#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h n GLY 48 N 0.00 1.19 0.06 5.14 0.00 -1.26 -4.82 105.19 105.51 1s1h n GLY 48 Ca 0.00 0.81 -0.13 0.00 0.00 0.00 0.00 46.02 46.70 1s1h n GLY 48 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1s1h h MET 49 N 13.51 0.06 0.00 1.61 2.86 -2.04 -3.48 114.93 127.46 1s1h h MET 49 Ca -0.42 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1s1h h MET 49 Cb 1.25 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1s1h h MET 49 CO 0.96 0.38 0.00 2.41 1.06 0.00 0.00 176.91 181.72 1s1h n THR 50 N -4.88 0.00 -0.08 2.22 -1.04 -1.26 -5.04 114.28 104.19 1s1h n THR 50 Ca -0.07 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.81 1s1h n THR 50 Cb 0.19 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.66 1s1h n THR 50 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1s1h h SER 51 N 0.00 0.52 -3.46 8.00 0.87 -2.04 -3.42 113.55 114.03 1s1h h SER 51 Ca 0.00 -0.40 -0.64 0.00 -1.23 0.00 0.00 61.79 59.52 1s1h h SER 51 Cb 0.00 -0.14 -0.22 0.00 -0.44 0.00 0.00 62.40 61.59 1s1h h SER 51 CO 0.00 0.81 -0.64 -0.75 -0.53 0.00 0.00 176.83 175.71 1s1h s LYS 52 N -4.62 3.66 0.11 2.24 2.47 -1.26 -5.05 119.74 117.29 1s1h s LYS 52 Ca -0.13 -0.49 -0.31 0.00 -1.56 0.00 0.00 55.97 53.47 1s1h s LYS 52 Cb 0.07 -3.14 -0.08 0.00 -1.46 0.00 0.00 37.83 33.22 1s1h s LYS 52 CO 0.77 0.01 1.51 -2.14 0.16 0.00 0.00 175.35 175.66 1s1h s PRO 53 N 1.04 4.25 0.38 4.03 0.02 -1.26 -4.96 135.00 138.50 1s1h s PRO 53 Ca 0.03 2.22 -0.22 0.00 0.02 0.00 0.00 61.00 63.05 1s1h s PRO 53 Cb -0.14 -3.32 -0.10 0.00 0.02 0.00 0.00 34.50 30.96 1s1h s PRO 53 CO 0.02 -0.57 0.91 0.00 -0.33 0.00 0.00 177.00 177.03 1s1h s ALA 54 N 1.56 3.14 -0.30 -1.55 0.00 -1.26 -4.99 121.76 118.36 1s1h s ALA 54 Ca 0.68 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.91 1s1h s ALA 54 Cb -0.39 -3.09 0.13 0.00 0.00 0.00 0.00 23.12 19.77 1s1h s ALA 54 CO 0.31 0.18 0.71 0.20 0.00 0.00 0.00 175.76 177.15 1s1h s GLY 55 N -2.01 -0.63 0.39 0.00 0.00 -1.26 -2.09 107.32 101.71 1s1h s GLY 55 Ca 0.57 2.47 -0.26 0.00 0.00 0.00 0.00 44.72 47.50 1s1h s GLY 55 CO 0.17 3.04 1.19 -1.36 0.00 0.00 0.00 173.10 176.15 1s1h s PHE 56 N 2.73 3.06 0.23 1.90 0.40 -1.26 -4.90 117.98 120.14 1s1h s PHE 56 Ca -0.06 1.53 0.32 0.00 -0.60 0.00 0.00 56.93 58.13 1s1h s PHE 56 Cb -0.11 -3.45 1.44 0.00 0.51 0.00 0.00 43.02 41.41 1s1h s PHE 56 CO -0.19 -1.42 2.02 0.52 0.70 0.00 0.00 175.22 176.85 1s1h h MET 57 N 2.78 0.00 0.22 0.44 2.86 -2.01 -3.13 114.93 116.09 1s1h h MET 57 Ca -0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 1s1h h MET 57 Cb 1.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1s1h h MET 57 CO 0.63 0.06 -0.20 1.57 1.06 0.00 0.00 176.91 180.03 1s1h h LYS 58 N 0.00 -0.42 -0.08 1.72 -0.00 -1.99 0.37 116.57 116.16 1s1h h LYS 58 Ca -0.00 0.03 -0.22 0.00 -0.00 0.00 0.00 60.65 60.46 1s1h h LYS 58 Cb 0.46 0.10 0.00 0.00 -0.00 0.00 0.00 32.23 32.79 1s1h h LYS 58 CO 0.01 -0.28 -0.82 -0.22 -0.00 0.00 0.00 179.45 178.13 1s1h h LYS 59 N -0.44 0.57 0.25 0.07 1.63 -1.97 -2.92 116.57 113.78 1s1h h LYS 59 Ca -0.00 -0.51 -0.01 0.00 -0.85 0.00 0.00 60.65 59.27 1s1h h LYS 59 Cb 0.40 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1s1h h LYS 59 CO -0.04 1.13 -0.12 -0.07 -3.45 0.00 0.00 179.45 176.91 1s1h h LEU 60 N 0.37 -0.29 -1.15 5.20 4.07 -1.45 0.90 115.31 122.97 1s1h h LEU 60 Ca -0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1s1h h LEU 60 Cb 1.44 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 43.22 1s1h h LEU 60 CO 0.15 -0.15 0.38 0.03 -1.08 0.00 0.00 178.44 177.77 1s1h h ARG 61 N -0.40 0.97 -0.39 1.13 3.08 -1.04 -1.38 114.38 116.36 1s1h h ARG 61 Ca -0.03 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.77 1s1h h ARG 61 Cb 0.30 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1s1h h ARG 61 CO 0.06 0.71 -0.32 0.00 -1.07 0.00 0.00 179.97 179.35 1s1h h ALA 62 N 1.45 0.56 -0.24 0.04 0.00 -1.23 -3.02 119.26 116.83 1s1h h ALA 62 Ca 0.25 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1s1h h ALA 62 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1s1h h ALA 62 CO -0.04 0.62 -0.12 0.00 0.00 0.00 0.00 179.25 179.70 1s1h h ALA 63 N 0.78 0.34 -0.52 0.00 0.00 0.16 -3.22 119.26 116.80 1s1h h ALA 63 Ca 0.07 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1s1h h ALA 63 Cb 0.90 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1s1h h ALA 63 CO 0.08 0.20 -0.03 1.57 0.00 0.00 0.00 179.25 181.08 1s1h h LYS 64 N 0.22 0.91 -0.71 0.00 5.09 -1.37 -2.17 116.57 118.54 1s1h h LYS 64 Ca 0.05 -0.28 0.02 0.00 0.09 0.00 0.00 60.65 60.54 1s1h h LYS 64 Cb 0.63 -0.09 -0.04 0.00 0.10 0.00 0.00 32.23 32.83 1s1h h LYS 64 CO 0.04 0.92 0.47 -0.07 -2.09 0.00 0.00 179.45 178.71 1s1h h LEU 65 N 0.83 0.77 -1.79 7.07 4.07 -1.54 0.69 115.31 125.42 1s1h h LEU 65 Ca 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1s1h h LEU 65 Cb 0.53 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.08 1s1h h LEU 65 CO 0.03 0.54 -0.10 0.00 -1.08 0.00 0.00 178.44 177.82 1s1h h ALA 66 N 1.58 1.82 -0.26 1.53 0.00 -1.42 -3.03 119.26 119.49 1s1h h ALA 66 Ca 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1s1h h ALA 66 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1s1h h ALA 66 CO -0.07 0.13 0.17 0.00 0.00 0.00 0.00 179.25 179.48 1s1h h ALA 67 N 1.89 0.33 -0.55 0.00 0.00 0.69 0.14 119.26 121.76 1s1h h ALA 67 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1s1h h ALA 67 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1s1h h ALA 67 CO 0.01 -0.19 0.10 -1.35 0.00 0.00 0.00 179.25 177.83 1s1h h PRO 68 N 0.34 0.86 -0.51 0.00 0.11 -1.51 -1.92 132.00 129.36 1s1h h PRO 68 Ca 0.09 -0.19 -0.06 0.00 0.11 0.00 0.00 66.00 65.95 1s1h h PRO 68 Cb -0.02 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 1s1h h PRO 68 CO -0.02 0.79 0.09 1.05 -0.21 0.00 0.00 178.00 179.70 1s1h h GLU 69 N 0.82 0.85 0.00 1.05 4.11 -1.59 -3.48 114.58 116.34 1s1h h GLU 69 Ca 0.17 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1s1h h GLU 69 Cb 0.34 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1s1h h GLU 69 CO 0.00 0.84 0.00 -1.71 0.07 0.00 0.00 179.01 178.21 1s1h n ASN 70 N -4.40 0.00 -3.59 3.06 2.85 0.46 -5.10 115.26 108.54 1s1h n ASN 70 Ca 0.01 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.28 1s1h n ASN 70 Cb 0.26 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.23 1s1h n ASN 70 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1s1h n GLU 71 N 0.00 0.97 -5.23 1.20 4.07 -1.19 -3.18 120.64 117.27 1s1h n GLU 71 Ca 0.00 -2.53 -0.32 0.00 -0.06 0.00 0.00 57.16 54.26 1s1h n GLU 71 Cb 0.00 0.94 -0.16 0.00 -0.06 0.00 0.00 31.44 32.15 1s1h n GLU 71 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1s1h s LYS 72 N -3.21 2.54 0.76 5.31 2.47 -1.26 -4.88 119.74 121.47 1s1h s LYS 72 Ca 0.06 -0.89 -0.11 0.00 -1.56 0.00 0.00 55.97 53.47 1s1h s LYS 72 Cb 0.00 -2.18 0.05 0.00 -1.46 0.00 0.00 37.83 34.24 1s1h s LYS 72 CO 0.04 0.41 1.10 -1.25 0.16 0.00 0.00 175.35 175.81 1s1h s PRO 73 N -0.22 2.40 0.33 4.03 0.04 -1.26 -4.74 135.00 135.58 1s1h s PRO 73 Ca -0.02 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1s1h s PRO 73 Cb -0.13 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1s1h s PRO 73 CO 0.03 -1.37 0.00 0.00 0.04 0.00 0.00 177.00 175.70 1s1h n ALA 74 N -3.25 -2.60 -1.51 8.56 0.00 -1.26 -4.93 120.51 115.52 1s1h n ALA 74 Ca 0.07 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1s1h n ALA 74 Cb 0.57 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1s1h n ALA 74 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1s1h n PRO 75 N -3.73 0.68 -4.31 0.00 -0.02 -1.26 -4.69 135.00 121.66 1s1h n PRO 75 Ca -0.03 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.29 1s1h n PRO 75 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.84 1s1h n PRO 75 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s1h s VAL 76 N -0.11 0.54 -0.17 -1.45 1.01 -1.13 -5.00 120.40 114.09 1s1h s VAL 76 Ca 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 59.91 1s1h s VAL 76 Cb 0.00 -2.63 0.07 0.00 0.00 0.00 0.00 36.38 33.82 1s1h s VAL 76 CO 0.00 0.00 0.37 0.00 0.00 0.00 0.00 175.10 175.47 1s1h s ARG 77 N -4.03 0.30 -0.01 2.72 1.70 -1.26 -1.66 118.95 116.70 1s1h s ARG 77 Ca 0.38 0.85 -0.03 0.00 -0.47 0.00 0.00 55.73 56.46 1s1h s ARG 77 Cb 0.08 0.11 0.00 0.00 -0.57 0.00 0.00 34.95 34.56 1s1h s ARG 77 CO 0.14 -0.22 0.07 -0.08 -1.08 0.00 0.00 175.30 174.13 1s1h s THR 78 N 2.07 0.04 -0.24 4.99 -1.32 -1.06 -4.99 115.64 115.14 1s1h s THR 78 Ca -0.04 -0.35 0.28 0.00 -1.21 0.00 0.00 61.69 60.37 1s1h s THR 78 Cb -0.11 -0.22 0.35 0.00 -1.51 0.00 0.00 72.50 71.01 1s1h s THR 78 CO -0.11 -0.19 1.79 0.45 -2.21 0.00 0.00 174.62 174.34 1s1h h HIS 79 N 5.34 0.00 -0.34 9.09 3.86 -1.96 -3.32 115.15 127.82 1s1h h HIS 79 Ca -0.28 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.26 1s1h h HIS 79 Cb 1.20 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.63 1s1h h HIS 79 CO 0.50 0.00 2.63 -0.12 0.86 0.00 0.00 177.93 181.81 1s1h n MET 80 N -2.96 2.81 0.26 2.45 0.00 -1.26 -4.54 117.12 113.88 1s1h n MET 80 Ca 0.03 -2.78 0.16 0.00 0.00 0.00 0.00 57.70 55.10 1s1h n MET 80 Cb 0.40 -3.36 0.60 0.00 0.00 0.00 0.00 33.22 30.86 1s1h n MET 80 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 1s1h h ARG 81 N 6.90 0.00 0.00 2.12 0.11 -1.87 -3.02 114.38 118.63 1s1h h ARG 81 Ca 0.50 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.56 1s1h h ARG 81 Cb 0.74 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.82 1s1h h ARG 81 CO 1.71 0.04 -0.08 -0.97 0.10 0.00 0.00 179.97 180.76 1s1h h ASN 82 N 0.00 0.00 -4.07 0.08 -0.73 -1.80 -3.20 115.58 105.86 1s1h h ASN 82 Ca -0.00 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.64 1s1h h ASN 82 Cb 0.60 0.00 0.11 0.00 0.27 0.00 0.00 38.32 39.30 1s1h h ASN 82 CO 0.00 0.08 0.50 -0.32 -0.37 0.00 0.00 177.43 177.32 1s1h s MET 83 N -4.84 3.13 0.28 6.67 1.75 -1.14 -4.92 119.30 120.23 1s1h s MET 83 Ca -0.04 1.88 -0.05 0.00 -1.25 0.00 0.00 55.69 56.23 1s1h s MET 83 Cb 0.16 -2.06 -0.05 0.00 2.84 0.00 0.00 34.83 35.72 1s1h s MET 83 CO 0.67 -1.09 0.54 -1.50 -0.65 0.00 0.00 175.02 172.99 1s1h s ILE 84 N -1.54 5.03 -0.11 10.11 2.07 -0.89 -4.21 121.20 131.67 1s1h s ILE 84 Ca 0.74 0.05 -0.05 0.00 -1.41 0.00 0.00 60.65 59.98 1s1h s ILE 84 Cb -0.32 -3.72 -0.04 0.00 0.13 0.00 0.00 42.46 38.51 1s1h s ILE 84 CO 0.36 -0.29 0.09 0.27 -1.91 0.00 0.00 174.94 173.46 1s1h s ILE 85 N -2.04 5.11 0.28 2.00 -0.00 -0.05 -4.75 121.20 121.75 1s1h s ILE 85 Ca 0.44 0.06 0.08 0.00 -0.00 0.00 0.00 60.65 61.22 1s1h s ILE 85 Cb -0.11 -3.21 -0.04 0.00 -0.00 0.00 0.00 42.46 39.11 1s1h s ILE 85 CO 0.29 0.61 0.17 0.68 -0.00 0.00 0.00 174.94 176.70 1s1h s VAL 86 N -0.96 3.92 0.49 8.37 -7.23 -1.26 -4.24 120.40 119.47 1s1h s VAL 86 Ca 0.14 -1.52 0.18 0.00 -1.81 0.00 0.00 61.98 58.96 1s1h s VAL 86 Cb -0.12 -3.21 0.33 0.00 0.56 0.00 0.00 36.38 33.94 1s1h s VAL 86 CO 0.03 -0.30 2.04 -0.65 -0.31 0.00 0.00 175.10 175.91 1s1h h PRO 87 N 1.52 0.17 0.00 4.82 0.11 -1.98 0.46 132.00 137.11 1s1h h PRO 87 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1s1h h PRO 87 Cb 1.25 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1s1h h PRO 87 CO 0.60 0.11 -0.01 1.05 -0.21 0.00 0.00 178.00 179.55 1s1h h GLU 88 N 0.18 0.00 -0.39 1.05 9.09 -2.01 0.17 114.58 122.67 1s1h h GLU 88 Ca 0.18 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.52 1s1h h GLU 88 Cb 0.49 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.57 1s1h h GLU 88 CO -0.03 0.01 -0.07 0.52 0.05 0.00 0.00 179.01 179.48 1s1h h MET 89 N 0.00 0.67 -6.32 1.06 2.86 -1.30 -3.45 114.93 108.44 1s1h h MET 89 Ca -0.00 -0.19 -0.62 0.00 -2.06 0.00 0.00 59.70 56.83 1s1h h MET 89 Cb 0.01 -0.07 0.13 0.00 0.06 0.00 0.00 31.60 31.73 1s1h h MET 89 CO 0.00 0.74 -0.25 -0.89 1.06 0.00 0.00 176.91 177.57 1s1h n ILE 90 N -4.20 1.89 0.00 -1.22 5.41 0.61 -1.04 119.36 120.81 1s1h n ILE 90 Ca 0.01 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1s1h n ILE 90 Cb 0.32 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 1s1h n ILE 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s1h n GLY 91 N 1.63 2.89 3.84 7.39 0.00 -0.16 -4.97 105.19 115.82 1s1h n GLY 91 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1s1h n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s1h s SER 92 N -0.29 4.24 -0.31 1.61 0.15 -0.21 -4.79 113.70 114.11 1s1h s SER 92 Ca 0.00 0.96 0.01 0.00 0.70 0.00 0.00 55.95 57.62 1s1h s SER 92 Cb 0.00 -1.54 0.09 0.00 -1.71 0.00 0.00 66.02 62.86 1s1h s SER 92 CO 0.00 -2.09 0.06 -0.69 1.20 0.00 0.00 173.24 171.72 1s1h s VAL 93 N -3.39 1.42 -0.17 4.45 1.01 -1.26 -1.96 120.40 120.50 1s1h s VAL 93 Ca 0.62 -1.67 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 1s1h s VAL 93 Cb -0.13 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1s1h s VAL 93 CO 0.52 -0.56 0.06 0.54 0.00 0.00 0.00 175.10 175.66 1s1h s VAL 94 N 1.35 4.79 -0.12 2.92 0.11 -0.92 -2.84 120.40 125.70 1s1h s VAL 94 Ca 0.08 -0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.92 1s1h s VAL 94 Cb -0.18 -3.14 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 1s1h s VAL 94 CO -0.16 0.48 0.43 -0.83 -3.33 0.00 0.00 175.10 171.69 1s1h s GLY 95 N 0.17 2.36 0.30 6.54 0.00 -0.67 -1.54 107.32 114.48 1s1h s GLY 95 Ca 0.04 -0.25 0.08 0.00 0.00 0.00 0.00 44.72 44.59 1s1h s GLY 95 CO 0.00 0.63 0.22 -1.50 0.00 0.00 0.00 173.10 172.46 1s1h s ILE 96 N 0.43 3.82 -0.31 0.90 2.07 0.94 -2.57 121.20 126.48 1s1h s ILE 96 Ca 0.23 -1.45 -0.11 0.00 -1.41 0.00 0.00 60.65 57.92 1s1h s ILE 96 Cb -0.15 -3.22 -0.02 0.00 0.13 0.00 0.00 42.46 39.20 1s1h s ILE 96 CO 0.09 -0.25 0.18 -0.47 -1.91 0.00 0.00 174.94 172.57 1s1h s TYR 97 N -2.25 3.19 0.31 3.50 5.04 -1.25 0.87 117.35 126.76 1s1h s TYR 97 Ca 0.37 -0.34 0.05 0.00 -2.44 0.00 0.00 57.07 54.71 1s1h s TYR 97 Cb -0.06 -2.39 0.51 0.00 0.35 0.00 0.00 41.96 40.37 1s1h s TYR 97 CO 0.25 -0.37 1.77 -0.91 -1.34 0.00 0.00 175.55 174.95 1s1h h ASN 98 N 8.39 0.39 0.00 4.32 4.21 -0.07 -3.46 115.58 129.35 1s1h h ASN 98 Ca -0.33 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.06 1s1h h ASN 98 Cb 1.16 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 1s1h h ASN 98 CO 0.61 0.63 0.00 0.61 -1.29 0.00 0.00 177.43 177.98 1s1h n GLY 99 N -0.49 2.03 0.08 2.83 0.00 -1.26 -4.68 105.19 103.70 1s1h n GLY 99 Ca -0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 1s1h n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s1h h LYS 100 N 0.00 0.09 -3.31 1.61 6.56 -1.95 -3.50 116.57 116.07 1s1h h LYS 100 Ca 0.00 -0.14 -0.07 0.00 -1.06 0.00 0.00 60.65 59.38 1s1h h LYS 100 Cb 0.00 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.68 1s1h h LYS 100 CO 0.00 1.03 0.13 0.00 -2.06 0.00 0.00 179.45 178.55 1s1h s ALA 101 N -2.42 -0.41 -0.19 3.86 0.00 -1.26 -5.13 121.76 116.21 1s1h s ALA 101 Ca -0.17 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 50.85 1s1h s ALA 101 Cb -0.02 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 1s1h s ALA 101 CO 0.73 -0.94 -0.01 -0.59 0.00 0.00 0.00 175.76 174.95 1s1h s PHE 102 N -2.82 3.04 -0.15 0.00 -0.71 -1.25 0.69 117.98 116.77 1s1h s PHE 102 Ca 0.19 -0.44 -0.10 0.00 -1.04 0.00 0.00 56.93 55.54 1s1h s PHE 102 Cb -0.04 -2.06 -0.05 0.00 -1.21 0.00 0.00 43.02 39.66 1s1h s PHE 102 CO 0.13 -0.21 0.18 1.21 -1.34 0.00 0.00 175.22 175.19 1s1h s ASN 103 N 0.89 6.35 -0.04 1.98 3.84 0.25 -4.76 114.94 123.45 1s1h s ASN 103 Ca 0.01 0.41 -0.30 0.00 0.21 0.00 0.00 52.86 53.19 1s1h s ASN 103 Cb -0.14 -2.11 -0.04 0.00 -0.55 0.00 0.00 41.25 38.40 1s1h s ASN 103 CO 0.02 0.25 1.36 -1.58 -2.79 0.00 0.00 177.10 174.36 1s1h s GLN 104 N -0.19 4.28 -0.18 0.43 0.74 -1.26 -0.04 119.66 123.44 1s1h s GLN 104 Ca 0.13 1.87 -0.00 0.00 0.05 0.00 0.00 55.36 57.41 1s1h s GLN 104 Cb -0.12 -3.64 0.05 0.00 1.10 0.00 0.00 33.01 30.40 1s1h s GLN 104 CO 0.02 -0.59 -0.05 0.08 -0.55 0.00 0.00 175.29 174.20 1s1h s VAL 105 N 2.69 1.18 0.05 1.34 1.01 -0.59 -4.95 120.40 121.13 1s1h s VAL 105 Ca 0.61 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 1s1h s VAL 105 Cb -0.28 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1s1h s VAL 105 CO 0.24 0.07 0.89 -1.83 0.00 0.00 0.00 175.10 174.46 1s1h s GLU 106 N 1.59 4.58 -0.15 2.72 -1.05 -1.26 -2.16 118.70 122.97 1s1h s GLU 106 Ca -0.01 1.28 -0.04 0.00 -0.15 0.00 0.00 54.97 56.06 1s1h s GLU 106 Cb -0.16 -3.40 -0.03 0.00 -0.44 0.00 0.00 34.13 30.10 1s1h s GLU 106 CO -0.08 0.15 -0.03 0.96 0.95 0.00 0.00 175.26 177.22 1s1h s ILE 107 N 0.32 4.00 0.45 1.83 -4.36 -0.83 -5.00 121.20 117.62 1s1h s ILE 107 Ca 0.45 -0.33 0.07 0.00 -0.26 0.00 0.00 60.65 60.58 1s1h s ILE 107 Cb -0.21 -2.74 -0.02 0.00 1.25 0.00 0.00 42.46 40.74 1s1h s ILE 107 CO 0.26 0.50 0.30 -0.13 0.24 0.00 0.00 174.94 176.12 1s1h s ARG 108 N 0.21 2.33 0.26 0.37 0.52 -1.26 -0.99 118.95 120.38 1s1h s ARG 108 Ca -0.01 -1.82 -0.05 0.00 -0.52 0.00 0.00 55.73 53.33 1s1h s ARG 108 Cb -0.14 -2.12 0.30 0.00 0.52 0.00 0.00 34.95 33.51 1s1h s ARG 108 CO 0.03 -0.29 1.93 -1.35 0.02 0.00 0.00 175.30 175.63 1s1h h PRO 109 N 1.11 1.26 -0.09 3.54 0.11 -1.98 -2.61 132.00 133.34 1s1h h PRO 109 Ca -0.41 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1s1h h PRO 109 Cb 1.27 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1s1h h PRO 109 CO 0.63 0.85 -0.06 1.05 -0.21 0.00 0.00 178.00 180.25 1s1h h GLU 110 N 1.29 0.13 0.00 1.05 9.09 -2.03 -2.07 114.58 122.04 1s1h h GLU 110 Ca 0.35 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.74 1s1h h GLU 110 Cb -0.12 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 26.95 1s1h h GLU 110 CO -0.07 0.21 0.00 -0.12 0.05 0.00 0.00 179.01 179.07 1s1h n MET 111 N -4.39 0.19 0.10 1.06 0.00 -0.99 -4.56 117.12 108.54 1s1h n MET 111 Ca -0.01 0.38 -0.12 0.00 0.00 0.00 0.00 57.70 57.94 1s1h n MET 111 Cb 0.19 -1.84 -0.05 0.00 0.00 0.00 0.00 33.22 31.51 1s1h n MET 111 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1s1h h LEU 112 N 0.00 -0.58 -2.07 -0.89 4.07 -1.38 -3.02 115.31 111.44 1s1h h LEU 112 Ca 0.00 0.07 0.09 0.00 0.08 0.00 0.00 57.88 58.12 1s1h h LEU 112 Cb 0.42 0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 1s1h h LEU 112 CO 0.00 -0.29 0.26 1.23 -1.08 0.00 0.00 178.44 178.57 1s1h h GLY 113 N -0.38 0.00 -1.15 0.83 0.00 -1.80 -3.18 103.07 97.38 1s1h h GLY 113 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.92 1s1h h GLY 113 CO -0.12 0.00 -0.06 1.42 0.00 0.00 0.00 176.54 177.77 1s1h n HIS 114 N -4.17 -1.27 0.33 5.60 8.25 -1.14 -4.41 115.22 118.39 1s1h n HIS 114 Ca 0.05 -0.14 0.12 0.00 -0.26 0.00 0.00 57.72 57.49 1s1h n HIS 114 Cb 0.43 -1.70 0.23 0.00 1.12 0.00 0.00 29.99 30.07 1s1h n HIS 114 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 1s1h h TYR 115 N -2.68 0.00 0.00 4.41 -1.99 -1.83 -0.10 116.97 114.78 1s1h h TYR 115 Ca -0.61 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.12 1s1h h TYR 115 Cb 1.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.06 1s1h h TYR 115 CO 0.26 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.70 1s1h n LEU 116 N -2.88 0.00 0.17 3.88 4.77 -1.26 -4.34 117.00 117.34 1s1h n LEU 116 Ca 0.04 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 1s1h n LEU 116 Cb 0.50 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 42.01 1s1h n LEU 116 CO 0.33 0.00 0.85 1.23 -1.33 0.00 0.00 177.39 178.47 1s1h h GLY 117 N 0.00 0.11 1.79 -0.72 0.00 -1.84 0.18 103.07 102.59 1s1h h GLY 117 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.28 1s1h h GLY 117 CO 0.00 0.07 0.08 0.83 0.00 0.00 0.00 176.54 177.52 1s1h h GLU 118 N 0.10 0.00 0.00 4.80 5.08 -1.88 0.10 114.58 122.78 1s1h h GLU 118 Ca 0.02 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1s1h h GLU 118 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1s1h h GLU 118 CO 0.03 0.00 -0.60 0.74 -1.00 0.00 0.00 179.01 178.18 1s1h h PHE 119 N 0.00 0.00 -3.69 4.33 -1.00 -0.99 -3.43 116.94 112.17 1s1h h PHE 119 Ca 0.04 0.00 -0.69 0.00 2.81 0.00 0.00 57.97 60.13 1s1h h PHE 119 Cb 0.21 0.00 -0.32 0.00 3.61 0.00 0.00 35.95 39.45 1s1h h PHE 119 CO 0.00 0.60 -0.64 0.45 -1.61 0.00 0.00 178.31 177.10 1s1h s SER 120 N -6.51 5.09 0.00 2.17 0.15 0.36 -5.04 113.70 109.92 1s1h s SER 120 Ca 0.03 -1.38 -0.28 0.00 0.70 0.00 0.00 55.95 55.02 1s1h s SER 120 Cb 0.08 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 1s1h s SER 120 CO 0.76 -0.34 0.91 -0.63 1.20 0.00 0.00 173.24 175.14 1s1h s ILE 121 N 1.28 4.86 0.01 6.45 1.09 -1.26 -4.86 121.20 128.76 1s1h s ILE 121 Ca -0.02 1.91 -0.21 0.00 -1.10 0.00 0.00 60.65 61.24 1s1h s ILE 121 Cb -0.20 -4.25 -0.20 0.00 -1.06 0.00 0.00 42.46 36.74 1s1h s ILE 121 CO -0.01 0.21 1.16 0.00 -0.10 0.00 0.00 174.94 176.20 1s1h h THR 122 N 4.67 1.43 -3.17 2.92 1.03 -1.91 -3.46 112.91 114.42 1s1h h THR 122 Ca -0.41 -1.82 -0.59 0.00 -0.01 0.00 0.00 66.41 63.58 1s1h h THR 122 Cb 1.21 2.39 -0.05 0.00 -1.07 0.00 0.00 68.15 70.63 1s1h h THR 122 CO 0.74 0.53 -0.12 -0.31 -0.01 0.00 0.00 175.52 176.36 1s1h s TYR 123 N -3.53 3.71 0.14 0.00 1.51 -1.26 -5.00 117.35 112.92 1s1h s TYR 123 Ca -0.14 1.09 0.10 0.00 -1.01 0.00 0.00 57.07 57.11 1s1h s TYR 123 Cb 0.04 -2.44 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 1s1h s TYR 123 CO 0.79 0.51 -0.24 0.99 -1.11 0.00 0.00 175.55 176.48 1s1h s THR 124 N -0.69 2.13 0.32 -0.71 2.01 -1.26 -5.00 115.64 112.43 1s1h s THR 124 Ca 0.27 -1.79 0.29 0.00 0.31 0.00 0.00 61.69 60.77 1s1h s THR 124 Cb -0.17 -1.92 0.30 0.00 0.01 0.00 0.00 72.50 70.72 1s1h s THR 124 CO 0.15 -0.02 2.02 -0.65 -0.69 0.00 0.00 174.62 175.43 1s1h h PRO 125 N 3.73 0.00 0.00 4.92 0.11 -2.02 -3.56 132.00 135.18 1s1h h PRO 125 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1s1h h PRO 125 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1s1h h PRO 125 CO 0.42 0.12 0.00 1.33 -0.21 0.00 0.00 178.00 179.66