#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl1 s SER 2 N 0.00 7.02 -0.30 1.61 0.01 -1.26 -4.99 113.70 115.79 2dl1 s SER 2 Ca 0.00 2.03 -0.06 0.00 1.31 0.00 0.00 55.95 59.23 2dl1 s SER 2 Cb 0.00 -2.57 0.19 0.00 0.21 0.00 0.00 66.02 63.84 2dl1 s SER 2 CO 0.00 -0.53 0.81 -0.55 0.41 0.00 0.00 173.24 173.38 2dl1 s SER 3 N 1.22 -0.98 -1.02 2.44 0.15 -1.26 -4.97 113.70 109.28 2dl1 s SER 3 Ca 0.59 0.50 -0.05 0.00 0.70 0.00 0.00 55.95 57.69 2dl1 s SER 3 Cb -0.30 1.78 0.01 0.00 -1.71 0.00 0.00 66.02 65.79 2dl1 s SER 3 CO 0.28 -0.18 0.88 0.61 1.20 0.00 0.00 173.24 176.03 2dl1 n GLY 4 N 5.42 -0.21 2.72 9.45 0.00 -1.26 -4.97 105.19 116.34 2dl1 n GLY 4 Ca -0.02 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 2dl1 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dl1 n SER 5 N -2.20 -2.52 -3.92 1.61 2.88 -1.26 -5.15 113.62 103.07 2dl1 n SER 5 Ca -0.06 -2.30 -0.18 0.00 -1.33 0.00 0.00 58.87 55.00 2dl1 n SER 5 Cb 0.57 1.35 -0.15 0.00 -0.75 0.00 0.00 64.21 65.23 2dl1 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dl1 s SER 6 N 0.25 0.76 0.00 -3.46 0.01 -1.26 -5.02 113.70 104.98 2dl1 s SER 6 Ca 0.28 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.43 2dl1 s SER 6 Cb 0.11 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2dl1 s SER 6 CO -0.11 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2dl1 n GLY 7 N 3.52 -0.55 1.12 3.44 0.00 -1.26 -5.17 105.19 106.29 2dl1 n GLY 7 Ca -0.20 0.36 0.14 0.00 0.00 0.00 0.00 46.02 46.32 2dl1 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dl1 n GLU 8 N 0.00 -2.45 0.00 1.61 4.71 -1.26 -4.94 120.64 118.31 2dl1 n GLU 8 Ca 0.00 1.85 0.00 0.00 -0.01 0.00 0.00 57.16 59.00 2dl1 n GLU 8 Cb 0.00 -2.91 0.00 0.00 -1.01 0.00 0.00 31.44 27.52 2dl1 n GLU 8 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2dl1 n PRO 9 N -3.90 0.40 -0.00 3.49 -0.04 -1.26 -5.00 135.00 128.69 2dl1 n PRO 9 Ca -0.03 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.48 2dl1 n PRO 9 Cb 0.52 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.91 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 -3.00 3.49 -0.10 0.55 0.00 -1.26 -4.40 120.51 115.80 2dl1 n ALA 10 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 53.44 52.91 2dl1 n ALA 10 Cb 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 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 0.00 -0.35 0.00 3.07 -2.01 -3.35 114.58 111.94 2dl1 h GLU 11 Ca 0.00 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.93 2dl1 h GLU 11 Cb 0.30 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.15 2dl1 h GLU 11 CO 0.00 0.88 -0.03 0.82 -1.40 0.00 0.00 179.01 179.28 2dl1 h ILE 12 N -1.00 0.70 -1.02 3.13 2.04 -1.98 -0.88 117.51 118.51 2dl1 h ILE 12 Ca -0.29 -0.02 0.25 0.00 1.00 0.00 0.00 64.86 65.80 2dl1 h ILE 12 Cb 1.19 0.64 -0.11 0.00 -0.74 0.00 0.00 36.82 37.79 2dl1 h ILE 12 CO -0.17 0.01 0.63 0.11 0.00 0.00 0.00 178.15 178.72 2dl1 h LYS 13 N 0.06 0.51 0.20 2.37 1.57 -1.77 0.07 116.57 119.58 2dl1 h LYS 13 Ca 0.17 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2dl1 h LYS 13 Cb 0.25 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2dl1 h LYS 13 CO -0.32 0.34 -0.09 0.82 -0.57 0.00 0.00 179.45 179.63 2dl1 h ILE 14 N 0.52 0.89 -0.99 1.86 2.04 -1.32 -3.15 117.51 117.36 2dl1 h ILE 14 Ca 0.62 -0.83 0.15 0.00 1.00 0.00 0.00 64.86 65.80 2dl1 h ILE 14 Cb 1.31 1.35 -0.10 0.00 -0.74 0.00 0.00 36.82 38.65 2dl1 h ILE 14 CO -0.40 0.18 0.60 0.40 0.00 0.00 0.00 178.15 178.93 2dl1 h ILE 15 N -0.70 0.81 0.02 -0.67 2.04 -0.58 -0.71 117.51 117.71 2dl1 h ILE 15 Ca -0.03 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2dl1 h ILE 15 Cb 0.49 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2dl1 h ILE 15 CO 0.04 0.16 -0.04 0.03 0.00 0.00 0.00 178.15 178.34 2dl1 h ARG 16 N 0.86 -0.07 -0.95 2.37 3.08 -1.02 1.24 114.38 119.88 2dl1 h ARG 16 Ca 0.53 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.72 2dl1 h ARG 16 Cb 0.68 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.67 2dl1 h ARG 16 CO -0.33 -0.04 0.60 1.49 -1.07 0.00 0.00 179.97 180.62 2dl1 h GLU 17 N -0.07 0.80 0.00 0.04 4.81 -1.48 0.28 114.58 118.97 2dl1 h GLU 17 Ca -0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2dl1 h GLU 17 Cb 0.07 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 2dl1 h GLU 17 CO -0.02 0.53 -0.17 0.00 -0.73 0.00 0.00 179.01 178.63 2dl1 h ALA 18 N 1.58 1.04 0.04 2.92 0.00 -0.68 0.55 119.26 124.70 2dl1 h ALA 18 Ca 0.48 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 55.00 2dl1 h ALA 18 Cb 0.64 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2dl1 h ALA 18 CO -0.25 0.21 -1.19 -0.92 0.00 0.00 0.00 179.25 177.10 2dl1 h TYR 19 N 0.00 0.15 0.00 0.00 3.20 0.51 -3.15 116.97 117.69 2dl1 h TYR 19 Ca -0.00 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.73 2dl1 h TYR 19 Cb 0.66 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 2dl1 h TYR 19 CO 0.00 1.10 -0.85 0.36 -1.64 0.00 0.00 178.16 177.13 2dl1 n LYS 20 N -3.36 0.50 -0.27 1.82 2.85 -0.46 -3.78 118.16 115.46 2dl1 n LYS 20 Ca -0.06 0.38 0.08 0.00 -1.05 0.00 0.00 58.31 57.66 2dl1 n LYS 20 Cb 0.98 -1.57 0.21 0.00 -0.65 0.00 0.00 35.03 34.01 2dl1 n LYS 20 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2dl1 h LYS 21 N -1.00 0.23 0.40 -1.58 1.79 -0.11 0.78 116.57 117.07 2dl1 h LYS 21 Ca -0.05 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 2dl1 h LYS 21 Cb 0.81 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2dl1 h LYS 21 CO -0.03 0.15 -0.20 0.00 -1.08 0.00 0.00 179.45 178.29 2dl1 h ALA 22 N 1.68 -0.55 0.00 3.86 0.00 -1.65 -2.01 119.26 120.59 2dl1 h ALA 22 Ca 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2dl1 h ALA 22 Cb 0.84 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2dl1 h ALA 22 CO -0.58 -0.81 0.00 0.74 0.00 0.00 0.00 179.25 178.60 2dl1 h PHE 23 N -0.55 0.00 -0.01 0.00 0.04 -1.33 -2.25 116.94 112.85 2dl1 h PHE 23 Ca -0.05 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 2dl1 h PHE 23 Cb 0.43 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 2dl1 h PHE 23 CO -0.06 0.00 -0.01 1.25 -0.60 0.00 0.00 178.31 178.89 2dl1 h LEU 24 N 0.00 0.02 -0.60 1.54 5.85 0.12 -2.81 115.31 119.43 2dl1 h LEU 24 Ca 0.00 -0.52 -0.07 0.00 0.84 0.00 0.00 57.88 58.13 2dl1 h LEU 24 Cb 0.37 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2dl1 h LEU 24 CO 0.00 0.54 -0.33 -0.26 -0.34 0.00 0.00 178.44 178.05 2dl1 h PHE 25 N -0.49 0.00 -0.02 1.25 0.04 -1.29 -3.10 116.94 113.33 2dl1 h PHE 25 Ca 0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 2dl1 h PHE 25 Cb 0.53 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2dl1 h PHE 25 CO 0.11 0.33 -0.42 0.28 -0.60 0.00 0.00 178.31 178.00 2dl1 h VAL 26 N 0.00 1.31 0.00 -0.55 2.07 -1.40 -2.27 116.25 115.40 2dl1 h VAL 26 Ca -0.00 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 2dl1 h VAL 26 Cb 1.02 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2dl1 h VAL 26 CO 0.04 0.42 -0.06 -1.13 0.02 0.00 0.00 177.57 176.86 2dl1 h ASN 27 N 0.04 0.00 0.14 0.57 -0.00 -1.41 -3.18 115.58 111.73 2dl1 h ASN 27 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.30 56.00 2dl1 h ASN 27 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.08 2dl1 h ASN 27 CO 0.06 0.06 -1.52 0.11 -0.00 0.00 0.00 177.43 176.14 2dl1 h LYS 28 N 0.00 0.29 -0.98 6.67 6.56 -1.53 -3.28 116.57 124.30 2dl1 h LYS 28 Ca -0.00 -0.50 0.17 0.00 -1.06 0.00 0.00 60.65 59.26 2dl1 h LYS 28 Cb 0.70 0.18 -0.09 0.00 -0.57 0.00 0.00 32.23 32.45 2dl1 h LYS 28 CO 0.01 1.24 0.61 0.78 -2.06 0.00 0.00 179.45 180.03 2dl1 h GLY 29 N 0.26 1.55 0.66 3.86 0.00 -1.41 -1.77 103.07 106.22 2dl1 h GLY 29 Ca -0.32 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 2dl1 h GLY 29 CO 0.10 0.03 -0.05 1.41 0.00 0.00 0.00 176.54 178.03 2dl1 h LEU 30 N 0.77 0.18 0.04 3.11 3.38 -1.70 -3.15 115.31 117.95 2dl1 h LEU 30 Ca 0.52 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2dl1 h LEU 30 Cb 0.80 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2dl1 h LEU 30 CO -0.30 0.57 -0.12 -1.13 0.09 0.00 0.00 178.44 177.55 2dl1 h ASN 31 N -0.22 -0.37 -0.82 -0.43 -1.24 -1.40 -2.65 115.58 108.46 2dl1 h ASN 31 Ca 0.02 0.04 0.11 0.00 0.71 0.00 0.00 56.30 57.18 2dl1 h ASN 31 Cb 0.51 0.13 -0.12 0.00 0.73 0.00 0.00 38.32 39.57 2dl1 h ASN 31 CO 0.01 -0.13 -0.37 0.35 -1.29 0.00 0.00 177.43 176.00 2dl1 n THR 32 N -3.13 -0.47 -0.32 -3.57 -2.24 -0.84 0.17 114.28 103.88 2dl1 n THR 32 Ca -0.02 1.95 0.17 0.00 -2.27 0.00 0.00 64.05 63.88 2dl1 n THR 32 Cb 0.10 -2.52 0.36 0.00 -2.10 0.00 0.00 70.33 66.16 2dl1 n THR 32 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2dl1 h ASP 33 N 0.00 0.30 -0.62 3.42 1.82 -1.44 0.56 116.42 120.47 2dl1 h ASP 33 Ca 0.24 0.18 -0.05 0.00 -0.39 0.00 0.00 57.03 57.01 2dl1 h ASP 33 Cb 0.45 0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.60 2dl1 h ASP 33 CO -0.80 -0.09 0.19 1.05 -1.61 0.00 0.00 179.24 177.98 2dl1 h GLU 34 N 0.32 0.99 -0.02 0.28 4.11 0.20 -2.51 114.58 117.95 2dl1 h GLU 34 Ca 0.62 -0.20 -0.13 0.00 0.07 0.00 0.00 59.36 59.72 2dl1 h GLU 34 Cb 1.28 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 2dl1 h GLU 34 CO -0.59 0.86 -0.58 -0.07 0.07 0.00 0.00 179.01 178.69 2dl1 h LEU 35 N 0.95 0.09 0.00 3.06 -0.00 0.59 -3.46 115.31 116.54 2dl1 h LEU 35 Ca 0.21 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 2dl1 h LEU 35 Cb 0.29 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 2dl1 h LEU 35 CO -0.01 0.65 0.00 0.61 -0.00 0.00 0.00 178.44 179.69 2dl1 n GLY 36 N 0.17 1.09 3.59 0.83 0.00 0.17 -5.08 105.19 105.95 2dl1 n GLY 36 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2dl1 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dl1 s GLN 37 N 0.00 3.43 -0.17 1.61 -0.21 -0.97 -4.87 119.66 118.49 2dl1 s GLN 37 Ca 0.00 0.62 -0.15 0.00 0.02 0.00 0.00 55.36 55.85 2dl1 s GLN 37 Cb 0.00 -4.07 -0.12 0.00 1.00 0.00 0.00 33.01 29.82 2dl1 s GLN 37 CO 0.00 -1.77 0.08 0.87 -2.12 0.00 0.00 175.29 172.35 2dl1 h LYS 38 N 10.78 0.00 -0.67 2.91 1.79 -1.92 -2.96 116.57 126.50 2dl1 h LYS 38 Ca -0.27 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.32 2dl1 h LYS 38 Cb 1.09 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.66 2dl1 h LYS 38 CO 1.14 0.52 0.22 1.05 -1.08 0.00 0.00 179.45 181.30 2dl1 h GLU 39 N -1.00 0.35 0.06 3.15 4.11 -1.93 -1.29 114.58 118.04 2dl1 h GLU 39 Ca -0.16 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.25 2dl1 h GLU 39 Cb 0.86 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2dl1 h GLU 39 CO -0.09 0.23 -0.03 0.93 0.07 0.00 0.00 179.01 180.12 2dl1 h GLU 40 N 0.37 -0.08 -0.53 1.06 5.08 -1.98 -3.00 114.58 115.49 2dl1 h GLU 40 Ca 0.35 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.81 2dl1 h GLU 40 Cb 0.52 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.68 2dl1 h GLU 40 CO -0.39 0.32 -0.39 0.00 -1.00 0.00 0.00 179.01 177.56 2dl1 h ALA 41 N 0.39 -0.23 -0.53 3.43 0.00 -1.26 0.01 119.26 121.07 2dl1 h ALA 41 Ca -0.01 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2dl1 h ALA 41 Cb 0.44 0.86 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 2dl1 h ALA 41 CO 0.01 -0.77 0.02 0.87 0.00 0.00 0.00 179.25 179.38 2dl1 h LYS 42 N -0.22 0.13 -0.30 0.00 1.57 -1.30 -1.55 116.57 114.90 2dl1 h LYS 42 Ca 0.19 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 2dl1 h LYS 42 Cb 0.56 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 2dl1 h LYS 42 CO -0.65 0.09 -0.03 -0.97 -0.57 0.00 0.00 179.45 177.32 2dl1 h ASN 43 N 0.14 -0.18 -1.00 0.86 -1.24 -0.91 -0.92 115.58 112.33 2dl1 h ASN 43 Ca 0.27 0.08 0.21 0.00 0.71 0.00 0.00 56.30 57.57 2dl1 h ASN 43 Cb 0.41 0.14 -0.10 0.00 0.73 0.00 0.00 38.32 39.50 2dl1 h ASN 43 CO -0.43 -0.05 0.62 1.88 -1.29 0.00 0.00 177.43 178.15 2dl1 h TYR 44 N 0.05 0.96 -0.14 0.67 0.05 -0.17 0.12 116.97 118.51 2dl1 h TYR 44 Ca 0.14 0.03 -0.19 0.00 0.05 0.00 0.00 58.73 58.77 2dl1 h TYR 44 Cb 0.20 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.65 2dl1 h TYR 44 CO -0.24 0.18 -0.68 1.88 -1.05 0.00 0.00 178.16 178.25 2dl1 h TYR 45 N 0.66 0.74 0.00 4.88 0.05 -0.84 -2.75 116.97 119.71 2dl1 h TYR 45 Ca 0.58 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 59.06 2dl1 h TYR 45 Cb 1.05 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.66 2dl1 h TYR 45 CO -0.00 1.07 0.00 1.63 -1.05 0.00 0.00 178.16 179.81 2dl1 n LYS 46 N -3.91 0.07 -0.08 4.88 5.02 0.34 -1.25 118.16 123.24 2dl1 n LYS 46 Ca -0.05 0.39 -0.09 0.00 -2.02 0.00 0.00 58.31 56.54 2dl1 n LYS 46 Cb 0.68 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 2dl1 n LYS 46 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dl1 n GLN 47 N -1.80 0.49 -0.31 1.97 6.02 -0.75 -4.38 117.38 118.62 2dl1 n GLN 47 Ca 0.02 0.45 -0.05 0.00 -0.01 0.00 0.00 57.00 57.41 2dl1 n GLN 47 Cb 0.14 -1.63 0.08 0.00 1.02 0.00 0.00 30.24 29.86 2dl1 n GLN 47 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2dl1 h GLY 48 N -1.00 1.31 -0.75 1.08 0.00 -1.48 -2.95 103.07 99.28 2dl1 h GLY 48 Ca -0.07 -0.65 0.21 0.00 0.00 0.00 0.00 47.33 46.82 2dl1 h GLY 48 CO -0.04 0.62 -0.09 -2.22 0.00 0.00 0.00 176.54 174.81 2dl1 h ILE 49 N 1.21 0.13 -0.68 2.60 2.04 -1.40 0.67 117.51 122.08 2dl1 h ILE 49 Ca 0.29 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 66.12 2dl1 h ILE 49 Cb 0.12 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 2dl1 h ILE 49 CO -0.04 0.01 0.34 1.23 0.00 0.00 0.00 178.15 179.69 2dl1 h GLY 50 N 0.03 1.02 1.33 5.37 0.00 -1.72 -2.57 103.07 106.54 2dl1 h GLY 50 Ca 0.48 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 2dl1 h GLY 50 CO -0.87 0.45 -0.38 0.45 0.00 0.00 0.00 176.54 176.20 2dl1 h HIS 51 N 0.96 0.87 0.23 5.60 3.86 0.16 -2.84 115.15 123.98 2dl1 h HIS 51 Ca 0.24 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2dl1 h HIS 51 Cb 0.08 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 2dl1 h HIS 51 CO 0.01 1.00 -0.43 -0.07 0.86 0.00 0.00 177.93 179.30 2dl1 h LEU 52 N 0.61 -1.26 -0.82 2.43 3.38 -0.44 -2.36 115.31 116.85 2dl1 h LEU 52 Ca 0.05 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.25 2dl1 h LEU 52 Cb 0.92 0.45 -0.08 0.00 0.09 0.00 0.00 40.66 42.04 2dl1 h LEU 52 CO 0.08 -0.50 0.46 -0.07 0.09 0.00 0.00 178.44 178.50 2dl1 h LEU 53 N -0.71 0.63 -0.95 1.67 3.38 -1.60 -2.01 115.31 115.72 2dl1 h LEU 53 Ca -0.02 0.05 0.26 0.00 0.09 0.00 0.00 57.88 58.26 2dl1 h LEU 53 Cb 0.67 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 41.18 2dl1 h LEU 53 CO -0.16 0.35 0.00 -1.14 0.09 0.00 0.00 178.44 177.58 2dl1 n ARG 54 N -4.77 -0.08 0.08 1.13 3.00 -0.90 0.16 116.66 115.28 2dl1 n ARG 54 Ca 0.14 1.42 -0.12 0.00 -0.00 0.00 0.00 57.85 59.29 2dl1 n ARG 54 Cb 0.30 -2.25 -0.13 0.00 0.00 0.00 0.00 32.46 30.38 2dl1 n ARG 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2dl1 h GLY 55 N 0.00 0.16 0.10 5.14 0.00 -1.28 -3.22 103.07 103.97 2dl1 h GLY 55 Ca 0.57 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2dl1 h GLY 55 CO -0.89 0.35 0.00 1.39 0.00 0.00 0.00 176.54 177.39 2dl1 n ILE 56 N -3.42 0.06 -2.26 2.60 5.41 0.24 -3.77 119.36 118.21 2dl1 n ILE 56 Ca -0.06 -0.13 -0.26 0.00 1.00 0.00 0.00 62.75 63.30 2dl1 n ILE 56 Cb 0.99 -0.03 0.01 0.00 -0.71 0.00 0.00 39.64 39.90 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 -0.38 4.86 -4.67 4.38 2.88 0.41 -5.00 113.62 116.10 2dl1 n SER 57 Ca 0.17 -3.74 -0.24 0.00 -1.33 0.00 0.00 58.87 53.73 2dl1 n SER 57 Cb 0.18 -0.42 -0.07 0.00 -0.75 0.00 0.00 64.21 63.15 2dl1 n SER 57 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2dl1 s ILE 58 N -5.11 3.66 0.00 2.46 -1.09 -1.25 -4.95 121.20 114.92 2dl1 s ILE 58 Ca 0.50 -1.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.27 2dl1 s ILE 58 Cb 0.41 -2.91 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 2dl1 s ILE 58 CO -0.09 -0.25 0.90 -0.24 -1.23 0.00 0.00 174.94 174.03 2dl1 n SER 59 N -0.58 0.00 -4.25 3.58 2.88 -1.26 -4.78 113.62 109.21 2dl1 n SER 59 Ca -0.08 0.90 -0.30 0.00 -1.33 0.00 0.00 58.87 58.06 2dl1 n SER 59 Cb 0.57 -0.40 -0.08 0.00 -0.75 0.00 0.00 64.21 63.54 2dl1 n SER 59 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dl1 n SER 60 N -2.57 0.58 -0.05 -3.46 3.41 -1.26 -4.86 113.62 105.42 2dl1 n SER 60 Ca 0.00 -1.22 -0.06 0.00 -0.26 0.00 0.00 58.87 57.33 2dl1 n SER 60 Cb 0.00 -1.89 -0.02 0.00 -0.26 0.00 0.00 64.21 62.04 2dl1 n SER 60 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dl1 n LYS 61 N -4.53 0.34 -3.21 4.33 5.02 -1.26 -5.01 118.16 113.84 2dl1 n LYS 61 Ca -0.31 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 2dl1 n LYS 61 Cb 0.69 -1.08 -0.01 0.00 -0.02 0.00 0.00 35.03 34.60 2dl1 n LYS 61 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2dl1 s GLU 62 N -2.48 0.76 0.00 1.97 2.12 -1.26 -5.06 118.70 114.75 2dl1 s GLU 62 Ca -0.19 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 54.99 2dl1 s GLU 62 Cb 0.03 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.48 2dl1 s GLU 62 CO 0.28 -1.16 0.00 -1.13 -0.54 0.00 0.00 175.26 172.70 2dl1 n SER 63 N 4.60 0.00 -3.38 -1.70 3.41 -1.26 -5.08 113.62 110.21 2dl1 n SER 63 Ca 0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.58 2dl1 n SER 63 Cb 0.56 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.52 2dl1 n SER 63 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dl1 n GLU 64 N -1.53 -1.43 0.24 4.33 -0.58 -1.26 -4.82 120.64 115.58 2dl1 n GLU 64 Ca 0.00 1.08 0.16 0.00 -0.42 0.00 0.00 57.16 57.99 2dl1 n GLU 64 Cb 0.00 -4.54 0.83 0.00 -0.57 0.00 0.00 31.44 27.16 2dl1 n GLU 64 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2dl1 h HIS 65 N -0.22 0.00 -0.21 -0.32 3.86 -1.99 -3.46 115.15 112.81 2dl1 h HIS 65 Ca -0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 2dl1 h HIS 65 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2dl1 h HIS 65 CO 0.24 0.00 0.00 -2.37 0.86 0.00 0.00 177.93 176.66 2dl1 n THR 66 N -2.63 0.00 0.00 2.45 5.66 -1.26 -5.07 114.28 113.43 2dl1 n THR 66 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2dl1 n THR 66 Cb 0.09 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 2dl1 n THR 66 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dl1 n GLY 67 N 0.00 0.09 0.00 1.09 0.00 -1.26 -4.62 105.19 100.48 2dl1 n GLY 67 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.54 0.49 0.08 1.61 -0.04 -1.26 -3.34 135.00 132.00 2dl1 n PRO 68 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 2dl1 n PRO 68 Cb 0.00 -1.40 -0.02 0.00 -0.04 0.00 0.00 33.50 32.04 2dl1 n PRO 68 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2dl1 h GLY 69 N 2.52 -0.25 2.00 0.55 0.00 -1.98 -3.30 103.07 102.62 2dl1 h GLY 69 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2dl1 h GLY 69 CO 0.00 -0.09 0.00 0.79 0.00 0.00 0.00 176.54 177.24 2dl1 n TRP 70 N -3.27 0.57 0.30 5.60 7.02 -1.24 -3.72 117.44 122.70 2dl1 n TRP 70 Ca -0.03 0.18 -0.17 0.00 -1.02 0.00 0.00 57.50 56.46 2dl1 n TRP 70 Cb 0.10 -0.79 -0.08 0.00 -2.42 0.00 0.00 31.31 28.11 2dl1 n TRP 70 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 2dl1 h GLU 71 N 0.00 -0.78 -0.85 -0.99 4.22 -1.65 0.58 114.58 115.10 2dl1 h GLU 71 Ca 0.00 0.05 0.01 0.00 0.08 0.00 0.00 59.36 59.50 2dl1 h GLU 71 Cb 0.55 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 2dl1 h GLU 71 CO 0.00 -0.52 0.55 0.77 -2.18 0.00 0.00 179.01 177.64 2dl1 h SER 72 N -0.81 0.99 -0.65 1.04 0.02 -1.64 -1.87 113.55 110.63 2dl1 h SER 72 Ca -0.06 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2dl1 h SER 72 Cb 0.65 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2dl1 h SER 72 CO 0.07 0.73 0.35 0.00 -1.14 0.00 0.00 176.83 176.84 2dl1 h ALA 73 N 1.30 1.35 0.00 3.77 0.00 -1.62 -0.91 119.26 123.15 2dl1 h ALA 73 Ca 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2dl1 h ALA 73 Cb -0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 2dl1 h ALA 73 CO -0.07 0.52 -0.09 0.00 0.00 0.00 0.00 179.25 179.61 2dl1 h ARG 74 N 0.94 0.00 0.18 0.00 3.08 -0.23 -2.82 114.38 115.52 2dl1 h ARG 74 Ca 0.24 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.01 2dl1 h ARG 74 Cb 0.06 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.13 2dl1 h ARG 74 CO -0.04 0.09 -1.30 1.96 -1.07 0.00 0.00 179.97 179.61 2dl1 h GLN 75 N 0.00 0.37 0.00 0.04 4.20 -0.49 -3.28 115.11 115.95 2dl1 h GLN 75 Ca -0.00 -0.64 0.00 0.00 0.06 0.00 0.00 58.65 58.07 2dl1 h GLN 75 Cb 0.74 0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.75 2dl1 h GLN 75 CO 0.01 1.31 0.00 0.52 -0.67 0.00 0.00 178.83 180.00 2dl1 h MET 76 N -0.13 0.00 -0.02 1.46 0.00 -1.19 -3.04 114.93 112.01 2dl1 h MET 76 Ca -0.25 0.00 -0.02 0.00 0.00 0.00 0.00 59.70 59.43 2dl1 h MET 76 Cb 1.90 0.00 0.00 0.00 0.00 0.00 0.00 31.60 33.50 2dl1 h MET 76 CO 0.17 0.00 -0.06 1.96 0.00 0.00 0.00 176.91 178.98 2dl1 h GLN 77 N 0.00 0.07 0.40 1.72 4.20 -1.57 -3.18 115.11 116.75 2dl1 h GLN 77 Ca 0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2dl1 h GLN 77 Cb 0.41 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2dl1 h GLN 77 CO 0.00 0.68 -0.39 1.96 -0.67 0.00 0.00 178.83 180.41 2dl1 h GLN 78 N -0.53 -0.78 -0.93 1.46 4.20 -1.59 -2.67 115.11 114.26 2dl1 h GLN 78 Ca -0.00 0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.90 2dl1 h GLN 78 Cb 0.69 0.18 -0.15 0.00 0.30 0.00 0.00 27.48 28.50 2dl1 h GLN 78 CO 0.01 -0.52 -0.39 -0.22 -0.67 0.00 0.00 178.83 177.04 2dl1 h LYS 79 N -0.81 -0.03 -0.27 1.46 1.63 -1.67 0.12 116.57 117.00 2dl1 h LYS 79 Ca -0.03 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.83 2dl1 h LYS 79 Cb 0.72 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.28 2dl1 h LYS 79 CO -0.06 -0.02 -0.31 0.52 -3.45 0.00 0.00 179.45 176.13 2dl1 h MET 80 N -0.03 -0.30 -0.45 1.90 2.86 -1.48 -1.86 114.93 115.58 2dl1 h MET 80 Ca 0.32 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 58.06 2dl1 h MET 80 Cb 0.58 0.07 -0.10 0.00 0.06 0.00 0.00 31.60 32.21 2dl1 h MET 80 CO -0.94 -0.20 -0.30 0.87 1.06 0.00 0.00 176.91 177.41 2dl1 h LYS 81 N -0.31 -0.20 -0.67 1.72 1.57 -0.46 0.44 116.57 118.66 2dl1 h LYS 81 Ca 0.14 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.11 2dl1 h LYS 81 Cb 0.53 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 2dl1 h LYS 81 CO -0.44 -0.13 0.47 0.93 -0.57 0.00 0.00 179.45 179.71 2dl1 h GLU 82 N -0.20 0.08 0.12 3.15 3.07 -0.57 0.44 114.58 120.67 2dl1 h GLU 82 Ca 0.20 -0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.78 2dl1 h GLU 82 Cb 0.52 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2dl1 h GLU 82 CO -0.56 0.05 -1.23 1.15 -1.40 0.00 0.00 179.01 177.02 2dl1 h THR 83 N 0.08 1.51 0.28 1.13 2.02 0.46 -3.28 112.91 115.11 2dl1 h THR 83 Ca 0.32 -3.08 0.00 0.00 0.77 0.00 0.00 66.41 64.43 2dl1 h THR 83 Cb 1.16 2.94 -0.02 0.00 -1.74 0.00 0.00 68.15 70.50 2dl1 h THR 83 CO -0.03 0.90 -0.28 0.25 0.37 0.00 0.00 175.52 176.73 2dl1 h LEU 84 N 0.07 -0.75 -2.05 2.58 5.85 0.16 0.32 115.31 121.49 2dl1 h LEU 84 Ca -0.13 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.77 2dl1 h LEU 84 Cb 1.97 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 43.24 2dl1 h LEU 84 CO 0.20 -0.40 0.31 0.06 -0.34 0.00 0.00 178.44 178.27 2dl1 h GLN 85 N -0.59 0.00 0.07 1.25 3.07 -1.61 0.20 115.11 117.51 2dl1 h GLN 85 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.47 2dl1 h GLN 85 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 2dl1 h GLN 85 CO -0.06 0.00 -1.29 -0.91 0.09 0.00 0.00 178.83 176.66 2dl1 h ASN 86 N 0.00 0.24 0.05 0.06 -0.26 -1.33 -3.34 115.58 111.00 2dl1 h ASN 86 Ca 0.18 -0.29 -0.00 0.00 -0.56 0.00 0.00 56.30 55.62 2dl1 h ASN 86 Cb 0.80 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.98 2dl1 h ASN 86 CO -0.00 1.24 -0.02 0.58 -1.06 0.00 0.00 177.43 178.16 2dl1 h VAL 87 N 0.04 1.29 -1.43 2.81 2.07 0.17 -3.12 116.25 118.08 2dl1 h VAL 87 Ca -0.14 -1.54 0.46 0.00 0.82 0.00 0.00 66.70 66.30 2dl1 h VAL 87 Cb 1.93 2.24 -0.12 0.00 -1.52 0.00 0.00 31.29 33.82 2dl1 h VAL 87 CO 0.16 0.36 0.95 0.03 0.02 0.00 0.00 177.57 179.09 2dl1 h ARG 88 N -0.80 0.06 -0.02 1.57 3.08 -0.86 0.55 114.38 117.95 2dl1 h ARG 88 Ca -0.01 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2dl1 h ARG 88 Cb 0.65 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2dl1 h ARG 88 CO 0.01 0.04 -0.19 1.15 -1.07 0.00 0.00 179.97 179.91 2dl1 h THR 89 N 0.06 1.50 -0.57 2.04 2.02 -1.68 -2.91 112.91 113.37 2dl1 h THR 89 Ca 0.83 -1.75 0.09 0.00 0.77 0.00 0.00 66.41 66.36 2dl1 h THR 89 Cb 2.78 2.57 -0.07 0.00 -1.74 0.00 0.00 68.15 71.69 2dl1 h THR 89 CO -0.34 0.48 0.17 0.03 0.37 0.00 0.00 175.52 176.23 2dl1 h ARG 90 N -0.44 0.31 0.00 6.66 2.47 0.12 0.20 114.38 123.70 2dl1 h ARG 90 Ca -0.02 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 2dl1 h ARG 90 Cb 0.88 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2dl1 h ARG 90 CO 0.04 0.21 -0.13 1.25 0.56 0.00 0.00 179.97 181.90 2dl1 h LEU 91 N 0.32 0.00 0.04 3.04 5.85 -1.34 -2.40 115.31 120.83 2dl1 h LEU 91 Ca 0.29 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 2dl1 h LEU 91 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2dl1 h LEU 91 CO -0.33 0.13 -0.02 -0.08 -0.34 0.00 0.00 178.44 177.80 2dl1 h GLU 92 N 0.00 -0.06 -1.00 1.25 4.81 -0.54 -2.74 114.58 116.30 2dl1 h GLU 92 Ca -0.00 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.45 2dl1 h GLU 92 Cb 0.38 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.66 2dl1 h GLU 92 CO 0.02 0.13 0.61 0.82 -0.73 0.00 0.00 179.01 179.85 2dl1 h ILE 93 N -1.01 0.63 -0.09 2.32 2.04 -0.79 1.03 117.51 121.65 2dl1 h ILE 93 Ca -0.01 -0.23 -0.13 0.00 1.00 0.00 0.00 64.86 65.49 2dl1 h ILE 93 Cb 0.21 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 2dl1 h ILE 93 CO 0.01 0.12 -0.53 -0.07 0.00 0.00 0.00 178.15 177.69 2dl1 h LEU 94 N 0.67 0.27 0.00 1.44 3.38 -1.55 -2.92 115.31 116.60 2dl1 h LEU 94 Ca 0.60 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.44 2dl1 h LEU 94 Cb 1.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2dl1 h LEU 94 CO -0.41 0.75 -0.50 -0.33 0.09 0.00 0.00 178.44 178.04 2dl1 h GLU 95 N 0.19 0.00 0.00 1.13 5.08 -0.10 -2.95 114.58 117.94 2dl1 h GLU 95 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dl1 h GLU 95 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2dl1 h GLU 95 CO 0.08 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.96 2dl1 h LYS 96 N 0.00 0.00 0.00 2.33 1.79 0.11 -3.30 116.57 117.49 2dl1 h LYS 96 Ca 0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 2dl1 h LYS 96 Cb 0.89 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.39 2dl1 h LYS 96 CO 0.00 0.00 -0.33 0.41 -1.08 0.00 0.00 179.45 178.45 2dl1 n GLY 97 N -0.46 1.16 0.14 3.86 0.00 -1.23 -5.02 105.19 103.64 2dl1 n GLY 97 Ca 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 2dl1 n GLY 97 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dl1 h LEU 98 N 2.02 -0.73 0.68 0.99 7.12 -1.61 0.48 115.31 124.26 2dl1 h LEU 98 Ca -0.28 0.11 -0.03 0.00 0.13 0.00 0.00 57.88 57.80 2dl1 h LEU 98 Cb 1.28 0.32 0.01 0.00 -0.53 0.00 0.00 40.66 41.74 2dl1 h LEU 98 CO -0.06 -0.08 -0.33 0.00 -0.13 0.00 0.00 178.44 177.84 2dl1 h ALA 99 N -0.50 -1.09 -1.77 1.25 0.00 -1.93 -3.33 119.26 111.88 2dl1 h ALA 99 Ca 0.05 -0.20 -0.79 0.00 0.00 0.00 0.00 54.91 53.97 2dl1 h ALA 99 Cb 0.14 0.35 -0.25 0.00 0.00 0.00 0.00 17.79 18.03 2dl1 h ALA 99 CO -0.32 -1.03 1.04 2.41 0.00 0.00 0.00 179.25 181.36 2dl1 n THR 100 N -4.77 4.97 -3.46 0.00 -1.04 -1.08 -4.99 114.28 103.91 2dl1 n THR 100 Ca -0.11 -5.47 -0.38 0.00 -2.04 0.00 0.00 64.05 56.05 2dl1 n THR 100 Cb 0.36 -2.23 -0.08 0.00 -1.82 0.00 0.00 70.33 66.56 2dl1 n THR 100 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2dl1 s SER 101 N -0.56 6.32 0.03 8.00 0.15 0.17 -4.63 113.70 123.17 2dl1 s SER 101 Ca 0.33 0.37 -0.25 0.00 0.70 0.00 0.00 55.95 57.10 2dl1 s SER 101 Cb 0.04 -2.20 -0.05 0.00 -1.71 0.00 0.00 66.02 62.10 2dl1 s SER 101 CO 0.05 -0.06 0.78 -0.76 1.20 0.00 0.00 173.24 174.46 2dl1 s LEU 102 N 1.37 4.42 0.00 3.45 2.01 -1.26 -5.02 118.68 123.66 2dl1 s LEU 102 Ca 0.15 1.44 0.00 0.00 0.01 0.00 0.00 54.13 55.74 2dl1 s LEU 102 Cb -0.15 -3.26 0.00 0.00 0.01 0.00 0.00 46.19 42.80 2dl1 s LEU 102 CO 0.07 -0.03 0.00 1.67 1.01 0.00 0.00 176.35 179.07 2dl1 n GLN 103 N 3.06 0.00 -3.15 1.70 7.27 -1.26 -5.13 117.38 119.87 2dl1 n GLN 103 Ca -0.01 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.11 2dl1 n GLN 103 Cb 0.50 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.13 2dl1 n GLN 103 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2dl1 s ASN 104 N 0.00 -0.01 -0.28 1.69 0.01 -1.26 -5.14 114.94 109.94 2dl1 s ASN 104 Ca 0.00 0.01 -0.14 0.00 -0.71 0.00 0.00 52.86 52.02 2dl1 s ASN 104 Cb 0.00 1.01 -0.04 0.00 0.41 0.00 0.00 41.25 42.64 2dl1 s ASN 104 CO 0.00 -0.00 0.33 -0.62 -1.51 0.00 0.00 177.10 175.30 2dl1 s ASP 105 N 2.65 6.19 -0.09 -1.22 2.15 -1.26 -4.93 116.67 120.16 2dl1 s ASP 105 Ca -0.07 0.14 0.16 0.00 0.43 0.00 0.00 52.55 53.21 2dl1 s ASP 105 Cb -0.05 -2.19 0.55 0.00 -0.30 0.00 0.00 42.92 40.93 2dl1 s ASP 105 CO -0.10 -0.17 1.47 0.18 -0.17 0.00 0.00 175.17 176.38 2dl1 n LEU 106 N 5.28 4.00 -4.44 -1.34 4.77 -1.26 -4.90 117.00 119.11 2dl1 n LEU 106 Ca -0.10 -2.41 -0.44 0.00 -0.03 0.00 0.00 56.01 53.04 2dl1 n LEU 106 Cb 0.51 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 2dl1 n LEU 106 CO 0.37 0.77 -0.01 -1.58 -1.33 0.00 0.00 177.39 175.60 2dl1 s GLN 107 N -1.76 2.99 0.24 3.23 2.00 -1.26 -5.05 119.66 120.05 2dl1 s GLN 107 Ca 0.41 -1.12 -0.31 0.00 -2.00 0.00 0.00 55.36 52.34 2dl1 s GLN 107 Cb 0.27 -4.04 -0.13 0.00 0.80 0.00 0.00 33.01 29.91 2dl1 s GLN 107 CO 0.19 -0.87 1.44 -1.91 -0.50 0.00 0.00 175.29 173.65 2dl1 n GLU 108 N 5.23 2.13 -3.26 1.67 2.13 -1.26 -4.97 120.64 122.32 2dl1 n GLU 108 Ca -0.11 0.76 -0.36 0.00 0.66 0.00 0.00 57.16 58.11 2dl1 n GLU 108 Cb 0.46 -2.44 -0.06 0.00 0.27 0.00 0.00 31.44 29.67 2dl1 n GLU 108 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2dl1 s VAL 109 N 0.00 4.74 0.40 6.31 -7.23 -1.26 -5.05 120.40 118.31 2dl1 s VAL 109 Ca 0.68 1.01 -0.25 0.00 -1.81 0.00 0.00 61.98 61.61 2dl1 s VAL 109 Cb -0.63 -3.78 -0.08 0.00 0.56 0.00 0.00 36.38 32.44 2dl1 s VAL 109 CO 0.49 0.23 1.19 -2.16 -0.31 0.00 0.00 175.10 174.54 2dl1 s PRO 110 N -1.96 4.03 -0.52 4.82 0.04 -1.26 -5.00 135.00 135.16 2dl1 s PRO 110 Ca 0.40 1.88 -0.18 0.00 0.04 0.00 0.00 61.00 63.14 2dl1 s PRO 110 Cb -0.16 -2.68 0.08 0.00 0.04 0.00 0.00 34.50 31.78 2dl1 s PRO 110 CO 0.20 -0.35 0.58 -1.12 0.04 0.00 0.00 177.00 176.35 2dl1 s SER 111 N -1.08 6.20 0.07 6.66 0.01 -1.26 -5.03 113.70 119.27 2dl1 s SER 111 Ca 0.57 -1.18 -0.03 0.00 1.31 0.00 0.00 55.95 56.62 2dl1 s SER 111 Cb -0.32 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2dl1 s SER 111 CO 0.40 -0.88 0.04 -0.83 0.41 0.00 0.00 173.24 172.37 2dl1 s GLY 112 N 2.94 0.44 0.00 3.44 0.00 -1.26 -5.02 107.32 107.86 2dl1 s GLY 112 Ca 0.11 -1.10 0.15 0.00 0.00 0.00 0.00 44.72 43.89 2dl1 s GLY 112 CO 0.09 -1.19 1.38 -1.55 0.00 0.00 0.00 173.10 171.82 2dl1 n PRO 113 N 0.04 0.33 -0.27 2.90 -0.04 -1.26 -4.98 135.00 131.72 2dl1 n PRO 113 Ca -0.13 0.08 0.04 0.00 -0.04 0.00 0.00 63.50 63.45 2dl1 n PRO 113 Cb 0.62 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 2dl1 n PRO 113 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dl1 n SER 114 N -1.16 -4.90 0.00 3.54 7.64 -1.26 -4.78 113.62 112.70 2dl1 n SER 114 Ca 0.09 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.26 2dl1 n SER 114 Cb 0.09 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 2dl1 n SER 114 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dl1 n SER 115 N -3.54 0.00 0.00 6.43 2.88 -1.26 -5.30 113.62 112.83 2dl1 n SER 115 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2dl1 n SER 115 Cb 0.12 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.60 2dl1 n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42