#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x48 n SER 2 N 0.00 1.63 -3.72 1.61 7.64 -1.26 -4.95 113.62 114.57 1x48 n SER 2 Ca 0.00 1.12 -0.15 0.00 1.01 0.00 0.00 58.87 60.85 1x48 n SER 2 Cb 0.00 -1.10 -0.15 0.00 -1.01 0.00 0.00 64.21 61.95 1x48 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x48 s SER 3 N 1.81 0.22 -0.15 6.43 0.01 -1.26 -5.14 113.70 115.63 1x48 s SER 3 Ca 0.93 0.28 0.00 0.00 1.31 0.00 0.00 55.95 58.47 1x48 s SER 3 Cb -1.10 0.19 0.03 0.00 0.21 0.00 0.00 66.02 65.34 1x48 s SER 3 CO 0.59 -0.18 -0.12 -0.83 0.41 0.00 0.00 173.24 173.11 1x48 s GLY 4 N 1.57 1.08 -0.55 3.44 0.00 -1.26 -5.08 107.32 106.51 1x48 s GLY 4 Ca -0.05 -0.88 -0.27 0.00 0.00 0.00 0.00 44.72 43.53 1x48 s GLY 4 CO -0.06 0.63 1.81 -0.56 0.00 0.00 0.00 173.10 174.92 1x48 s SER 5 N 1.52 5.46 -0.25 1.64 0.01 -1.26 -4.78 113.70 116.04 1x48 s SER 5 Ca 0.04 0.51 -0.01 0.00 1.31 0.00 0.00 55.95 57.80 1x48 s SER 5 Cb -0.13 -2.53 -0.17 0.00 0.21 0.00 0.00 66.02 63.40 1x48 s SER 5 CO -0.10 -2.19 -0.21 -1.54 0.41 0.00 0.00 173.24 169.61 1x48 n SER 6 N 12.01 1.98 0.00 2.44 3.41 -1.26 -5.02 113.62 127.18 1x48 n SER 6 Ca 0.20 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1x48 n SER 6 Cb 0.51 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1x48 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x48 n GLY 7 N 2.10 -0.07 0.60 5.00 0.00 -1.26 -5.01 105.19 106.56 1x48 n GLY 7 Ca -0.46 -0.06 0.42 0.00 0.00 0.00 0.00 46.02 45.92 1x48 n GLY 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1x48 h TYR 8 N 0.00 0.01 -0.66 1.61 -1.99 -1.95 -1.57 116.97 112.41 1x48 h TYR 8 Ca 0.00 0.00 0.22 0.00 2.00 0.00 0.00 58.73 60.95 1x48 h TYR 8 Cb 0.00 -0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.61 1x48 h TYR 8 CO 0.00 -0.00 0.16 -0.89 -0.00 0.00 0.00 178.16 177.43 1x48 n ILE 9 N -4.09 -0.28 -0.01 -2.88 2.08 -1.26 0.21 119.36 113.13 1x48 n ILE 9 Ca 0.33 1.41 -0.09 0.00 0.56 0.00 0.00 62.75 64.96 1x48 n ILE 9 Cb 1.54 -2.16 -0.14 0.00 -0.75 0.00 0.00 39.64 38.13 1x48 n ILE 9 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1x48 h GLY 10 N 0.00 0.01 -1.07 7.39 0.00 -1.64 -3.36 103.07 104.40 1x48 h GLY 10 Ca 0.47 -0.04 0.43 0.00 0.00 0.00 0.00 47.33 48.20 1x48 h GLY 10 CO -0.58 0.03 0.98 1.41 0.00 0.00 0.00 176.54 178.38 1x48 h LEU 11 N 0.00 0.15 0.06 3.11 3.38 0.23 -0.69 115.31 121.56 1x48 h LEU 11 Ca -0.25 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1x48 h LEU 11 Cb 1.98 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1x48 h LEU 11 CO 0.09 -0.07 -0.03 0.58 0.09 0.00 0.00 178.44 179.10 1x48 h VAL 12 N 0.08 0.00 -1.24 1.22 2.07 -1.65 0.31 116.25 117.04 1x48 h VAL 12 Ca 0.77 -0.42 0.36 0.00 0.82 0.00 0.00 66.70 68.24 1x48 h VAL 12 Cb 2.70 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.42 1x48 h VAL 12 CO -0.22 0.00 1.18 0.78 0.02 0.00 0.00 177.57 179.33 1x48 h ASN 13 N -0.50 0.00 0.02 0.57 2.35 -1.49 0.36 115.58 116.89 1x48 h ASN 13 Ca -0.01 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.37 1x48 h ASN 13 Cb 0.06 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 1x48 h ASN 13 CO 0.01 0.00 -2.11 -1.20 -1.65 0.00 0.00 177.43 172.48 1x48 n SER 14 N -3.54 1.97 -0.18 5.81 7.64 -0.35 -3.87 113.62 121.10 1x48 n SER 14 Ca 0.28 0.23 -0.02 0.00 1.01 0.00 0.00 58.87 60.37 1x48 n SER 14 Cb 1.56 -0.78 0.08 0.00 -1.01 0.00 0.00 64.21 64.06 1x48 n SER 14 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1x48 h PHE 15 N -0.59 0.40 0.85 1.43 3.57 0.33 0.14 116.94 123.07 1x48 h PHE 15 Ca -0.54 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 60.95 1x48 h PHE 15 Cb 1.67 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 40.33 1x48 h PHE 15 CO 0.01 0.14 -0.42 0.00 -2.23 0.00 0.00 178.31 175.81 1x48 h ALA 16 N 1.36 -1.31 -0.60 2.41 0.00 -0.88 -1.31 119.26 118.92 1x48 h ALA 16 Ca 0.27 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1x48 h ALA 16 Cb 0.28 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 1x48 h ALA 16 CO -0.25 -1.23 0.14 0.37 0.00 0.00 0.00 179.25 178.28 1x48 h GLN 17 N -1.16 0.26 -0.40 0.00 4.15 -1.63 0.24 115.11 116.57 1x48 h GLN 17 Ca -0.12 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.35 1x48 h GLN 17 Cb 0.89 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.50 1x48 h GLN 17 CO 0.19 0.17 0.27 0.87 -1.93 0.00 0.00 178.83 178.41 1x48 h LYS 18 N 0.27 0.26 -0.62 1.69 1.57 -0.64 0.94 116.57 120.04 1x48 h LYS 18 Ca 0.32 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1x48 h LYS 18 Cb 0.47 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1x48 h LYS 18 CO -0.40 0.17 0.03 1.63 -0.57 0.00 0.00 179.45 180.31 1x48 n LYS 19 N -4.47 4.58 -3.36 3.15 4.01 0.44 -4.91 118.16 117.60 1x48 n LYS 19 Ca 0.05 -2.96 -0.23 0.00 -0.51 0.00 0.00 58.31 54.67 1x48 n LYS 19 Cb 0.28 -2.22 -0.01 0.00 -0.51 0.00 0.00 35.03 32.57 1x48 n LYS 19 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1x48 n LYS 20 N 0.52 -3.17 -2.64 1.97 4.01 0.33 -4.94 118.16 114.24 1x48 n LYS 20 Ca 0.27 0.43 -0.22 0.00 -0.51 0.00 0.00 58.31 58.28 1x48 n LYS 20 Cb 1.16 -5.12 0.08 0.00 -0.51 0.00 0.00 35.03 30.65 1x48 n LYS 20 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1x48 s LEU 21 N -6.42 3.08 -0.22 -0.35 1.43 0.54 -4.99 118.68 111.75 1x48 s LEU 21 Ca 0.39 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 1x48 s LEU 21 Cb -0.21 -2.23 0.05 0.00 0.03 0.00 0.00 46.19 43.83 1x48 s LEU 21 CO 0.48 -1.59 -0.11 -0.44 0.23 0.00 0.00 176.35 174.92 1x48 s SER 22 N -4.63 3.80 -0.17 2.29 0.01 -1.26 -4.45 113.70 109.28 1x48 s SER 22 Ca 0.63 -1.08 -0.07 0.00 1.31 0.00 0.00 55.95 56.74 1x48 s SER 22 Cb -0.07 -1.38 -0.04 0.00 0.21 0.00 0.00 66.02 64.74 1x48 s SER 22 CO 0.42 -0.15 0.06 0.54 0.41 0.00 0.00 173.24 174.52 1x48 s VAL 23 N 1.27 4.77 0.20 3.43 0.11 -1.26 -3.10 120.40 125.82 1x48 s VAL 23 Ca -0.04 -0.04 0.08 0.00 -2.93 0.00 0.00 61.98 59.05 1x48 s VAL 23 Cb -0.17 -3.14 -0.05 0.00 -1.53 0.00 0.00 36.38 31.49 1x48 s VAL 23 CO -0.07 0.48 -0.15 0.21 -3.33 0.00 0.00 175.10 172.23 1x48 s ASN 24 N 0.24 2.64 -0.29 3.54 3.84 0.90 -4.96 114.94 120.85 1x48 s ASN 24 Ca 0.04 -1.00 -0.01 0.00 0.21 0.00 0.00 52.86 52.10 1x48 s ASN 24 Cb -0.12 -0.15 0.09 0.00 -0.55 0.00 0.00 41.25 40.52 1x48 s ASN 24 CO 0.00 -0.14 0.09 -0.31 -2.79 0.00 0.00 177.10 173.95 1x48 s TYR 25 N -2.81 1.45 -0.04 0.43 1.51 -1.25 -0.42 117.35 116.22 1x48 s TYR 25 Ca 0.22 -1.49 -0.26 0.00 -1.01 0.00 0.00 57.07 54.53 1x48 s TYR 25 Cb -0.02 -1.50 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1x48 s TYR 25 CO 0.07 -0.83 0.80 -1.21 -1.11 0.00 0.00 175.55 173.28 1x48 s GLU 26 N 1.71 4.48 -0.17 -0.62 0.41 -0.34 -4.69 118.70 119.48 1x48 s GLU 26 Ca 0.07 1.07 -0.04 0.00 -0.41 0.00 0.00 54.97 55.66 1x48 s GLU 26 Cb -0.17 -3.45 -0.03 0.00 -1.78 0.00 0.00 34.13 28.70 1x48 s GLU 26 CO -0.23 0.03 -0.02 -0.65 -0.49 0.00 0.00 175.26 173.89 1x48 s GLN 27 N 0.87 3.68 0.82 1.61 -0.21 -1.26 0.07 119.66 125.23 1x48 s GLN 27 Ca 0.43 -0.51 -0.12 0.00 0.02 0.00 0.00 55.36 55.17 1x48 s GLN 27 Cb -0.19 -2.97 0.09 0.00 1.00 0.00 0.00 33.01 30.94 1x48 s GLN 27 CO 0.22 0.18 1.18 0.00 -2.12 0.00 0.00 175.29 174.75 1x48 s GLU 29 N -4.32 4.40 0.00 0.00 8.01 -1.26 -4.91 118.70 120.63 1x48 s GLU 29 Ca 0.70 1.15 0.15 0.00 0.01 0.00 0.00 54.97 56.99 1x48 s GLU 29 Cb -0.26 -2.65 0.88 0.00 -4.31 0.00 0.00 34.13 27.79 1x48 s GLU 29 CO 0.52 0.22 1.36 -0.35 0.01 0.00 0.00 175.26 177.03 1x48 n PRO 30 N 0.25 0.40 -0.28 0.39 -0.04 -1.26 -3.89 135.00 130.57 1x48 n PRO 30 Ca 0.02 0.04 0.22 0.00 -0.04 0.00 0.00 63.50 63.75 1x48 n PRO 30 Cb 0.51 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.89 1x48 n PRO 30 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1x48 n ASN 31 N -1.09 0.17 -4.67 3.54 5.15 -1.26 -4.41 115.26 112.69 1x48 n ASN 31 Ca 0.10 1.42 -0.31 0.00 -0.60 0.00 0.00 54.58 55.20 1x48 n ASN 31 Cb 0.07 -0.63 0.16 0.00 -0.53 0.00 0.00 39.78 38.85 1x48 n ASN 31 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1x48 s SER 32 N -4.73 3.01 0.74 1.20 0.15 -1.25 -5.04 113.70 107.78 1x48 s SER 32 Ca -0.09 2.03 -0.03 0.00 0.70 0.00 0.00 55.95 58.56 1x48 s SER 32 Cb 0.28 -2.52 0.09 0.00 -1.71 0.00 0.00 66.02 62.16 1x48 s SER 32 CO 0.66 -3.02 0.58 -1.84 1.20 0.00 0.00 173.24 170.83 1x48 n GLU 33 N -4.17 -0.12 -2.25 5.44 0.00 -1.26 -4.97 120.64 113.30 1x48 n GLU 33 Ca 0.10 -1.27 -0.30 0.00 0.00 0.00 0.00 57.16 55.70 1x48 n GLU 33 Cb 0.53 -0.49 -0.00 0.00 0.00 0.00 0.00 31.44 31.47 1x48 n GLU 33 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 1x48 s LEU 34 N 0.00 3.45 0.26 -1.84 2.34 -1.26 -4.08 118.68 117.56 1x48 s LEU 34 Ca 0.36 1.27 -0.29 0.00 0.06 0.00 0.00 54.13 55.53 1x48 s LEU 34 Cb -0.02 -4.26 -0.09 0.00 -0.56 0.00 0.00 46.19 41.26 1x48 s LEU 34 CO 0.25 -0.71 1.26 -2.16 -1.06 0.00 0.00 176.35 173.93 1x48 s PRO 35 N -4.79 4.43 -0.32 1.48 0.04 -1.26 -5.14 135.00 129.44 1x48 s PRO 35 Ca 0.53 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.53 1x48 s PRO 35 Cb -0.11 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.28 1x48 s PRO 35 CO 0.46 -0.12 0.16 -0.65 0.04 0.00 0.00 177.00 176.88 1x48 s GLN 36 N -1.01 3.25 0.53 4.56 -0.21 -1.26 -5.09 119.66 120.44 1x48 s GLN 36 Ca 0.51 -0.78 0.06 0.00 0.02 0.00 0.00 55.36 55.18 1x48 s GLN 36 Cb -0.37 -3.58 0.03 0.00 1.00 0.00 0.00 33.01 30.10 1x48 s GLN 36 CO 0.44 -0.46 0.44 -0.98 -2.12 0.00 0.00 175.29 172.62 1x48 s ARG 37 N 1.60 2.29 -0.13 2.91 1.04 -1.26 -5.05 118.95 120.35 1x48 s ARG 37 Ca 0.04 -1.91 -0.18 0.00 -1.04 0.00 0.00 55.73 52.64 1x48 s ARG 37 Cb -0.17 -2.19 -0.04 0.00 -2.04 0.00 0.00 34.95 30.50 1x48 s ARG 37 CO 0.06 -0.58 0.48 -0.06 -0.04 0.00 0.00 175.30 175.16 1x48 s PHE 38 N -2.72 3.49 0.04 5.89 0.40 0.19 -4.96 117.98 120.32 1x48 s PHE 38 Ca 0.39 0.87 0.09 0.00 -0.60 0.00 0.00 56.93 57.68 1x48 s PHE 38 Cb -0.03 -2.56 -0.03 0.00 0.51 0.00 0.00 43.02 40.91 1x48 s PHE 38 CO 0.24 0.13 -0.25 0.42 0.70 0.00 0.00 175.22 176.46 1x48 s ILE 39 N 0.77 2.03 -0.08 0.64 1.09 -1.26 -0.02 121.20 124.37 1x48 s ILE 39 Ca 0.25 -1.34 -0.05 0.00 -1.10 0.00 0.00 60.65 58.41 1x48 s ILE 39 Cb -0.15 -1.74 0.03 0.00 -1.06 0.00 0.00 42.46 39.54 1x48 s ILE 39 CO 0.10 0.33 0.19 0.00 -0.10 0.00 0.00 174.94 175.46 1x48 s LYS 41 N 0.60 2.09 -0.30 0.00 1.02 0.11 -0.45 119.74 122.80 1x48 s LYS 41 Ca -0.04 -1.46 -0.29 0.00 0.02 0.00 0.00 55.97 54.20 1x48 s LYS 41 Cb -0.06 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.28 1x48 s LYS 41 CO -0.03 -0.65 1.54 0.00 -0.92 0.00 0.00 175.35 175.29 1x48 s LYS 43 N 4.83 2.65 -0.24 0.00 1.02 0.44 -2.45 119.74 125.99 1x48 s LYS 43 Ca 0.68 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.95 1x48 s LYS 43 Cb -0.20 -2.05 0.05 0.00 -0.52 0.00 0.00 37.83 35.11 1x48 s LYS 43 CO 0.30 0.12 -0.13 0.42 -0.92 0.00 0.00 175.35 175.13 1x48 s ILE 44 N 0.48 2.16 -0.94 2.17 1.01 -0.07 -0.07 121.20 125.94 1x48 s ILE 44 Ca -0.17 -1.47 -0.03 0.00 0.00 0.00 0.00 60.65 58.99 1x48 s ILE 44 Cb -0.17 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1x48 s ILE 44 CO 0.07 0.11 0.80 0.61 0.00 0.00 0.00 174.94 176.52 1x48 n GLY 45 N 4.48 -0.16 2.45 6.18 0.00 -1.18 -2.37 105.19 114.59 1x48 n GLY 45 Ca -0.16 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 1x48 n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x48 n GLN 46 N -3.54 -1.40 -4.90 1.61 6.02 -1.26 -4.98 117.38 108.93 1x48 n GLN 46 Ca -0.13 1.03 -0.28 0.00 -0.01 0.00 0.00 57.00 57.62 1x48 n GLN 46 Cb 0.59 -5.45 -0.17 0.00 1.02 0.00 0.00 30.24 26.24 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1x48 s THR 47 N -2.82 1.58 0.02 5.09 2.01 -1.00 -5.12 115.64 115.40 1x48 s THR 47 Ca 0.00 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 1x48 s THR 47 Cb 0.00 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 1x48 s THR 47 CO 0.00 0.45 1.07 -0.32 -0.69 0.00 0.00 174.62 175.13 1x48 s MET 48 N 0.39 4.50 0.11 4.92 1.75 -1.26 -0.89 119.30 128.82 1x48 s MET 48 Ca -0.14 1.56 0.00 0.00 -1.25 0.00 0.00 55.69 55.86 1x48 s MET 48 Cb -0.16 -3.42 0.00 0.00 2.84 0.00 0.00 34.83 34.09 1x48 s MET 48 CO 0.05 -0.14 0.00 0.66 -0.65 0.00 0.00 175.02 174.94 1x48 n TYR 49 N 3.96 -0.20 -4.12 4.11 4.02 -1.02 -4.96 117.16 118.94 1x48 n TYR 49 Ca 0.07 0.04 -0.09 0.00 -0.01 0.00 0.00 57.90 57.91 1x48 n TYR 49 Cb 0.49 0.05 -0.10 0.00 -0.02 0.00 0.00 39.34 39.76 1x48 n TYR 49 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1x48 s GLY 50 N -4.05 0.62 -0.12 2.72 0.00 -1.16 -4.48 107.32 100.85 1x48 s GLY 50 Ca 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 44.72 43.45 1x48 s GLY 50 CO 0.00 -1.33 0.19 -1.59 0.00 0.00 0.00 173.10 170.37 1x48 s THR 51 N -3.50 -0.31 0.27 0.90 2.01 -1.26 0.15 115.64 113.90 1x48 s THR 51 Ca 0.07 0.25 0.10 0.00 0.31 0.00 0.00 61.69 62.42 1x48 s THR 51 Cb 0.05 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 1x48 s THR 51 CO -0.06 0.07 -0.00 -0.83 -0.69 0.00 0.00 174.62 173.11 1x48 s GLY 52 N 2.33 1.65 -0.18 4.40 0.00 0.40 -4.70 107.32 111.22 1x48 s GLY 52 Ca 0.03 -1.65 -0.07 0.00 0.00 0.00 0.00 44.72 43.03 1x48 s GLY 52 CO -0.08 -1.71 0.39 -1.35 0.00 0.00 0.00 173.10 170.35 1x48 s SER 53 N -3.67 -0.21 0.28 1.64 1.04 -1.26 -0.68 113.70 110.85 1x48 s SER 53 Ca 0.31 0.92 -0.07 0.00 0.48 0.00 0.00 55.95 57.59 1x48 s SER 53 Cb -0.06 1.16 -0.01 0.00 0.10 0.00 0.00 66.02 67.21 1x48 s SER 53 CO 0.20 -0.23 0.42 -0.83 0.98 0.00 0.00 173.24 173.78 1x48 s GLY 54 N 2.39 1.07 0.21 7.32 0.00 0.97 -4.75 107.32 114.53 1x48 s GLY 54 Ca -0.03 -1.27 -0.09 0.00 0.00 0.00 0.00 44.72 43.33 1x48 s GLY 54 CO -0.12 -0.91 1.82 -0.39 0.00 0.00 0.00 173.10 173.51 1x48 h VAL 55 N 2.26 1.24 -3.65 1.40 -1.51 -1.95 0.56 116.25 114.60 1x48 h VAL 55 Ca -0.29 -0.62 -0.67 0.00 -1.23 0.00 0.00 66.70 63.89 1x48 h VAL 55 Cb 1.25 0.21 -0.17 0.00 -2.13 0.00 0.00 31.29 30.44 1x48 h VAL 55 CO 0.40 0.27 -0.73 -0.89 -1.23 0.00 0.00 177.57 175.39 1x48 s THR 56 N -5.80 3.41 0.23 7.19 2.01 -1.26 -3.99 115.64 117.43 1x48 s THR 56 Ca -0.13 -1.03 -0.16 0.00 0.31 0.00 0.00 61.69 60.68 1x48 s THR 56 Cb 0.15 -2.52 0.27 0.00 0.01 0.00 0.00 72.50 70.41 1x48 s THR 56 CO 0.81 0.27 1.56 0.50 -0.69 0.00 0.00 174.62 177.08 1x48 h LYS 57 N 4.16 -0.02 -0.19 4.92 3.64 -1.91 -1.34 116.57 125.82 1x48 h LYS 57 Ca -0.48 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1x48 h LYS 57 Cb 1.16 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1x48 h LYS 57 CO 0.52 -0.02 -0.23 1.96 -2.27 0.00 0.00 179.45 179.41 1x48 h GLN 58 N -0.02 -0.15 -0.93 1.90 4.20 -1.96 0.55 115.11 118.70 1x48 h GLN 58 Ca 0.36 0.01 0.31 0.00 0.06 0.00 0.00 58.65 59.39 1x48 h GLN 58 Cb 0.62 0.03 -0.17 0.00 0.30 0.00 0.00 27.48 28.26 1x48 h GLN 58 CO -0.94 -0.10 0.21 -1.91 -0.67 0.00 0.00 178.83 175.43 1x48 n GLU 59 N -3.83 -0.07 0.00 1.46 4.07 -0.53 0.83 120.64 122.58 1x48 n GLU 59 Ca -0.01 1.35 0.00 0.00 -0.06 0.00 0.00 57.16 58.43 1x48 n GLU 59 Cb 0.14 -2.25 0.00 0.00 -0.06 0.00 0.00 31.44 29.27 1x48 n GLU 59 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x48 n ALA 60 N -2.84 -0.10 0.04 4.31 0.00 0.03 -2.28 120.51 119.67 1x48 n ALA 60 Ca 0.27 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.88 1x48 n ALA 60 Cb 0.91 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.73 1x48 n ALA 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1x48 h LYS 61 N 0.00 0.00 0.00 0.00 3.64 0.52 -1.49 116.57 119.24 1x48 h LYS 61 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x48 h LYS 61 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1x48 h LYS 61 CO 0.00 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 178.22 1x48 n GLN 62 N -3.03 0.00 -0.33 1.90 6.02 0.24 -4.02 117.38 118.17 1x48 n GLN 62 Ca 0.12 0.37 0.04 0.00 -0.01 0.00 0.00 57.00 57.51 1x48 n GLN 62 Cb 1.16 -0.91 0.11 0.00 1.02 0.00 0.00 30.24 31.62 1x48 n GLN 62 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1x48 h LEU 63 N 0.00 -0.92 -0.71 1.08 3.38 -0.88 -0.15 115.31 117.11 1x48 h LEU 63 Ca 0.00 0.28 0.09 0.00 0.09 0.00 0.00 57.88 58.34 1x48 h LEU 63 Cb 0.00 0.59 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 1x48 h LEU 63 CO 0.00 -0.30 -0.33 0.00 0.09 0.00 0.00 178.44 177.90 1x48 n ALA 64 N -3.49 -0.22 0.06 1.53 0.00 -0.65 0.46 120.51 118.20 1x48 n ALA 64 Ca 0.13 0.67 -0.12 0.00 0.00 0.00 0.00 53.44 54.12 1x48 n ALA 64 Cb 0.45 -0.24 -0.05 0.00 0.00 0.00 0.00 19.45 19.62 1x48 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x48 h ALA 65 N 0.75 -0.42 -0.69 0.00 0.00 -1.15 -2.07 119.26 115.68 1x48 h ALA 65 Ca 0.20 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1x48 h ALA 65 Cb 0.37 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1x48 h ALA 65 CO -0.69 -0.80 -0.41 1.17 0.00 0.00 0.00 179.25 178.53 1x48 n LYS 66 N -5.40 -0.30 -0.37 0.00 4.81 0.17 0.12 118.16 117.19 1x48 n LYS 66 Ca -0.05 1.17 0.03 0.00 -0.87 0.00 0.00 58.31 58.59 1x48 n LYS 66 Cb 0.31 -1.73 0.18 0.00 0.02 0.00 0.00 35.03 33.81 1x48 n LYS 66 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x48 h GLU 67 N 0.00 1.15 0.61 1.64 4.39 -1.26 -2.81 114.58 118.29 1x48 h GLU 67 Ca 0.11 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1x48 h GLU 67 Cb 0.28 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1x48 h GLU 67 CO -0.65 0.76 -0.41 0.00 -1.16 0.00 0.00 179.01 177.55 1x48 h ALA 68 N 1.46 -1.01 -0.39 3.43 0.00 0.16 -1.59 119.26 121.32 1x48 h ALA 68 Ca 0.44 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1x48 h ALA 68 Cb 0.17 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1x48 h ALA 68 CO -0.17 -1.09 -0.28 -0.92 0.00 0.00 0.00 179.25 176.79 1x48 h TYR 69 N -0.97 -0.89 -0.43 0.00 3.20 -0.38 1.06 116.97 118.55 1x48 h TYR 69 Ca -0.07 0.06 0.12 0.00 3.14 0.00 0.00 58.73 61.98 1x48 h TYR 69 Cb 0.80 0.44 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 1x48 h TYR 69 CO -0.13 -0.20 0.42 1.96 -1.64 0.00 0.00 178.16 178.57 1x48 h GLN 70 N -0.06 0.00 0.00 1.82 1.08 -1.52 0.47 115.11 116.90 1x48 h GLN 70 Ca 0.06 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.10 1x48 h GLN 70 Cb 0.23 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1x48 h GLN 70 CO -0.40 0.00 -0.86 -0.22 -0.95 0.00 0.00 178.83 176.40 1x48 h LYS 71 N 0.00 0.00 0.00 1.46 3.11 0.18 -3.27 116.57 118.05 1x48 h LYS 71 Ca 0.20 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.93 1x48 h LYS 71 Cb 1.03 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.24 1x48 h LYS 71 CO -0.00 0.72 -0.96 -0.07 -2.81 0.00 0.00 179.45 176.33 1x48 h LEU 72 N 0.00 0.00 -0.89 5.20 3.38 0.49 -0.39 115.31 123.10 1x48 h LEU 72 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1x48 h LEU 72 Cb 1.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 1x48 h LEU 72 CO 0.10 0.42 -0.09 -0.07 0.09 0.00 0.00 178.44 178.89 1x48 h LEU 73 N 0.00 0.70 0.00 1.67 3.38 -0.78 -3.08 115.31 117.20 1x48 h LEU 73 Ca -0.07 -0.20 -0.35 0.00 0.09 0.00 0.00 57.88 57.35 1x48 h LEU 73 Cb 1.39 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.88 1x48 h LEU 73 CO 0.04 0.83 -2.32 1.17 0.09 0.00 0.00 178.44 178.25 1x48 n LYS 74 N -4.18 0.82 -3.90 1.13 3.00 -1.24 -4.77 118.16 109.01 1x48 n LYS 74 Ca 0.01 0.04 -0.29 0.00 -0.00 0.00 0.00 58.31 58.07 1x48 n LYS 74 Cb 0.34 -1.48 -0.13 0.00 0.00 0.00 0.00 35.03 33.76 1x48 n LYS 74 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1x48 s SER 75 N -5.65 4.38 1.01 3.14 0.01 -0.16 -5.11 113.70 111.33 1x48 s SER 75 Ca -0.17 -3.30 -0.12 0.00 1.31 0.00 0.00 55.95 53.67 1x48 s SER 75 Cb 0.06 -1.56 0.19 0.00 0.21 0.00 0.00 66.02 64.93 1x48 s SER 75 CO 0.71 -0.18 1.09 -2.16 0.41 0.00 0.00 173.24 173.11 1x48 s PRO 76 N -0.66 0.34 1.13 12.44 0.04 -1.17 -4.01 135.00 143.11 1x48 s PRO 76 Ca 0.20 0.50 -0.17 0.00 0.04 0.00 0.00 61.00 61.57 1x48 s PRO 76 Cb -0.17 -1.73 0.25 0.00 0.04 0.00 0.00 34.50 32.89 1x48 s PRO 76 CO -0.07 -2.79 1.10 -1.25 0.04 0.00 0.00 177.00 174.04 1x48 s PRO 77 N -4.96 -0.66 0.08 0.56 0.04 -1.26 -4.96 135.00 123.83 1x48 s PRO 77 Ca 0.65 0.14 -0.25 0.00 0.04 0.00 0.00 61.00 61.58 1x48 s PRO 77 Cb -0.19 -1.64 -0.10 0.00 0.04 0.00 0.00 34.50 32.61 1x48 s PRO 77 CO 0.58 -3.38 1.40 -0.22 0.04 0.00 0.00 177.00 175.42 1x48 h LYS 78 N -2.35 -0.46 -6.78 4.56 3.11 -1.96 -3.40 116.57 109.29 1x48 h LYS 78 Ca -0.49 0.03 -0.50 0.00 -2.81 0.00 0.00 60.65 56.89 1x48 h LYS 78 Cb 1.31 0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.64 1x48 h LYS 78 CO 0.43 -0.30 0.41 0.99 -2.81 0.00 0.00 179.45 178.17 1x48 s THR 79 N -4.99 3.77 0.24 1.00 2.01 -1.26 -5.06 115.64 111.36 1x48 s THR 79 Ca -0.12 1.79 0.01 0.00 0.31 0.00 0.00 61.69 63.68 1x48 s THR 79 Cb 0.05 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 1x48 s THR 79 CO 0.44 0.43 0.09 0.00 -0.69 0.00 0.00 174.62 174.89 1x48 s ALA 80 N -1.16 1.62 0.07 7.40 0.00 -1.26 -5.09 121.76 123.35 1x48 s ALA 80 Ca 0.43 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1x48 s ALA 80 Cb -0.29 1.04 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1x48 s ALA 80 CO 0.37 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1x48 n GLY 81 N -0.42 -0.96 3.09 0.00 0.00 -1.26 -5.03 105.19 100.61 1x48 n GLY 81 Ca -0.00 0.20 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1x48 n GLY 81 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x48 n THR 82 N -2.69 -1.44 -3.67 2.61 -1.04 -1.26 -4.94 114.28 101.86 1x48 n THR 82 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1x48 n THR 82 Cb 0.00 -2.64 -0.10 0.00 -1.82 0.00 0.00 70.33 65.77 1x48 n THR 82 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1x48 s SER 83 N -2.63 5.48 0.00 8.00 1.04 -1.26 -4.93 113.70 119.40 1x48 s SER 83 Ca 0.31 -1.78 0.00 0.00 0.48 0.00 0.00 55.95 54.95 1x48 s SER 83 Cb -0.15 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.05 1x48 s SER 83 CO 0.38 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1x48 n GLY 84 N 4.79 -1.54 3.77 7.32 0.00 -1.26 -5.17 105.19 113.10 1x48 n GLY 84 Ca -0.07 0.89 -0.32 0.00 0.00 0.00 0.00 46.02 46.52 1x48 n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x48 s PRO 85 N 0.00 2.50 0.08 1.61 0.04 -1.26 -5.06 135.00 132.91 1x48 s PRO 85 Ca 0.00 1.27 -0.27 0.00 0.04 0.00 0.00 61.00 62.04 1x48 s PRO 85 Cb 0.00 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.70 1x48 s PRO 85 CO 0.00 -1.46 0.96 0.45 0.04 0.00 0.00 177.00 176.98 1x48 s SER 86 N -3.03 -0.24 -0.42 6.66 0.15 -1.26 -5.04 113.70 110.53 1x48 s SER 86 Ca 0.64 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 57.04 1x48 s SER 86 Cb -0.19 0.42 0.24 0.00 -1.71 0.00 0.00 66.02 64.79 1x48 s SER 86 CO 0.49 -0.75 2.13 -0.24 1.20 0.00 0.00 173.24 176.08 1x48 n SER 87 N -0.38 6.75 0.00 5.45 2.88 -1.26 -5.34 113.62 121.71 1x48 n SER 87 Ca -0.07 -3.25 0.00 0.00 -1.33 0.00 0.00 58.87 54.22 1x48 n SER 87 Cb 0.61 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 1x48 n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42