71 -3.39 116.57 121.05 2dl1 h LYS 96 Ca -0.28 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.41 2dl1 h LYS 96 Cb 1.84 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.16 2dl1 h LYS 96 CO 0.05 0.04 -1.18 0.41 -2.09 0.00 0.00 179.45 176.68 2dl1 n GLY 97 N 1.15 -0.04 3.48 0.07 0.00 -0.68 -4.99 105.19 104.17 2dl1 n GLY 97 Ca 0.02 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2dl1 n GLY 97 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dl1 n LEU 98 N -2.68 -0.49 -2.39 0.99 7.94 0.00 -4.58 117.00 115.78 2dl1 n LEU 98 Ca -0.06 -0.63 -0.03 0.00 -1.11 0.00 0.00 56.01 54.18 2dl1 n LEU 98 Cb 0.56 -1.17 0.03 0.00 0.53 0.00 0.00 43.42 43.36 2dl1 n LEU 98 CO 0.03 0.06 0.52 0.00 -1.11 0.00 0.00 177.39 176.89 2dl1 n ALA 99 N -3.03 -1.04 -3.58 1.96 0.00 -1.26 -5.02 120.51 108.54 2dl1 n ALA 99 Ca 0.07 -0.54 -0.27 0.00 0.00 0.00 0.00 53.44 52.70 2dl1 n ALA 99 Cb 0.38 -0.87 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 2dl1 n ALA 99 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dl1 n THR 100 N -0.54 1.58 -2.41 0.00 -2.24 -1.26 -5.09 114.28 104.32 2dl1 n THR 100 Ca -0.16 -4.86 -0.41 0.00 -2.27 0.00 0.00 64.05 56.35 2dl1 n THR 100 Cb 0.67 -2.09 -0.04 0.00 -2.10 0.00 0.00 70.33 66.78 2dl1 n THR 100 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2dl1 s SER 101 N -1.81 7.14 -0.14 3.42 0.15 -1.26 -5.00 113.70 116.20 2dl1 s SER 101 Ca 0.33 2.23 -0.27 0.00 0.70 0.00 0.00 55.95 58.95 2dl1 s SER 101 Cb 0.07 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2dl1 s SER 101 CO -0.09 -0.30 0.90 -0.22 1.20 0.00 0.00 173.24 174.72 2dl1 s LEU 102 N -0.58 4.21 -0.03 3.45 2.96 -1.26 -5.05 118.68 122.39 2dl1 s LEU 102 Ca 0.50 1.32 0.07 0.00 -0.22 0.00 0.00 54.13 55.81 2dl1 s LEU 102 Cb -0.32 -3.36 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 2dl1 s LEU 102 CO 0.38 -0.41 -0.24 -1.10 -1.32 0.00 0.00 176.35 173.66 2dl1 s GLN 103 N 2.04 2.04 -0.02 1.98 -1.52 -1.26 -5.01 119.66 117.90 2dl1 s GLN 103 Ca 0.42 -0.85 -0.11 0.00 -1.95 0.00 0.00 55.36 52.87 2dl1 s GLN 103 Cb -0.17 -1.91 0.01 0.00 -0.22 0.00 0.00 33.01 30.72 2dl1 s GLN 103 CO 0.15 0.48 0.22 0.54 -0.25 0.00 0.00 175.29 176.43 2dl1 s ASN 104 N -0.47 -0.10 0.00 5.90 4.22 -1.26 -5.06 114.94 118.16 2dl1 s ASN 104 Ca 0.07 0.01 0.00 0.00 -2.14 0.00 0.00 52.86 50.80 2dl1 s ASN 104 Cb -0.10 0.29 0.00 0.00 1.28 0.00 0.00 41.25 42.72 2dl1 s ASN 104 CO -0.00 -0.36 0.00 -0.90 -2.04 0.00 0.00 177.10 173.80 2dl1 n ASP 105 N 1.59 0.00 -3.04 3.54 3.85 -1.26 -5.01 116.55 116.21 2dl1 n ASP 105 Ca -0.21 0.00 -0.11 0.00 -0.71 0.00 0.00 54.79 53.76 2dl1 n ASP 105 Cb 0.56 0.00 0.05 0.00 -1.35 0.00 0.00 41.12 40.38 2dl1 n ASP 105 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 2dl1 n LEU 106 N 0.00 -5.48 -0.00 -2.12 0.00 -1.26 -4.96 117.00 103.18 2dl1 n LEU 106 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 56.01 55.49 2dl1 n LEU 106 Cb 0.00 -2.97 -0.03 0.00 0.00 0.00 0.00 43.42 40.42 2dl1 n LEU 106 CO 0.00 -0.11 -0.36 1.67 0.00 0.00 0.00 177.39 178.59 2dl1 n GLN 107 N -2.81 2.09 -3.17 1.96 7.27 -1.26 -4.90 117.38 116.56 2dl1 n GLN 107 Ca -0.05 -0.02 -0.45 0.00 0.07 0.00 0.00 57.00 56.54 2dl1 n GLN 107 Cb 0.59 -0.95 -0.03 0.00 2.41 0.00 0.00 30.24 32.26 2dl1 n GLN 107 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2dl1 s GLU 108 N -1.96 3.36 0.36 3.69 0.41 -1.26 -5.04 118.70 118.26 2dl1 s GLU 108 Ca -0.00 -1.87 -0.19 0.00 -0.41 0.00 0.00 54.97 52.49 2dl1 s GLU 108 Cb 0.03 -4.47 -0.10 0.00 -1.78 0.00 0.00 34.13 27.81 2dl1 s GLU 108 CO 0.16 -1.48 0.85 0.14 -0.49 0.00 0.00 175.26 174.45 2dl1 s VAL 109 N 1.65 4.49 0.00 2.63 -7.23 -1.26 -5.08 120.40 115.60 2dl1 s VAL 109 Ca 0.17 1.31 0.00 0.00 -1.81 0.00 0.00 61.98 61.65 2dl1 s VAL 109 Cb -0.16 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2dl1 s VAL 109 CO -0.03 -0.17 0.00 -0.81 -0.31 0.00 0.00 175.10 173.78 2dl1 n PRO 110 N -0.27 -0.25 -3.84 4.82 -0.04 -1.26 -5.10 135.00 129.07 2dl1 n PRO 110 Ca 0.04 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.38 2dl1 n PRO 110 Cb 0.53 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.87 2dl1 n PRO 110 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dl1 s SER 111 N -1.51 -0.10 0.46 3.54 1.04 -1.26 -5.17 113.70 110.69 2dl1 s SER 111 Ca 0.00 0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.66 2dl1 s SER 111 Cb 0.00 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.43 2dl1 s SER 111 CO 0.00 -0.10 0.43 0.61 0.98 0.00 0.00 173.24 175.16 2dl1 n GLY 112 N 2.73 2.56 3.77 7.32 0.00 -1.26 -5.11 105.19 115.20 2dl1 n GLY 112 Ca -0.14 -2.26 -0.32 0.00 0.00 0.00 0.00 46.02 43.30 2dl1 n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dl1 s PRO 113 N -3.94 2.48 0.00 1.61 0.04 -1.26 -5.05 135.00 128.87 2dl1 s PRO 113 Ca 0.33 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2dl1 s PRO 113 Cb -0.03 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2dl1 s PRO 113 CO 0.21 -1.48 0.00 0.45 0.04 0.00 0.00 177.00 176.21 2dl1 n SER 114 N -3.07 0.00 -4.72 6.66 2.88 -1.26 -5.16 113.62 108.94 2dl1 n SER 114 Ca 0.10 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.33 2dl1 n SER 114 Cb 0.53 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.11 2dl1 n SER 114 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dl1 s SER 115 N 0.00 3.71 0.00 -3.46 1.04 -1.26 -5.33 113.70 108.40 2dl1 s SER 115 Ca 0.00 1.64 0.11 0.00 0.48 0.00 0.00 55.95 58.19 2dl1 s SER 115 Cb 0.00 -2.31 0.09 0.00 0.10 0.00 0.00 66.02 63.89 2dl1 s SER 115 CO 0.00 -2.51 0.86 0.61 0.98 0.00 0.00 173.24 173.17