#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x48 s SER 2 N 0.00 -0.14 -0.41 1.61 0.01 -1.26 -5.07 113.70 108.44 1x48 s SER 2 Ca 0.00 -0.64 0.05 0.00 1.31 0.00 0.00 55.95 56.67 1x48 s SER 2 Cb 0.00 0.53 0.44 0.00 0.21 0.00 0.00 66.02 67.20 1x48 s SER 2 CO 0.00 -1.00 1.30 -1.20 0.41 0.00 0.00 173.24 172.75 1x48 n SER 3 N -0.30 5.31 0.00 2.44 7.64 -1.26 -5.03 113.62 122.42 1x48 n SER 3 Ca -0.09 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.04 1x48 n SER 3 Cb 0.63 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1x48 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x48 n GLY 4 N -0.65 2.90 2.99 0.23 0.00 -1.26 -5.15 105.19 104.25 1x48 n GLY 4 Ca 0.45 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1x48 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x48 s SER 5 N 0.00 -0.17 0.24 1.61 0.15 -1.26 -5.04 113.70 109.23 1x48 s SER 5 Ca 0.00 0.42 -0.06 0.00 0.70 0.00 0.00 55.95 57.01 1x48 s SER 5 Cb 0.00 0.31 0.25 0.00 -1.71 0.00 0.00 66.02 64.87 1x48 s SER 5 CO 0.00 -0.16 1.88 -1.28 1.20 0.00 0.00 173.24 174.88 1x48 h SER 6 N 7.25 1.10 0.00 5.45 0.87 -2.07 -3.46 113.55 122.70 1x48 h SER 6 Ca -0.41 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1x48 h SER 6 Cb 1.15 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1x48 h SER 6 CO 0.39 0.87 0.00 0.61 -0.53 0.00 0.00 176.83 178.17 1x48 n GLY 7 N -1.19 2.71 0.18 5.77 0.00 -1.26 -5.01 105.19 106.39 1x48 n GLY 7 Ca 0.10 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -1.03 1.61 -1.99 -1.96 -3.22 116.97 110.38 1x48 h TYR 8 Ca 0.00 0.00 0.39 0.00 2.00 0.00 0.00 58.73 61.12 1x48 h TYR 8 Cb 0.00 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 38.59 1x48 h TYR 8 CO 0.00 0.43 0.61 -0.89 -0.00 0.00 0.00 178.16 178.31 1x48 n ILE 9 N -3.67 -0.30 -0.03 -2.88 2.08 -1.26 0.15 119.36 113.46 1x48 n ILE 9 Ca -0.01 1.69 -0.06 0.00 0.56 0.00 0.00 62.75 64.93 1x48 n ILE 9 Cb 0.52 -2.75 -0.13 0.00 -0.75 0.00 0.00 39.64 36.52 1x48 n ILE 9 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x48 n GLY 10 N -1.33 -1.04 0.28 7.39 0.00 -1.22 -4.45 105.19 104.82 1x48 n GLY 10 Ca 0.34 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1x48 n GLY 10 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x48 h LEU 11 N 0.00 -1.21 -0.65 0.99 3.38 0.13 -2.32 115.31 115.63 1x48 h LEU 11 Ca -0.31 0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1x48 h LEU 11 Cb 1.95 0.50 -0.08 0.00 0.09 0.00 0.00 40.66 43.11 1x48 h LEU 11 CO 0.06 -0.24 -0.43 0.58 0.09 0.00 0.00 178.44 178.50 1x48 h VAL 12 N -0.22 0.00 -0.68 1.22 2.07 -1.74 0.25 116.25 117.15 1x48 h VAL 12 Ca 0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1x48 h VAL 12 Cb 0.36 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.05 1x48 h VAL 12 CO -0.41 0.00 -0.40 0.59 0.02 0.00 0.00 177.57 177.37 1x48 n ASN 13 N -4.64 -0.72 0.35 0.57 3.02 -0.90 -0.47 115.26 112.47 1x48 n ASN 13 Ca 0.01 1.28 -0.14 0.00 -0.03 0.00 0.00 54.58 55.70 1x48 n ASN 13 Cb 0.20 -0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 39.11 1x48 n ASN 13 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1x48 h SER 14 N 0.00 -0.76 -0.69 6.41 0.02 -0.94 -3.07 113.55 114.50 1x48 h SER 14 Ca 0.11 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.19 1x48 h SER 14 Cb 0.28 0.20 -0.11 0.00 0.14 0.00 0.00 62.40 62.91 1x48 h SER 14 CO -0.64 -0.48 -0.29 0.33 -1.14 0.00 0.00 176.83 174.61 1x48 n PHE 15 N -4.78 -0.03 0.02 3.45 -0.00 0.75 -0.50 117.46 116.37 1x48 n PHE 15 Ca -0.11 0.86 -0.07 0.00 -0.00 0.00 0.00 57.45 58.13 1x48 n PHE 15 Cb 0.36 -0.73 -0.04 0.00 -0.00 0.00 0.00 39.48 39.06 1x48 n PHE 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1x48 h ALA 16 N 0.87 -0.67 -0.62 3.13 0.00 -0.77 0.14 119.26 121.34 1x48 h ALA 16 Ca 0.22 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.23 1x48 h ALA 16 Cb 0.40 0.72 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 1x48 h ALA 16 CO -0.68 -0.75 -0.01 0.37 0.00 0.00 0.00 179.25 178.18 1x48 h GLN 17 N -0.28 0.10 -0.96 0.00 4.15 -0.72 0.21 115.11 117.62 1x48 h GLN 17 Ca 0.01 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.53 1x48 h GLN 17 Cb 0.30 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.89 1x48 h GLN 17 CO -0.16 0.07 0.61 0.87 -1.93 0.00 0.00 178.83 178.29 1x48 h LYS 18 N 0.11 0.92 -0.68 1.69 1.57 -0.23 0.20 116.57 120.14 1x48 h LYS 18 Ca 0.32 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1x48 h LYS 18 Cb 0.53 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1x48 h LYS 18 CO -0.54 0.61 0.00 1.63 -0.57 0.00 0.00 179.45 180.58 1x48 n LYS 19 N -4.57 3.35 -2.46 3.15 4.01 0.44 -4.89 118.16 117.19 1x48 n LYS 19 Ca 0.17 -2.04 -0.10 0.00 -0.51 0.00 0.00 58.31 55.83 1x48 n LYS 19 Cb 0.34 -1.91 -0.00 0.00 -0.51 0.00 0.00 35.03 32.95 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 0.51 -2.41 -2.59 1.97 4.76 0.70 -4.93 118.16 116.17 1x48 n LYS 20 Ca 0.18 0.46 -0.23 0.00 -2.87 0.00 0.00 58.31 55.86 1x48 n LYS 20 Cb 0.80 -5.04 0.08 0.00 -1.84 0.00 0.00 35.03 29.03 1x48 n LYS 20 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x48 s LEU 21 N -5.49 3.06 -0.05 -0.35 1.43 0.45 -4.97 118.68 112.76 1x48 s LEU 21 Ca 0.00 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1x48 s LEU 21 Cb -0.00 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 1x48 s LEU 21 CO 0.01 -1.62 -0.23 -0.55 0.23 0.00 0.00 176.35 174.18 1x48 s SER 22 N -4.63 3.22 -0.13 2.29 0.15 -1.26 -4.33 113.70 109.01 1x48 s SER 22 Ca 0.63 -0.46 0.02 0.00 0.70 0.00 0.00 55.95 56.84 1x48 s SER 22 Cb -0.07 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 1x48 s SER 22 CO 0.42 0.27 -0.21 0.54 1.20 0.00 0.00 173.24 175.47 1x48 s VAL 23 N -0.30 2.25 -0.15 4.45 0.11 -1.26 -2.48 120.40 123.01 1x48 s VAL 23 Ca 0.01 -0.93 0.01 0.00 -2.93 0.00 0.00 61.98 58.14 1x48 s VAL 23 Cb -0.13 -1.90 -0.00 0.00 -1.53 0.00 0.00 36.38 32.82 1x48 s VAL 23 CO 0.02 0.54 -0.16 0.21 -3.33 0.00 0.00 175.10 172.39 1x48 s ASN 24 N 0.67 3.63 -0.40 3.54 2.47 0.95 -4.98 114.94 120.81 1x48 s ASN 24 Ca -0.10 -0.47 -0.03 0.00 0.42 0.00 0.00 52.86 52.69 1x48 s ASN 24 Cb -0.16 -1.55 0.11 0.00 -1.45 0.00 0.00 41.25 38.20 1x48 s ASN 24 CO 0.02 0.10 0.20 -0.31 -3.72 0.00 0.00 177.10 173.38 1x48 s TYR 25 N 0.71 3.58 -0.23 0.43 1.51 -1.26 -0.58 117.35 121.52 1x48 s TYR 25 Ca -0.07 -2.41 -0.14 0.00 -1.01 0.00 0.00 57.07 53.43 1x48 s TYR 25 Cb -0.16 -3.19 -0.04 0.00 -0.11 0.00 0.00 41.96 38.46 1x48 s TYR 25 CO 0.01 -0.97 0.34 -2.00 -1.11 0.00 0.00 175.55 171.83 1x48 s GLU 26 N 1.14 4.11 0.32 -0.62 2.56 -0.27 -4.87 118.70 121.08 1x48 s GLU 26 Ca 0.08 0.06 -0.08 0.00 0.00 0.00 0.00 54.97 55.03 1x48 s GLU 26 Cb -0.23 -3.57 -0.06 0.00 2.00 0.00 0.00 34.13 32.28 1x48 s GLU 26 CO -0.04 -0.07 0.64 -0.65 -0.56 0.00 0.00 175.26 174.57 1x48 s GLN 27 N 1.43 3.73 0.40 4.30 1.11 -1.26 0.10 119.66 129.47 1x48 s GLN 27 Ca 0.16 0.24 -0.27 0.00 0.01 0.00 0.00 55.36 55.49 1x48 s GLN 27 Cb -0.15 -2.54 -0.10 0.00 -1.01 0.00 0.00 33.01 29.21 1x48 s GLN 27 CO 0.08 0.14 1.46 0.00 0.01 0.00 0.00 175.29 176.97 1x48 s GLU 29 N -2.21 4.75 -0.50 0.00 1.03 -1.26 -4.91 118.70 115.60 1x48 s GLU 29 Ca 0.56 1.49 -0.27 0.00 0.03 0.00 0.00 54.97 56.77 1x48 s GLU 29 Cb -0.47 -3.14 -0.02 0.00 -0.80 0.00 0.00 34.13 29.70 1x48 s GLU 29 CO 0.62 0.41 1.80 -1.25 -1.33 0.00 0.00 175.26 175.51 1x48 s PRO 30 N -1.44 2.95 0.32 -4.83 0.04 -1.26 -4.98 135.00 125.80 1x48 s PRO 30 Ca 0.44 0.91 0.08 0.00 0.04 0.00 0.00 61.00 62.47 1x48 s PRO 30 Cb -0.25 -4.29 -0.04 0.00 0.04 0.00 0.00 34.50 29.97 1x48 s PRO 30 CO 0.31 -2.33 0.20 -0.80 0.04 0.00 0.00 177.00 174.42 1x48 s ASN 31 N 7.03 5.02 -0.40 6.66 -0.87 -1.26 -5.02 114.94 126.09 1x48 s ASN 31 Ca 0.71 -0.59 -0.01 0.00 -1.57 0.00 0.00 52.86 51.40 1x48 s ASN 31 Cb -0.16 -0.92 0.30 0.00 -0.02 0.00 0.00 41.25 40.46 1x48 s ASN 31 CO 0.26 -0.27 1.97 -1.54 -2.57 0.00 0.00 177.10 174.95 1x48 n SER 32 N -1.22 6.40 -3.89 -1.22 3.41 -1.26 -4.76 113.62 111.07 1x48 n SER 32 Ca -0.03 -3.25 -0.30 0.00 -0.26 0.00 0.00 58.87 55.03 1x48 n SER 32 Cb 0.60 -0.99 -0.14 0.00 -0.26 0.00 0.00 64.21 63.41 1x48 n SER 32 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x48 s GLU 33 N -2.38 1.39 0.61 4.33 8.01 -1.26 -5.11 118.70 124.29 1x48 s GLU 33 Ca 0.40 -1.89 -0.11 0.00 0.01 0.00 0.00 54.97 53.39 1x48 s GLU 33 Cb 0.32 -2.81 -0.04 0.00 -4.31 0.00 0.00 34.13 27.29 1x48 s GLU 33 CO 0.00 -1.03 1.01 -0.51 0.01 0.00 0.00 175.26 174.75 1x48 s LEU 34 N 0.70 3.26 1.03 1.80 1.02 -1.26 -4.49 118.68 120.73 1x48 s LEU 34 Ca 0.13 1.37 -0.13 0.00 0.02 0.00 0.00 54.13 55.52 1x48 s LEU 34 Cb -0.21 -4.41 0.20 0.00 0.02 0.00 0.00 46.19 41.79 1x48 s LEU 34 CO -0.09 -0.86 1.10 -2.16 0.02 0.00 0.00 176.35 174.37 1x48 s PRO 35 N -5.15 0.17 -0.27 1.29 0.04 -1.26 -5.12 135.00 124.70 1x48 s PRO 35 Ca 0.54 0.42 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1x48 s PRO 35 Cb -0.11 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 1x48 s PRO 35 CO 0.53 -2.89 0.25 -1.14 0.04 0.00 0.00 177.00 173.80 1x48 s GLN 36 N -5.01 3.99 -0.04 4.56 2.00 -1.26 -5.07 119.66 118.82 1x48 s GLN 36 Ca 0.66 -0.19 0.06 0.00 -2.00 0.00 0.00 55.36 53.90 1x48 s GLN 36 Cb -0.18 -3.64 -0.01 0.00 0.80 0.00 0.00 33.01 29.98 1x48 s GLN 36 CO 0.57 -0.18 -0.23 0.50 -0.50 0.00 0.00 175.29 175.46 1x48 s ARG 37 N 1.76 2.18 -0.23 1.67 3.52 -1.26 -5.02 118.95 121.57 1x48 s ARG 37 Ca 0.10 -0.83 -0.23 0.00 -0.13 0.00 0.00 55.73 54.64 1x48 s ARG 37 Cb -0.16 -1.94 -0.01 0.00 -1.56 0.00 0.00 34.95 31.28 1x48 s ARG 37 CO 0.10 0.41 0.74 -0.06 -0.81 0.00 0.00 175.30 175.67 1x48 s PHE 38 N -0.28 3.32 -0.09 5.12 0.40 -0.21 -4.94 117.98 121.31 1x48 s PHE 38 Ca 0.01 1.02 -0.01 0.00 -0.60 0.00 0.00 56.93 57.35 1x48 s PHE 38 Cb -0.12 -2.95 0.03 0.00 0.51 0.00 0.00 43.02 40.49 1x48 s PHE 38 CO 0.02 -0.33 -0.04 0.42 0.70 0.00 0.00 175.22 175.98 1x48 s ILE 39 N 2.54 0.70 0.21 0.64 1.01 -1.26 -0.21 121.20 124.83 1x48 s ILE 39 Ca 0.32 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.93 1x48 s ILE 39 Cb -0.16 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 1x48 s ILE 39 CO 0.09 0.31 0.15 0.00 0.00 0.00 0.00 174.94 175.49 1x48 s LYS 41 N -3.48 1.48 -0.49 0.00 -0.14 0.12 -0.37 119.74 116.85 1x48 s LYS 41 Ca 0.32 -0.27 -0.16 0.00 -1.36 0.00 0.00 55.97 54.50 1x48 s LYS 41 Cb -0.09 -1.45 0.09 0.00 -1.68 0.00 0.00 37.83 34.70 1x48 s LYS 41 CO 0.24 -0.18 0.44 0.00 -0.76 0.00 0.00 175.35 175.09 1x48 s LYS 43 N 1.70 3.47 -0.43 0.00 1.02 0.25 -2.13 119.74 123.62 1x48 s LYS 43 Ca 0.04 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.31 1x48 s LYS 43 Cb -0.26 -2.85 0.07 0.00 -0.52 0.00 0.00 37.83 34.28 1x48 s LYS 43 CO 0.06 0.08 0.29 0.42 -0.92 0.00 0.00 175.35 175.29 1x48 s ILE 44 N 0.74 4.59 -0.73 2.17 -1.09 0.68 -0.04 121.20 127.52 1x48 s ILE 44 Ca -0.03 -1.22 -0.00 0.00 -2.23 0.00 0.00 60.65 57.17 1x48 s ILE 44 Cb -0.15 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1x48 s ILE 44 CO 0.02 -0.49 0.61 0.61 -1.23 0.00 0.00 174.94 174.46 1x48 n GLY 45 N 5.02 -0.04 2.42 6.18 0.00 -1.04 -2.84 105.19 114.90 1x48 n GLY 45 Ca -0.11 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.91 -1.30 -4.84 1.61 1.13 -1.26 -4.98 117.38 104.81 1x48 n GLN 46 Ca -0.16 0.98 -0.26 0.00 -1.94 0.00 0.00 57.00 55.62 1x48 n GLN 46 Cb 0.60 -5.33 -0.16 0.00 0.11 0.00 0.00 30.24 25.45 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1x48 s THR 47 N -2.76 1.44 -0.32 5.09 2.01 -1.13 -5.10 115.64 114.87 1x48 s THR 47 Ca 0.00 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 1x48 s THR 47 Cb 0.00 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.28 1x48 s THR 47 CO 0.00 0.41 1.36 -0.32 -0.69 0.00 0.00 174.62 175.39 1x48 s MET 48 N -0.01 3.82 -0.08 4.92 1.75 -1.26 -0.23 119.30 128.20 1x48 s MET 48 Ca -0.03 1.22 -0.10 0.00 -1.25 0.00 0.00 55.69 55.53 1x48 s MET 48 Cb -0.11 -3.93 -0.03 0.00 2.84 0.00 0.00 34.83 33.60 1x48 s MET 48 CO 0.02 -1.25 -0.19 0.66 -0.65 0.00 0.00 175.02 173.61 1x48 n TYR 49 N 8.01 0.00 -4.20 4.11 4.02 -0.90 -4.94 117.16 123.26 1x48 n TYR 49 Ca 0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.93 1x48 n TYR 49 Cb 0.47 -0.27 -0.10 0.00 -0.02 0.00 0.00 39.34 39.42 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 -4.19 0.94 -0.07 2.72 0.00 -0.93 -4.41 107.32 101.38 1x48 s GLY 50 Ca -0.15 -1.44 0.01 0.00 0.00 0.00 0.00 44.72 43.13 1x48 s GLY 50 CO 0.23 -1.50 -0.07 -1.59 0.00 0.00 0.00 173.10 170.17 1x48 s THR 51 N -3.59 0.81 -0.09 0.90 2.01 -1.26 -0.98 115.64 113.45 1x48 s THR 51 Ca 0.16 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 1x48 s THR 51 Cb 0.05 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 1x48 s THR 51 CO -0.02 0.30 0.03 -0.83 -0.69 0.00 0.00 174.62 173.42 1x48 s GLY 52 N 1.09 1.92 -0.04 4.40 0.00 0.50 -4.43 107.32 110.76 1x48 s GLY 52 Ca -0.08 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 43.86 1x48 s GLY 52 CO -0.01 -0.52 0.05 -0.56 0.00 0.00 0.00 173.10 172.05 1x48 s SER 53 N -0.91 1.13 0.15 1.64 0.01 -1.26 -0.24 113.70 114.21 1x48 s SER 53 Ca 0.14 0.04 -0.06 0.00 1.31 0.00 0.00 55.95 57.38 1x48 s SER 53 Cb -0.11 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 65.95 1x48 s SER 53 CO 0.03 -0.23 0.30 0.61 0.41 0.00 0.00 173.24 174.36 1x48 n GLY 54 N 5.16 1.60 0.06 3.44 0.00 0.71 -4.68 105.19 111.48 1x48 n GLY 54 Ca -0.06 -1.10 0.08 0.00 0.00 0.00 0.00 46.02 44.93 1x48 n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x48 n VAL 55 N -0.20 0.49 -5.17 1.61 0.24 -1.26 -1.04 118.33 112.99 1x48 n VAL 55 Ca -0.03 -0.58 -0.32 0.00 -2.04 0.00 0.00 64.34 61.37 1x48 n VAL 55 Cb 0.23 -0.25 -0.15 0.00 -1.47 0.00 0.00 33.84 32.19 1x48 n VAL 55 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1x48 s THR 56 N -3.29 2.32 0.14 3.34 2.01 -1.26 -4.50 115.64 114.41 1x48 s THR 56 Ca -0.05 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.67 1x48 s THR 56 Cb 0.11 -1.85 -0.07 0.00 0.01 0.00 0.00 72.50 70.69 1x48 s THR 56 CO 0.85 0.57 1.51 0.11 -0.69 0.00 0.00 174.62 176.97 1x48 h LYS 57 N 5.77 -0.08 -0.19 4.92 1.57 -1.92 -0.53 116.57 126.11 1x48 h LYS 57 Ca -0.38 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.46 1x48 h LYS 57 Cb 1.16 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.41 1x48 h LYS 57 CO 0.48 -0.05 -0.38 0.37 -0.57 0.00 0.00 179.45 179.30 1x48 h GLN 58 N -0.08 -0.40 -0.24 3.15 5.75 -1.96 0.29 115.11 121.61 1x48 h GLN 58 Ca 0.13 0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.68 1x48 h GLN 58 Cb 0.42 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 1x48 h GLN 58 CO -0.81 -0.27 -0.17 1.49 -2.65 0.00 0.00 178.83 176.42 1x48 h GLU 59 N -0.42 -0.04 0.26 1.69 4.57 -1.55 0.48 114.58 119.58 1x48 h GLU 59 Ca 0.10 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1x48 h GLU 59 Cb 0.59 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1x48 h GLU 59 CO -0.42 -0.02 -0.14 0.00 -1.18 0.00 0.00 179.01 177.24 1x48 h ALA 60 N -0.67 -1.05 -1.73 2.92 0.00 -1.09 -1.13 119.26 116.51 1x48 h ALA 60 Ca 0.04 -0.08 0.50 0.00 0.00 0.00 0.00 54.91 55.37 1x48 h ALA 60 Cb 0.14 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1x48 h ALA 60 CO -0.25 -1.03 1.31 1.17 0.00 0.00 0.00 179.25 180.45 1x48 n LYS 61 N -3.06 0.00 0.00 0.00 4.81 0.99 -0.71 118.16 120.19 1x48 n LYS 61 Ca -0.04 1.01 -0.01 0.00 -0.87 0.00 0.00 58.31 58.39 1x48 n LYS 61 Cb 0.15 -2.35 -0.00 0.00 0.02 0.00 0.00 35.03 32.84 1x48 n LYS 61 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1x48 h GLN 62 N 0.00 -0.06 -0.81 1.64 4.20 0.47 -3.36 115.11 117.18 1x48 h GLN 62 Ca 0.82 0.00 0.19 0.00 0.06 0.00 0.00 58.65 59.73 1x48 h GLN 62 Cb 3.43 0.01 -0.14 0.00 0.30 0.00 0.00 27.48 31.08 1x48 h GLN 62 CO -0.01 -0.04 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.04 1x48 h LEU 63 N -0.48 -0.41 -0.75 1.46 3.38 0.35 0.12 115.31 118.97 1x48 h LEU 63 Ca -0.01 0.22 0.31 0.00 0.09 0.00 0.00 57.88 58.49 1x48 h LEU 63 Cb 0.05 0.39 -0.13 0.00 0.09 0.00 0.00 40.66 41.05 1x48 h LEU 63 CO 0.01 -0.22 0.37 0.00 0.09 0.00 0.00 178.44 178.69 1x48 n ALA 64 N -3.02 0.74 -0.05 1.53 0.00 -0.24 0.20 120.51 119.66 1x48 n ALA 64 Ca 0.15 0.77 -0.13 0.00 0.00 0.00 0.00 53.44 54.23 1x48 n ALA 64 Cb 0.53 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 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 1.49 0.20 -1.26 0.00 0.00 -0.93 -2.63 119.26 116.14 1x48 h ALA 65 Ca 0.62 -0.30 0.37 0.00 0.00 0.00 0.00 54.91 55.60 1x48 h ALA 65 Cb 1.62 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.27 1x48 h ALA 65 CO -0.59 0.04 0.84 -0.22 0.00 0.00 0.00 179.25 179.33 1x48 h LYS 66 N -0.05 0.16 0.19 0.00 3.64 0.22 0.37 116.57 121.10 1x48 h LYS 66 Ca 0.02 -0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.12 1x48 h LYS 66 Cb 0.62 -0.04 0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1x48 h LYS 66 CO 0.03 0.11 -1.25 1.49 -2.27 0.00 0.00 179.45 177.56 1x48 h GLU 67 N 0.16 0.41 -0.68 1.90 4.81 -1.39 -3.32 114.58 116.47 1x48 h GLU 67 Ca 0.70 -0.70 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1x48 h GLU 67 Cb 2.26 0.26 -0.04 0.00 0.63 0.00 0.00 28.75 31.86 1x48 h GLU 67 CO -0.26 1.33 0.45 0.00 -0.73 0.00 0.00 179.01 179.80 1x48 h ALA 68 N 0.10 0.87 -0.20 2.92 0.00 -0.04 -2.91 119.26 120.00 1x48 h ALA 68 Ca -0.23 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1x48 h ALA 68 Cb 1.92 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 1x48 h ALA 68 CO 0.20 0.28 -0.33 -0.92 0.00 0.00 0.00 179.25 178.47 1x48 h TYR 69 N 0.91 -0.92 -0.55 0.00 3.20 -0.83 -1.72 116.97 117.06 1x48 h TYR 69 Ca 0.25 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.28 1x48 h TYR 69 Cb -0.09 0.44 -0.10 0.00 1.54 0.00 0.00 36.73 38.52 1x48 h TYR 69 CO -0.03 -0.40 -0.05 1.96 -1.64 0.00 0.00 178.16 178.00 1x48 h GLN 70 N -0.37 0.07 -1.02 1.82 4.20 -1.61 0.79 115.11 119.00 1x48 h GLN 70 Ca 0.11 -0.00 0.25 0.00 0.06 0.00 0.00 58.65 59.07 1x48 h GLN 70 Cb 0.55 -0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.20 1x48 h GLN 70 CO -0.40 0.05 0.62 -0.22 -0.67 0.00 0.00 178.83 178.20 1x48 h LYS 71 N 0.07 0.52 0.18 1.46 1.63 -1.17 -1.01 116.57 118.25 1x48 h LYS 71 Ca 0.28 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.04 1x48 h LYS 71 Cb 0.44 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1x48 h LYS 71 CO -0.50 0.34 -0.09 -0.07 -3.45 0.00 0.00 179.45 175.68 1x48 h LEU 72 N 0.53 -0.20 -1.91 5.20 3.38 -0.54 -0.42 115.31 121.35 1x48 h LEU 72 Ca 0.63 -0.29 0.27 0.00 0.09 0.00 0.00 57.88 58.59 1x48 h LEU 72 Cb 1.30 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 1x48 h LEU 72 CO -0.43 0.21 0.76 -0.07 0.09 0.00 0.00 178.44 179.00 1x48 h LEU 73 N -0.66 0.00 0.00 1.67 3.38 -0.60 -1.70 115.31 117.39 1x48 h LEU 73 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1x48 h LEU 73 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1x48 h LEU 73 CO 0.04 0.00 -0.17 0.11 0.09 0.00 0.00 178.44 178.51 1x48 h LYS 74 N 0.00 0.00 -3.28 1.13 1.79 -1.21 -3.44 116.57 111.56 1x48 h LYS 74 Ca 0.45 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 58.28 1x48 h LYS 74 Cb 1.96 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 32.20 1x48 h LYS 74 CO -0.00 0.00 -0.57 -1.54 -1.08 0.00 0.00 179.45 176.25 1x48 s SER 75 N -4.73 4.62 0.94 0.86 1.04 -0.18 -5.10 113.70 111.14 1x48 s SER 75 Ca -0.05 -3.34 -0.12 0.00 0.48 0.00 0.00 55.95 52.92 1x48 s SER 75 Cb 0.01 -1.66 0.15 0.00 0.10 0.00 0.00 66.02 64.62 1x48 s SER 75 CO 0.08 -0.18 1.09 -2.16 0.98 0.00 0.00 173.24 173.04 1x48 s PRO 76 N -0.74 0.94 0.41 4.02 0.04 -0.68 -4.53 135.00 134.46 1x48 s PRO 76 Ca 0.20 0.71 0.20 0.00 0.04 0.00 0.00 61.00 62.15 1x48 s PRO 76 Cb -0.17 -1.78 0.88 0.00 0.04 0.00 0.00 34.50 33.47 1x48 s PRO 76 CO -0.07 -2.43 1.83 -1.00 0.04 0.00 0.00 177.00 175.37 1x48 h PRO 77 N -1.68 0.00 -6.40 0.56 0.13 -1.97 -3.43 132.00 119.20 1x48 h PRO 77 Ca -0.51 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.93 1x48 h PRO 77 Cb 1.30 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.20 1x48 h PRO 77 CO 0.56 0.30 -0.78 0.15 -0.23 0.00 0.00 178.00 178.00 1x48 s LYS 78 N -3.83 2.38 -0.11 0.86 1.02 -1.26 -5.01 119.74 113.78 1x48 s LYS 78 Ca -0.01 -0.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.18 1x48 s LYS 78 Cb 0.12 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 1x48 s LYS 78 CO 0.66 0.60 2.56 0.25 -0.92 0.00 0.00 175.35 178.51 1x48 n THR 79 N 2.08 2.58 -3.54 2.17 -2.24 -1.26 -4.90 114.28 109.17 1x48 n THR 79 Ca -0.17 -1.28 -0.26 0.00 -2.27 0.00 0.00 64.05 60.08 1x48 n THR 79 Cb 0.52 -1.63 -0.02 0.00 -2.10 0.00 0.00 70.33 67.10 1x48 n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x48 s ALA 80 N -0.23 3.76 -0.00 6.98 0.00 -1.26 -4.74 121.76 126.26 1x48 s ALA 80 Ca 0.32 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 1x48 s ALA 80 Cb 0.18 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1x48 s ALA 80 CO -0.03 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.36 1x48 n GLY 81 N -1.21 0.00 3.18 0.00 0.00 -1.26 -4.91 105.19 101.00 1x48 n GLY 81 Ca -0.05 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1x48 n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x48 s THR 82 N -0.92 3.75 -0.30 2.61 2.01 -1.26 -5.02 115.64 116.51 1x48 s THR 82 Ca 0.00 -1.78 -0.16 0.00 0.31 0.00 0.00 61.69 60.07 1x48 s THR 82 Cb -0.00 -3.44 0.16 0.00 0.01 0.00 0.00 72.50 69.23 1x48 s THR 82 CO 0.01 -0.63 1.03 -0.55 -0.69 0.00 0.00 174.62 173.79 1x48 s SER 83 N 2.10 -0.46 0.00 3.53 0.15 -1.26 -5.14 113.70 112.62 1x48 s SER 83 Ca 0.05 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.38 1x48 s SER 83 Cb -0.24 1.36 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 1x48 s SER 83 CO -0.02 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1x48 n GLY 84 N 4.23 1.64 3.56 9.45 0.00 -1.26 -5.07 105.19 117.73 1x48 n GLY 84 Ca -0.14 0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 2.59 -0.23 1.61 0.04 -1.26 -4.95 135.00 132.80 1x48 s PRO 85 Ca 0.00 0.16 -0.01 0.00 0.04 0.00 0.00 61.00 61.18 1x48 s PRO 85 Cb 0.00 -4.73 0.02 0.00 0.04 0.00 0.00 34.50 29.83 1x48 s PRO 85 CO 0.00 -3.07 -0.09 0.45 0.04 0.00 0.00 177.00 174.33 1x48 s SER 86 N 8.09 4.04 -1.17 6.66 0.15 -1.26 -4.64 113.70 125.57 1x48 s SER 86 Ca 0.69 -0.76 -0.07 0.00 0.70 0.00 0.00 55.95 56.50 1x48 s SER 86 Cb -0.10 -1.63 0.01 0.00 -1.71 0.00 0.00 66.02 62.59 1x48 s SER 86 CO 0.10 -0.08 1.02 -1.20 1.20 0.00 0.00 173.24 174.28 1x48 n SER 87 N 4.67 -5.64 0.00 5.45 7.64 -1.26 -5.21 113.62 119.27 1x48 n SER 87 Ca -0.18 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1x48 n SER 87 Cb 0.48 -4.42 0.00 0.00 -1.01 0.00 0.00 64.21 59.26 1x48 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64