#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 -0.13 -0.45 1.61 1.04 -1.26 -5.05 113.70 109.47 1x48 s SER 2 Ca 0.00 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.03 1x48 s SER 2 Cb 0.00 0.45 0.46 0.00 0.10 0.00 0.00 66.02 67.03 1x48 s SER 2 CO 0.00 -0.85 1.54 -1.20 0.98 0.00 0.00 173.24 173.70 1x48 n SER 3 N -0.62 6.07 0.00 7.02 7.64 -1.26 -5.07 113.62 127.40 1x48 n SER 3 Ca -0.06 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.06 1x48 n SER 3 Cb 0.61 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.79 1.28 3.33 0.23 0.00 -1.26 -4.76 105.19 103.22 1x48 n GLY 4 Ca 0.52 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1x48 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x48 n SER 5 N -2.51 -2.23 0.00 1.61 3.41 -1.26 -5.02 113.62 107.62 1x48 n SER 5 Ca 0.00 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1x48 n SER 5 Cb 0.00 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1x48 n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x48 n SER 6 N -2.77 0.00 -4.51 4.04 2.88 -1.26 -4.96 113.62 107.03 1x48 n SER 6 Ca 0.01 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 57.07 1x48 n SER 6 Cb 0.60 -0.23 -0.06 0.00 -0.75 0.00 0.00 64.21 63.77 1x48 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x48 n GLY 7 N 2.58 0.72 0.08 0.46 0.00 -1.26 -4.81 105.19 102.96 1x48 n GLY 7 Ca 0.00 0.89 -0.06 0.00 0.00 0.00 0.00 46.02 46.84 1x48 n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x48 n TYR 8 N 10.07 0.97 -0.22 1.61 4.02 -1.26 -4.03 117.16 128.32 1x48 n TYR 8 Ca 0.36 0.34 0.19 0.00 -0.01 0.00 0.00 57.90 58.79 1x48 n TYR 8 Cb 0.29 -1.15 0.36 0.00 -0.02 0.00 0.00 39.34 38.82 1x48 n TYR 8 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1x48 n ILE 9 N -2.99 -0.28 -0.02 -0.72 2.08 -1.26 0.23 119.36 116.40 1x48 n ILE 9 Ca -0.15 1.37 -0.03 0.00 0.56 0.00 0.00 62.75 64.50 1x48 n ILE 9 Cb 0.99 -2.19 -0.12 0.00 -0.75 0.00 0.00 39.64 37.56 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 -1.20 -1.08 0.27 7.39 0.00 -1.26 -4.33 105.19 104.97 1x48 n GLY 10 Ca 0.24 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.41 0.75 0.99 3.38 0.27 -2.01 115.31 118.27 1x48 h LEU 11 Ca -0.27 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1x48 h LEU 11 Cb 1.77 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 42.88 1x48 h LEU 11 CO 0.04 -0.18 -0.47 0.58 0.09 0.00 0.00 178.44 178.50 1x48 h VAL 12 N 0.08 0.00 -0.72 1.22 2.07 -1.68 0.31 116.25 117.53 1x48 h VAL 12 Ca 0.38 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.06 1x48 h VAL 12 Cb 0.64 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.27 1x48 h VAL 12 CO -0.66 0.00 -0.10 0.59 0.02 0.00 0.00 177.57 177.42 1x48 n ASN 13 N -5.42 -0.19 0.08 0.57 3.02 -0.78 0.14 115.26 112.67 1x48 n ASN 13 Ca -0.14 1.23 -0.22 0.00 -0.03 0.00 0.00 54.58 55.43 1x48 n ASN 13 Cb 0.48 -0.40 -0.13 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.83 -0.16 6.41 0.02 -1.24 -3.33 113.55 116.09 1x48 h SER 14 Ca 0.38 -0.83 0.03 0.00 -0.84 0.00 0.00 61.79 60.53 1x48 h SER 14 Cb 0.68 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 1x48 h SER 14 CO -0.72 1.57 -0.43 0.15 -1.14 0.00 0.00 176.83 176.27 1x48 h PHE 15 N 0.21 -1.29 -0.80 3.45 3.57 0.51 -0.96 116.94 121.63 1x48 h PHE 15 Ca -0.18 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.45 1x48 h PHE 15 Cb 1.85 0.58 -0.11 0.00 2.79 0.00 0.00 35.95 41.07 1x48 h PHE 15 CO 0.12 -0.42 -0.57 0.00 -2.23 0.00 0.00 178.31 175.21 1x48 h ALA 16 N -0.49 -0.60 -0.37 2.41 0.00 -1.28 0.40 119.26 119.33 1x48 h ALA 16 Ca 0.03 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1x48 h ALA 16 Cb 0.52 1.28 -0.09 0.00 0.00 0.00 0.00 17.79 19.50 1x48 h ALA 16 CO -0.37 -0.98 -0.35 0.37 0.00 0.00 0.00 179.25 177.92 1x48 h GLN 17 N -0.14 -0.27 -0.94 0.00 4.15 -1.55 0.26 115.11 116.63 1x48 h GLN 17 Ca 0.14 0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.76 1x48 h GLN 17 Cb 0.48 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.15 1x48 h GLN 17 CO -0.82 -0.18 0.60 0.87 -1.93 0.00 0.00 178.83 177.37 1x48 h LYS 18 N -0.29 0.55 -0.78 1.69 1.57 0.26 0.47 116.57 120.06 1x48 h LYS 18 Ca 0.16 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.76 1x48 h LYS 18 Cb 0.55 -0.13 -0.09 0.00 0.08 0.00 0.00 32.23 32.65 1x48 h LYS 18 CO -0.53 0.37 0.19 1.63 -0.57 0.00 0.00 179.45 180.54 1x48 n LYS 19 N -4.59 3.46 -3.07 3.15 5.02 0.43 -4.89 118.16 117.66 1x48 n LYS 19 Ca 0.20 -2.54 -0.12 0.00 -2.02 0.00 0.00 58.31 53.83 1x48 n LYS 19 Cb 0.62 -2.08 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 1x48 n LYS 19 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1x48 n LYS 20 N 0.04 -2.38 -2.61 1.97 2.85 0.16 -4.88 118.16 113.32 1x48 n LYS 20 Ca 0.32 0.06 -0.23 0.00 -1.05 0.00 0.00 58.31 57.41 1x48 n LYS 20 Cb 1.18 -4.58 0.08 0.00 -0.65 0.00 0.00 35.03 31.06 1x48 n LYS 20 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1x48 s LEU 21 N -5.64 3.06 -0.19 -5.58 1.43 0.64 -4.98 118.68 107.42 1x48 s LEU 21 Ca 0.23 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1x48 s LEU 21 Cb -0.14 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 43.83 1x48 s LEU 21 CO 0.29 -1.62 -0.17 -0.44 0.23 0.00 0.00 176.35 174.65 1x48 s SER 22 N -4.63 3.39 -0.13 2.29 0.01 -1.26 -4.42 113.70 108.95 1x48 s SER 22 Ca 0.63 -0.62 -0.04 0.00 1.31 0.00 0.00 55.95 57.24 1x48 s SER 22 Cb -0.07 -1.53 -0.03 0.00 0.21 0.00 0.00 66.02 64.59 1x48 s SER 22 CO 0.42 -0.01 0.00 0.54 0.41 0.00 0.00 173.24 174.61 1x48 s VAL 23 N 1.32 4.29 0.01 3.43 0.11 -1.26 -0.04 120.40 128.26 1x48 s VAL 23 Ca 0.05 -0.23 0.04 0.00 -2.93 0.00 0.00 61.98 58.91 1x48 s VAL 23 Cb -0.13 -2.86 -0.01 0.00 -1.53 0.00 0.00 36.38 31.84 1x48 s VAL 23 CO -0.11 0.53 -0.13 0.20 -3.33 0.00 0.00 175.10 172.27 1x48 s ASN 24 N -0.17 1.52 -0.35 3.54 0.01 0.55 -5.00 114.94 115.04 1x48 s ASN 24 Ca 0.05 -0.30 0.04 0.00 -0.71 0.00 0.00 52.86 51.94 1x48 s ASN 24 Cb -0.13 -0.14 0.10 0.00 0.41 0.00 0.00 41.25 41.49 1x48 s ASN 24 CO 0.02 0.11 0.07 -0.31 -1.51 0.00 0.00 177.10 175.48 1x48 s TYR 25 N -0.48 3.64 0.19 2.20 1.51 -1.26 -0.63 117.35 122.53 1x48 s TYR 25 Ca 0.04 -2.97 -0.21 0.00 -1.01 0.00 0.00 57.07 52.92 1x48 s TYR 25 Cb -0.06 -2.87 -0.08 0.00 -0.11 0.00 0.00 41.96 38.84 1x48 s TYR 25 CO 0.00 -0.93 0.71 -1.21 -1.11 0.00 0.00 175.55 173.01 1x48 s GLU 26 N 0.85 4.31 0.04 -0.62 2.02 -0.22 -4.87 118.70 120.21 1x48 s GLU 26 Ca 0.11 0.91 0.07 0.00 0.02 0.00 0.00 54.97 56.08 1x48 s GLU 26 Cb -0.19 -3.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 1x48 s GLU 26 CO -0.08 0.47 -0.21 1.14 0.02 0.00 0.00 175.26 176.59 1x48 s GLN 27 N -1.68 1.46 0.25 1.61 -2.07 -1.26 -0.85 119.66 117.12 1x48 s GLN 27 Ca 0.39 -0.93 -0.02 0.00 -1.82 0.00 0.00 55.36 52.97 1x48 s GLN 27 Cb -0.18 -1.56 -0.05 0.00 -1.09 0.00 0.00 33.01 30.13 1x48 s GLN 27 CO 0.22 0.40 0.48 0.00 -1.32 0.00 0.00 175.29 175.07 1x48 s GLU 29 N -3.50 4.13 -0.29 0.00 1.03 -1.26 -4.67 118.70 114.14 1x48 s GLU 29 Ca 0.41 0.71 -0.29 0.00 0.03 0.00 0.00 54.97 55.83 1x48 s GLU 29 Cb -0.11 -2.88 -0.02 0.00 -0.80 0.00 0.00 34.13 30.32 1x48 s GLU 29 CO 0.30 0.42 1.66 -1.25 -1.33 0.00 0.00 175.26 175.06 1x48 s PRO 30 N -2.01 3.57 0.94 -4.83 0.04 -1.26 -4.97 135.00 126.48 1x48 s PRO 30 Ca 0.41 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 1x48 s PRO 30 Cb -0.16 -4.10 0.01 0.00 0.04 0.00 0.00 34.50 30.29 1x48 s PRO 30 CO 0.20 -1.57 0.25 0.09 0.04 0.00 0.00 177.00 176.02 1x48 n ASN 31 N 9.26 -2.56 0.13 6.66 3.02 -1.26 -4.84 115.26 125.67 1x48 n ASN 31 Ca 0.20 0.33 0.12 0.00 -0.03 0.00 0.00 54.58 55.20 1x48 n ASN 31 Cb 0.46 -1.15 0.49 0.00 -0.61 0.00 0.00 39.78 38.97 1x48 n ASN 31 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1x48 n SER 32 N -0.61 0.71 -4.28 6.41 7.64 -1.26 -4.78 113.62 117.45 1x48 n SER 32 Ca 0.06 0.66 -0.15 0.00 1.01 0.00 0.00 58.87 60.45 1x48 n SER 32 Cb 0.54 -0.82 -0.10 0.00 -1.01 0.00 0.00 64.21 62.82 1x48 n SER 32 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1x48 s GLU 33 N -3.30 1.23 0.58 1.43 2.56 -1.26 -5.13 118.70 114.80 1x48 s GLU 33 Ca 0.05 -1.62 -0.18 0.00 0.00 0.00 0.00 54.97 53.22 1x48 s GLU 33 Cb 0.10 -0.36 -0.04 0.00 2.00 0.00 0.00 34.13 35.82 1x48 s GLU 33 CO 0.42 -0.15 1.13 -0.51 -0.56 0.00 0.00 175.26 175.59 1x48 s LEU 34 N -3.24 3.65 0.74 2.70 1.02 -1.26 -4.29 118.68 118.00 1x48 s LEU 34 Ca 0.28 2.15 -0.12 0.00 0.02 0.00 0.00 54.13 56.46 1x48 s LEU 34 Cb 0.06 -4.57 0.04 0.00 0.02 0.00 0.00 46.19 41.74 1x48 s LEU 34 CO 0.07 -1.35 1.10 -2.16 0.02 0.00 0.00 176.35 174.03 1x48 s PRO 35 N -3.49 2.43 -0.33 1.29 0.04 -1.26 -5.12 135.00 128.56 1x48 s PRO 35 Ca 0.72 1.24 0.09 0.00 0.04 0.00 0.00 61.00 63.09 1x48 s PRO 35 Cb -0.23 -1.91 0.46 0.00 0.04 0.00 0.00 34.50 32.85 1x48 s PRO 35 CO 0.31 -1.52 1.15 0.00 0.04 0.00 0.00 177.00 176.98 1x48 n GLN 36 N -3.16 3.18 -2.37 4.56 10.64 -1.26 -4.59 117.38 124.38 1x48 n GLN 36 Ca 0.09 -4.12 -0.25 0.00 -1.83 0.00 0.00 57.00 50.90 1x48 n GLN 36 Cb 0.53 -2.13 0.09 0.00 -0.86 0.00 0.00 30.24 27.87 1x48 n GLN 36 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1x48 s ARG 37 N -3.58 1.89 0.19 2.61 1.70 -1.26 -4.96 118.95 115.53 1x48 s ARG 37 Ca 0.46 -0.64 0.05 0.00 -0.47 0.00 0.00 55.73 55.12 1x48 s ARG 37 Cb 0.40 -2.24 -0.04 0.00 -0.57 0.00 0.00 34.95 32.51 1x48 s ARG 37 CO -0.03 -1.37 0.23 -0.06 -1.08 0.00 0.00 175.30 173.00 1x48 s PHE 38 N -3.21 3.30 -0.17 5.89 0.40 0.31 -4.79 117.98 119.71 1x48 s PHE 38 Ca 0.63 0.01 -0.04 0.00 -0.60 0.00 0.00 56.93 56.93 1x48 s PHE 38 Cb -0.08 -1.55 0.07 0.00 0.51 0.00 0.00 43.02 41.98 1x48 s PHE 38 CO 0.44 0.51 0.18 0.42 0.70 0.00 0.00 175.22 177.47 1x48 s ILE 39 N -1.86 -0.25 0.03 0.64 -1.09 -1.26 -1.18 121.20 116.23 1x48 s ILE 39 Ca 0.33 -0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.75 1x48 s ILE 39 Cb -0.10 -0.56 -0.04 0.00 -1.58 0.00 0.00 42.46 40.19 1x48 s ILE 39 CO 0.26 -0.13 0.10 0.00 -1.23 0.00 0.00 174.94 173.94 1x48 s LYS 41 N -2.08 0.76 -0.40 0.00 3.01 -0.03 0.19 119.74 121.20 1x48 s LYS 41 Ca 0.27 -0.03 -0.19 0.00 -1.01 0.00 0.00 55.97 55.01 1x48 s LYS 41 Cb -0.12 -1.25 0.01 0.00 -1.01 0.00 0.00 37.83 35.46 1x48 s LYS 41 CO 0.19 -0.35 0.52 0.00 0.51 0.00 0.00 175.35 176.22 1x48 s LYS 43 N 2.44 2.63 -0.31 0.00 3.01 0.20 -2.68 119.74 125.02 1x48 s LYS 43 Ca 0.18 -0.69 -0.05 0.00 -1.01 0.00 0.00 55.97 54.40 1x48 s LYS 43 Cb -0.16 -2.42 0.03 0.00 -1.01 0.00 0.00 37.83 34.28 1x48 s LYS 43 CO 0.15 0.57 0.06 0.42 0.51 0.00 0.00 175.35 177.05 1x48 s ILE 44 N -0.58 3.55 -1.20 2.17 -1.09 0.34 -0.33 121.20 124.07 1x48 s ILE 44 Ca 0.08 -1.08 -0.07 0.00 -2.23 0.00 0.00 60.65 57.35 1x48 s ILE 44 Cb -0.11 -2.95 0.01 0.00 -1.58 0.00 0.00 42.46 37.82 1x48 s ILE 44 CO 0.01 -0.06 0.97 0.61 -1.23 0.00 0.00 174.94 175.24 1x48 n GLY 45 N 4.77 -0.35 2.20 6.18 0.00 0.94 -2.00 105.19 116.93 1x48 n GLY 45 Ca -0.13 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1x48 n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1x48 n GLN 46 N -4.31 -0.64 -4.83 1.61 7.27 -1.26 -5.02 117.38 110.20 1x48 n GLN 46 Ca -0.00 0.59 -0.26 0.00 0.07 0.00 0.00 57.00 57.39 1x48 n GLN 46 Cb 0.56 -4.51 -0.15 0.00 2.41 0.00 0.00 30.24 28.55 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1x48 s THR 47 N -2.37 1.64 -0.13 1.69 2.01 -0.85 -5.11 115.64 112.52 1x48 s THR 47 Ca 0.00 -1.03 -0.29 0.00 0.31 0.00 0.00 61.69 60.67 1x48 s THR 47 Cb 0.00 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 1x48 s THR 47 CO 0.00 0.33 1.10 -0.32 -0.69 0.00 0.00 174.62 175.04 1x48 s MET 48 N -0.82 4.34 0.10 4.92 1.75 -1.26 -0.50 119.30 127.82 1x48 s MET 48 Ca 0.08 1.49 0.00 0.00 -1.25 0.00 0.00 55.69 56.01 1x48 s MET 48 Cb -0.08 -3.60 0.00 0.00 2.84 0.00 0.00 34.83 33.99 1x48 s MET 48 CO 0.00 -0.47 0.00 0.66 -0.65 0.00 0.00 175.02 174.56 1x48 n TYR 49 N 5.58 -0.14 -3.84 4.11 4.02 -1.20 -4.93 117.16 120.77 1x48 n TYR 49 Ca 0.11 0.03 -0.13 0.00 -0.01 0.00 0.00 57.90 57.89 1x48 n TYR 49 Cb 0.47 0.04 -0.14 0.00 -0.02 0.00 0.00 39.34 39.68 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 -4.17 0.00 -0.19 2.72 0.00 -1.09 -4.25 107.32 100.34 1x48 s GLY 50 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 44.72 44.89 1x48 s GLY 50 CO 0.00 0.26 -0.16 -1.59 0.00 0.00 0.00 173.10 171.60 1x48 s THR 51 N 0.30 2.35 0.04 0.90 2.01 -1.26 -0.53 115.64 119.45 1x48 s THR 51 Ca -0.02 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.15 1x48 s THR 51 Cb -0.03 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1x48 s THR 51 CO -0.01 0.51 0.09 -0.83 -0.69 0.00 0.00 174.62 173.69 1x48 s GLY 52 N 1.33 2.02 0.00 4.40 0.00 0.13 -4.59 107.32 110.62 1x48 s GLY 52 Ca 0.05 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.84 1x48 s GLY 52 CO -0.11 -0.88 -0.05 -0.45 0.00 0.00 0.00 173.10 171.61 1x48 s SER 53 N -2.12 0.59 -0.09 1.64 0.15 -1.26 0.03 113.70 112.64 1x48 s SER 53 Ca 0.27 -0.16 -0.32 0.00 0.70 0.00 0.00 55.95 56.44 1x48 s SER 53 Cb -0.12 -0.05 0.13 0.00 -1.71 0.00 0.00 66.02 64.27 1x48 s SER 53 CO 0.19 0.02 1.26 -0.83 1.20 0.00 0.00 173.24 175.07 1x48 s GLY 54 N -0.34 -0.36 0.39 9.45 0.00 -0.32 -4.36 107.32 111.77 1x48 s GLY 54 Ca -0.00 1.07 0.13 0.00 0.00 0.00 0.00 44.72 45.92 1x48 s GLY 54 CO -0.00 0.29 1.87 -0.39 0.00 0.00 0.00 173.10 174.87 1x48 h VAL 55 N 2.00 1.23 -4.10 1.40 -1.51 -1.93 0.89 116.25 114.24 1x48 h VAL 55 Ca -0.22 -1.10 -0.67 0.00 -1.23 0.00 0.00 66.70 63.49 1x48 h VAL 55 Cb 1.19 1.58 -0.31 0.00 -2.13 0.00 0.00 31.29 31.61 1x48 h VAL 55 CO 0.26 0.31 -0.88 -0.89 -1.23 0.00 0.00 177.57 175.15 1x48 s THR 56 N -4.33 1.96 0.23 7.19 2.01 -1.26 -3.68 115.64 117.76 1x48 s THR 56 Ca -0.03 -1.02 -0.14 0.00 0.31 0.00 0.00 61.69 60.81 1x48 s THR 56 Cb 0.15 -1.65 0.28 0.00 0.01 0.00 0.00 72.50 71.29 1x48 s THR 56 CO 0.72 0.55 1.46 1.17 -0.69 0.00 0.00 174.62 177.82 1x48 n LYS 57 N 2.89 -0.18 -0.06 4.92 4.81 -1.26 -1.22 118.16 128.06 1x48 n LYS 57 Ca -0.17 1.45 -0.04 0.00 -0.87 0.00 0.00 58.31 58.68 1x48 n LYS 57 Cb 0.52 -2.15 -0.03 0.00 0.02 0.00 0.00 35.03 33.39 1x48 n LYS 57 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1x48 h GLN 58 N 0.00 -0.09 -0.84 1.64 5.75 -1.96 0.40 115.11 120.01 1x48 h GLN 58 Ca 0.36 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.94 1x48 h GLN 58 Cb 0.59 0.02 -0.10 0.00 1.07 0.00 0.00 27.48 29.06 1x48 h GLN 58 CO -0.94 -0.06 -0.50 -1.91 -2.65 0.00 0.00 178.83 172.77 1x48 n GLU 59 N -3.52 -0.37 0.15 1.69 4.07 -0.35 -0.71 120.64 121.59 1x48 n GLU 59 Ca -0.01 1.28 -0.07 0.00 -0.06 0.00 0.00 57.16 58.31 1x48 n GLU 59 Cb 0.10 -1.89 -0.03 0.00 -0.06 0.00 0.00 31.44 29.55 1x48 n GLU 59 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x48 h ALA 60 N 0.40 -1.02 -0.71 4.31 0.00 -1.15 -2.39 119.26 118.70 1x48 h ALA 60 Ca 0.13 -0.09 0.25 0.00 0.00 0.00 0.00 54.91 55.21 1x48 h ALA 60 Cb 0.34 0.29 -0.13 0.00 0.00 0.00 0.00 17.79 18.29 1x48 h ALA 60 CO -0.79 -1.01 0.21 1.17 0.00 0.00 0.00 179.25 178.83 1x48 n LYS 61 N -3.32 -0.05 0.00 0.00 3.00 0.13 -0.41 118.16 117.52 1x48 n LYS 61 Ca -0.05 1.02 0.00 0.00 -0.00 0.00 0.00 58.31 59.28 1x48 n LYS 61 Cb 0.17 -1.74 0.00 0.00 0.00 0.00 0.00 35.03 33.47 1x48 n LYS 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1x48 n GLN 62 N -4.78 0.00 -0.24 1.64 6.02 0.11 -3.48 117.38 116.64 1x48 n GLN 62 Ca 0.22 0.44 -0.03 0.00 -0.01 0.00 0.00 57.00 57.62 1x48 n GLN 62 Cb 0.74 -1.35 0.03 0.00 1.02 0.00 0.00 30.24 30.68 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 -1.08 -0.71 1.08 3.38 -0.53 0.15 115.31 117.60 1x48 h LEU 63 Ca 0.00 0.24 0.30 0.00 0.09 0.00 0.00 57.88 58.50 1x48 h LEU 63 Cb 0.00 0.57 -0.12 0.00 0.09 0.00 0.00 40.66 41.20 1x48 h LEU 63 CO 0.00 -0.29 0.39 0.00 0.09 0.00 0.00 178.44 178.63 1x48 n ALA 64 N -3.22 0.73 0.03 1.53 0.00 0.45 0.14 120.51 120.19 1x48 n ALA 64 Ca 0.07 0.70 -0.12 0.00 0.00 0.00 0.00 53.44 54.08 1x48 n ALA 64 Cb 0.37 -0.71 -0.09 0.00 0.00 0.00 0.00 19.45 19.02 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 1.37 -0.13 -0.88 0.00 0.00 -0.72 -2.92 119.26 115.97 1x48 h ALA 65 Ca 0.59 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.39 1x48 h ALA 65 Cb 1.60 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.30 1x48 h ALA 65 CO -0.52 -0.31 -0.38 1.17 0.00 0.00 0.00 179.25 179.20 1x48 n LYS 66 N -4.92 -0.25 -0.13 0.00 4.81 0.38 0.59 118.16 118.64 1x48 n LYS 66 Ca -0.08 1.36 -0.08 0.00 -0.87 0.00 0.00 58.31 58.63 1x48 n LYS 66 Cb 0.26 -2.01 -0.00 0.00 0.02 0.00 0.00 35.03 33.30 1x48 n LYS 66 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1x48 h GLU 67 N 0.00 0.56 0.24 1.64 4.22 -1.58 -2.59 114.58 117.07 1x48 h GLU 67 Ca 0.27 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.66 1x48 h GLU 67 Cb 0.49 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1x48 h GLU 67 CO -0.87 0.43 -0.53 0.00 -2.18 0.00 0.00 179.01 175.87 1x48 h ALA 68 N 1.09 -1.05 -0.35 2.92 0.00 0.35 -1.42 119.26 120.79 1x48 h ALA 68 Ca 0.14 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1x48 h ALA 68 Cb 0.03 0.86 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 1x48 h ALA 68 CO -0.03 -1.15 -0.38 -0.92 0.00 0.00 0.00 179.25 176.78 1x48 h TYR 69 N -0.84 -1.07 -0.66 0.00 3.20 -0.84 -0.89 116.97 115.88 1x48 h TYR 69 Ca -0.02 0.06 0.14 0.00 3.14 0.00 0.00 58.73 62.04 1x48 h TYR 69 Cb 0.80 0.52 -0.12 0.00 1.54 0.00 0.00 36.73 39.47 1x48 h TYR 69 CO -0.40 -0.42 -0.10 1.96 -1.64 0.00 0.00 178.16 177.56 1x48 h GLN 70 N -0.32 0.04 -0.89 1.82 1.08 -1.18 0.32 115.11 115.97 1x48 h GLN 70 Ca 0.14 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.43 1x48 h GLN 70 Cb 0.57 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.93 1x48 h GLN 70 CO -0.52 0.02 0.57 -0.22 -0.95 0.00 0.00 178.83 177.73 1x48 h LYS 71 N 0.04 0.89 -0.26 1.46 3.64 -0.08 -1.96 116.57 120.29 1x48 h LYS 71 Ca 0.33 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1x48 h LYS 71 Cb 0.53 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1x48 h LYS 71 CO -0.64 0.59 -0.15 -0.07 -2.27 0.00 0.00 179.45 176.91 1x48 h LEU 72 N 0.92 0.59 -1.64 5.20 3.38 0.42 0.27 115.31 124.45 1x48 h LEU 72 Ca 0.40 -0.42 0.16 0.00 0.09 0.00 0.00 57.88 58.11 1x48 h LEU 72 Cb 0.35 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1x48 h LEU 72 CO -0.17 0.88 0.50 -0.07 0.09 0.00 0.00 178.44 179.68 1x48 h LEU 73 N 0.30 0.33 0.00 1.67 3.38 -0.25 -2.38 115.31 118.35 1x48 h LEU 73 Ca 0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1x48 h LEU 73 Cb 0.67 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1x48 h LEU 73 CO 0.04 0.17 -0.35 0.11 0.09 0.00 0.00 178.44 178.50 1x48 h LYS 74 N 0.35 0.00 -3.52 1.13 6.56 -1.30 -3.44 116.57 116.36 1x48 h LYS 74 Ca 0.37 0.00 -0.72 0.00 -1.06 0.00 0.00 60.65 59.24 1x48 h LYS 74 Cb 0.93 0.00 -0.33 0.00 -0.57 0.00 0.00 32.23 32.25 1x48 h LYS 74 CO -0.11 0.00 -0.15 0.45 -2.06 0.00 0.00 179.45 177.59 1x48 s SER 75 N -5.09 5.87 1.00 0.86 0.15 0.92 -5.08 113.70 112.33 1x48 s SER 75 Ca -0.10 -3.19 -0.12 0.00 0.70 0.00 0.00 55.95 53.24 1x48 s SER 75 Cb 0.01 -1.95 0.19 0.00 -1.71 0.00 0.00 66.02 62.56 1x48 s SER 75 CO 0.15 -0.33 1.09 -2.16 1.20 0.00 0.00 173.24 173.19 1x48 s PRO 76 N -0.57 0.42 1.17 5.44 0.04 -0.90 -4.34 135.00 136.26 1x48 s PRO 76 Ca 0.22 0.52 -0.18 0.00 0.04 0.00 0.00 61.00 61.59 1x48 s PRO 76 Cb -0.13 -1.74 0.27 0.00 0.04 0.00 0.00 34.50 32.94 1x48 s PRO 76 CO -0.08 -2.74 1.11 -1.25 0.04 0.00 0.00 177.00 174.08 1x48 s PRO 77 N -4.96 -1.00 -0.03 0.56 0.04 -1.26 -5.07 135.00 123.28 1x48 s PRO 77 Ca 0.65 0.02 0.07 0.00 0.04 0.00 0.00 61.00 61.78 1x48 s PRO 77 Cb -0.19 -1.61 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 1x48 s PRO 77 CO 0.58 -3.58 -0.24 0.21 0.04 0.00 0.00 177.00 174.00 1x48 s LYS 78 N -5.33 2.11 -0.83 4.56 2.20 -1.26 -5.09 119.74 116.09 1x48 s LYS 78 Ca 0.70 -0.87 -0.12 0.00 -0.36 0.00 0.00 55.97 55.32 1x48 s LYS 78 Cb -0.11 -1.96 0.22 0.00 -1.51 0.00 0.00 37.83 34.46 1x48 s LYS 78 CO 0.56 0.49 0.76 0.95 -0.36 0.00 0.00 175.35 177.75 1x48 s THR 79 N -0.46 5.42 0.04 3.43 -4.23 -1.26 -5.02 115.64 113.56 1x48 s THR 79 Ca 0.06 -2.64 -0.01 0.00 -1.18 0.00 0.00 61.69 57.92 1x48 s THR 79 Cb -0.10 -4.35 -0.03 0.00 1.34 0.00 0.00 72.50 69.36 1x48 s THR 79 CO 0.00 -1.03 -0.02 0.00 -0.54 0.00 0.00 174.62 173.04 1x48 s ALA 80 N -0.02 0.29 -1.15 3.99 0.00 -1.26 -5.07 121.76 118.53 1x48 s ALA 80 Ca 0.19 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 1x48 s ALA 80 Cb -0.11 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1x48 s ALA 80 CO -0.08 -0.28 1.87 0.20 0.00 0.00 0.00 175.76 177.47 1x48 s GLY 81 N -2.25 0.50 0.06 0.00 0.00 -1.26 -4.91 107.32 99.47 1x48 s GLY 81 Ca -0.04 -2.20 0.09 0.00 0.00 0.00 0.00 44.72 42.58 1x48 s GLY 81 CO -0.06 3.34 -0.24 -1.59 0.00 0.00 0.00 173.10 174.56 1x48 s THR 82 N 9.29 1.96 0.39 0.90 2.01 -1.26 -5.15 115.64 123.78 1x48 s THR 82 Ca 0.65 -1.40 0.08 0.00 0.31 0.00 0.00 61.69 61.32 1x48 s THR 82 Cb -0.01 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1x48 s THR 82 CO 0.09 0.22 0.32 -0.94 -0.69 0.00 0.00 174.62 173.63 1x48 s SER 83 N -1.42 5.01 0.19 3.53 1.04 -1.26 -5.15 113.70 115.64 1x48 s SER 83 Ca 0.10 -0.73 0.02 0.00 0.48 0.00 0.00 55.95 55.82 1x48 s SER 83 Cb -0.10 -0.65 -0.01 0.00 0.10 0.00 0.00 66.02 65.36 1x48 s SER 83 CO 0.03 -0.56 0.08 0.61 0.98 0.00 0.00 173.24 174.38 1x48 n GLY 84 N -1.45 3.67 2.78 7.32 0.00 -1.26 -5.16 105.19 111.08 1x48 n GLY 84 Ca 0.02 -1.99 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 1x48 n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x48 n PRO 85 N -0.43 -2.72 0.00 1.61 -0.04 -1.26 -5.04 135.00 127.12 1x48 n PRO 85 Ca -0.02 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 1x48 n PRO 85 Cb 0.29 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1x48 n PRO 85 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x48 n SER 86 N -4.49 0.49 -4.16 3.54 3.41 -1.26 -5.04 113.62 106.11 1x48 n SER 86 Ca 0.12 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.39 1x48 n SER 86 Cb 0.47 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.27 1x48 n SER 86 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x48 s SER 87 N -4.53 4.12 0.00 4.04 0.01 -1.26 -5.36 113.70 110.73 1x48 s SER 87 Ca 0.00 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.31 1x48 s SER 87 Cb 0.00 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.63 1x48 s SER 87 CO 0.00 -0.12 0.03 0.61 0.41 0.00 0.00 173.24 174.18