#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 s LYS 2 N 0.00 3.75 0.53 1.20 3.01 -1.26 -4.99 119.74 121.97 1c89 s LYS 2 Ca 0.00 1.01 -0.18 0.00 -1.01 0.00 0.00 55.97 55.79 1c89 s LYS 2 Cb 0.00 -2.10 -0.07 0.00 -1.01 0.00 0.00 37.83 34.65 1c89 s LYS 2 CO 0.00 -0.44 1.03 0.00 0.51 0.00 0.00 175.35 176.45 1c89 s ALA 3 N -2.62 2.87 0.51 5.17 0.00 -1.26 -4.79 121.76 121.64 1c89 s ALA 3 Ca 0.60 0.44 0.09 0.00 0.00 0.00 0.00 51.96 53.08 1c89 s ALA 3 Cb -0.12 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 19.84 1c89 s ALA 3 CO 0.34 -0.46 0.65 0.45 0.00 0.00 0.00 175.76 176.75 1c89 s SER 4 N -2.49 5.24 -0.89 0.00 0.15 -0.31 -4.14 113.70 111.27 1c89 s SER 4 Ca 0.64 -0.74 -0.22 0.00 0.70 0.00 0.00 55.95 56.33 1c89 s SER 4 Cb -0.15 -0.08 0.08 0.00 -1.71 0.00 0.00 66.02 64.17 1c89 s SER 4 CO 0.28 -1.07 1.23 -0.69 1.20 0.00 0.00 173.24 174.19 1c89 s VAL 5 N -2.56 4.23 -0.28 4.45 1.01 -0.84 -2.54 120.40 123.87 1c89 s VAL 5 Ca 0.56 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 1c89 s VAL 5 Cb -0.07 -4.88 0.01 0.00 0.00 0.00 0.00 36.38 31.44 1c89 s VAL 5 CO 0.35 -1.70 0.05 -0.69 0.00 0.00 0.00 175.10 173.10 1c89 s VAL 6 N 4.17 3.72 0.19 2.92 1.01 0.61 -1.46 120.40 131.57 1c89 s VAL 6 Ca 0.36 -0.74 -0.32 0.00 0.00 0.00 0.00 61.98 61.28 1c89 s VAL 6 Cb -0.06 -2.90 -0.12 0.00 0.00 0.00 0.00 36.38 33.30 1c89 s VAL 6 CO -0.03 0.12 1.74 0.00 0.00 0.00 0.00 175.10 176.94 1c89 s ALA 7 N 1.46 3.91 -0.04 5.51 0.00 -0.23 -1.73 121.76 130.65 1c89 s ALA 7 Ca 0.02 1.56 -0.16 0.00 0.00 0.00 0.00 51.96 53.39 1c89 s ALA 7 Cb -0.17 -3.71 -0.32 0.00 0.00 0.00 0.00 23.12 18.93 1c89 s ALA 7 CO 0.01 -0.97 0.79 -2.95 0.00 0.00 0.00 175.76 172.63 1c89 h ASN 8 N 7.11 0.60 -2.28 0.00 -1.07 -1.86 0.99 115.58 119.07 1c89 h ASN 8 Ca -0.44 -0.92 -0.46 0.00 0.07 0.00 0.00 56.30 54.56 1c89 h ASN 8 Cb 1.20 -0.19 0.07 0.00 -2.07 0.00 0.00 38.32 37.33 1c89 h ASN 8 CO 0.96 1.64 0.07 0.00 0.07 0.00 0.00 177.43 180.17 1c89 s GLN 9 N -2.53 1.93 -0.08 4.14 -2.07 -1.26 -2.50 119.66 117.29 1c89 s GLN 9 Ca -0.14 -1.00 -0.20 0.00 -1.82 0.00 0.00 55.36 52.20 1c89 s GLN 9 Cb 0.04 -2.37 -0.04 0.00 -1.09 0.00 0.00 33.01 29.54 1c89 s GLN 9 CO 0.85 -1.24 0.55 -1.17 -1.32 0.00 0.00 175.29 172.96 1c89 s LEU 10 N -5.04 4.32 -0.06 2.60 0.20 -1.26 -4.28 118.68 115.16 1c89 s LEU 10 Ca 0.64 0.97 0.02 0.00 0.69 0.00 0.00 54.13 56.45 1c89 s LEU 10 Cb -0.07 -2.82 -0.03 0.00 -0.43 0.00 0.00 46.19 42.84 1c89 s LEU 10 CO 0.43 0.00 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.75 1c89 s ILE 11 N 0.46 3.33 0.00 6.68 -1.09 0.12 -4.94 121.20 125.76 1c89 s ILE 11 Ca 0.30 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 1c89 s ILE 11 Cb -0.16 -2.33 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1c89 s ILE 11 CO 0.13 0.59 0.00 -0.81 -1.23 0.00 0.00 174.94 173.63 1c89 n PRO 12 N 2.26 0.70 -3.31 2.79 -0.04 -1.26 0.27 135.00 136.40 1c89 n PRO 12 Ca -0.17 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.92 1c89 n PRO 12 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 1c89 n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1c89 s ILE 13 N -0.20 4.80 -0.87 0.52 1.09 -1.26 -4.04 121.20 121.24 1c89 s ILE 13 Ca 0.00 0.97 -0.03 0.00 -1.10 0.00 0.00 60.65 60.49 1c89 s ILE 13 Cb 0.00 -3.79 -0.02 0.00 -1.06 0.00 0.00 42.46 37.59 1c89 s ILE 13 CO 0.00 0.32 0.78 0.59 -0.10 0.00 0.00 174.94 176.53 1c89 n ASN 14 N 1.04 -7.22 -3.73 3.58 3.02 -0.83 -4.92 115.26 106.20 1c89 n ASN 14 Ca -0.06 -0.36 -0.22 0.00 -0.03 0.00 0.00 54.58 53.91 1c89 n ASN 14 Cb 0.51 -5.09 -0.18 0.00 -0.61 0.00 0.00 39.78 34.42 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c89 s THR 15 N -3.15 0.21 -0.23 3.41 2.01 -1.26 -4.82 115.64 111.81 1c89 s THR 15 Ca 0.18 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 62.10 1c89 s THR 15 Cb -0.03 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 1c89 s THR 15 CO 0.76 0.22 1.62 0.00 -0.69 0.00 0.00 174.62 176.52 1c89 s ALA 16 N 2.04 3.26 0.49 7.40 0.00 -1.26 -3.85 121.76 129.84 1c89 s ALA 16 Ca 0.05 0.45 -0.21 0.00 0.00 0.00 0.00 51.96 52.25 1c89 s ALA 16 Cb -0.12 -3.86 -0.08 0.00 0.00 0.00 0.00 23.12 19.06 1c89 s ALA 16 CO -0.05 -1.97 1.09 -0.51 0.00 0.00 0.00 175.76 174.32 1c89 s LEU 17 N 5.25 3.88 0.00 0.00 1.43 -1.04 -4.61 118.68 123.59 1c89 s LEU 17 Ca 0.71 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 1c89 s LEU 17 Cb -0.25 -4.47 -0.00 0.00 0.03 0.00 0.00 46.19 41.51 1c89 s LEU 17 CO 0.29 -0.91 0.00 0.35 0.23 0.00 0.00 176.35 176.32 1c89 n THR 18 N -0.88 0.00 0.03 5.49 -2.24 -1.26 0.21 114.28 115.63 1c89 n THR 18 Ca 0.09 -0.74 0.01 0.00 -2.27 0.00 0.00 64.05 61.13 1c89 n THR 18 Cb 0.51 0.16 0.32 0.00 -2.10 0.00 0.00 70.33 69.22 1c89 n THR 18 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1c89 h LEU 19 N 0.00 0.43 -0.27 3.22 3.38 -1.97 0.61 115.31 120.70 1c89 h LEU 19 Ca -0.13 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1c89 h LEU 19 Cb 0.39 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1c89 h LEU 19 CO 0.21 0.52 -0.16 0.40 0.09 0.00 0.00 178.44 179.50 1c89 h ILE 20 N 0.44 1.30 -0.00 1.22 5.03 -2.02 -2.82 117.51 120.66 1c89 h ILE 20 Ca 0.09 -1.27 0.00 0.00 -0.12 0.00 0.00 64.86 63.56 1c89 h ILE 20 Cb 0.33 1.54 0.00 0.00 -3.03 0.00 0.00 36.82 35.66 1c89 h ILE 20 CO 0.01 0.40 -0.06 0.23 -0.68 0.00 0.00 178.15 178.06 1c89 n MET 21 N -4.41 0.55 -3.60 2.37 2.81 -1.07 -4.69 117.12 109.09 1c89 n MET 21 Ca -0.04 -0.10 -0.40 0.00 -1.81 0.00 0.00 57.70 55.35 1c89 n MET 21 Cb 0.38 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.28 1c89 n MET 21 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1c89 s MET 22 N -2.52 3.33 -0.20 0.03 0.00 0.18 -3.18 119.30 116.95 1c89 s MET 22 Ca 0.29 -0.74 -0.04 0.00 0.00 0.00 0.00 55.69 55.21 1c89 s MET 22 Cb 0.20 -3.68 -0.01 0.00 0.00 0.00 0.00 34.83 31.33 1c89 s MET 22 CO 0.47 -0.47 -0.05 0.15 0.00 0.00 0.00 175.02 175.13 1c89 s LYS 23 N 1.65 3.44 -1.29 4.11 1.02 -0.70 -4.84 119.74 123.14 1c89 s LYS 23 Ca 0.05 -0.61 -0.14 0.00 0.02 0.00 0.00 55.97 55.29 1c89 s LYS 23 Cb -0.17 -2.97 0.12 0.00 -0.52 0.00 0.00 37.83 34.29 1c89 s LYS 23 CO 0.08 -0.07 1.73 0.00 -0.92 0.00 0.00 175.35 176.16 1c89 n ALA 24 N 4.44 4.35 -2.83 5.17 0.00 -1.25 -0.28 120.51 130.10 1c89 n ALA 24 Ca -0.18 -4.10 -0.32 0.00 0.00 0.00 0.00 53.44 48.84 1c89 n ALA 24 Cb 0.51 -3.26 -0.06 0.00 0.00 0.00 0.00 19.45 16.65 1c89 n ALA 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1c89 s GLU 25 N 2.25 3.15 -1.26 0.00 2.12 -1.05 -4.62 118.70 119.29 1c89 s GLU 25 Ca 0.46 -0.52 -0.12 0.00 0.36 0.00 0.00 54.97 55.15 1c89 s GLU 25 Cb 0.04 -2.89 0.15 0.00 0.26 0.00 0.00 34.13 31.69 1c89 s GLU 25 CO 0.01 0.62 1.67 0.28 -0.54 0.00 0.00 175.26 177.29 1c89 n VAL 26 N 0.70 4.22 -4.47 3.70 0.31 -1.26 -1.17 118.33 120.36 1c89 n VAL 26 Ca -0.09 -4.46 -0.26 0.00 -0.01 0.00 0.00 64.34 59.51 1c89 n VAL 26 Cb 0.52 -2.42 -0.10 0.00 -0.91 0.00 0.00 33.84 30.93 1c89 n VAL 26 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1c89 s VAL 27 N 1.45 2.22 0.13 2.52 -7.23 -1.26 -4.99 120.40 113.25 1c89 s VAL 27 Ca 0.43 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.66 1c89 s VAL 27 Cb 0.03 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.05 1c89 s VAL 27 CO 0.01 -0.08 0.02 0.28 -0.31 0.00 0.00 175.10 175.01 1c89 s THR 28 N -2.63 3.98 0.53 5.32 -1.32 -1.26 -3.62 115.64 116.64 1c89 s THR 28 Ca 0.35 -1.16 -0.17 0.00 -1.21 0.00 0.00 61.69 59.50 1c89 s THR 28 Cb 0.05 -2.96 -0.07 0.00 -1.51 0.00 0.00 72.50 68.02 1c89 s THR 28 CO 0.19 -0.00 1.01 -2.16 -2.21 0.00 0.00 174.62 171.45 1c89 s PRO 29 N -2.67 3.74 -1.20 7.08 0.04 -1.26 -5.02 135.00 135.72 1c89 s PRO 29 Ca 0.27 1.11 -0.21 0.00 0.04 0.00 0.00 61.00 62.21 1c89 s PRO 29 Cb -0.11 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1c89 s PRO 29 CO 0.19 -0.45 1.89 -1.33 0.04 0.00 0.00 177.00 177.34 1c89 n MET 30 N -1.56 2.03 0.00 4.56 2.81 -1.24 -4.91 117.12 118.81 1c89 n MET 30 Ca 0.08 -2.64 0.00 0.00 -1.81 0.00 0.00 57.70 53.33 1c89 n MET 30 Cb 0.53 -3.61 0.00 0.00 -0.71 0.00 0.00 33.22 29.44 1c89 n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c89 n GLY 31 N 5.56 -3.26 3.76 3.03 0.00 -1.26 -4.83 105.19 108.18 1c89 n GLY 31 Ca 0.46 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1c89 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c89 s ILE 32 N 0.00 3.36 0.13 -0.61 1.01 -0.99 -4.92 121.20 119.18 1c89 s ILE 32 Ca 0.00 1.32 -0.02 0.00 0.00 0.00 0.00 60.65 61.95 1c89 s ILE 32 Cb 0.00 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.66 1c89 s ILE 32 CO 0.00 0.30 0.13 -0.81 0.00 0.00 0.00 174.94 174.56 1c89 n PRO 33 N 1.34 -0.93 -0.20 2.79 -0.04 -1.26 -1.99 135.00 134.71 1c89 n PRO 33 Ca -0.00 -0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.31 1c89 n PRO 33 Cb 0.44 -0.18 0.15 0.00 -0.04 0.00 0.00 33.50 33.88 1c89 n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c89 n ALA 34 N -3.18 2.32 -0.17 0.55 0.00 -1.26 -4.20 120.51 114.58 1c89 n ALA 34 Ca -0.02 -1.41 0.01 0.00 0.00 0.00 0.00 53.44 52.01 1c89 n ALA 34 Cb 0.07 -0.43 0.27 0.00 0.00 0.00 0.00 19.45 19.36 1c89 n ALA 34 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1c89 h GLU 35 N 1.64 0.89 -0.62 0.00 -0.00 -1.94 -1.25 114.58 113.30 1c89 h GLU 35 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 59.36 59.29 1c89 h GLU 35 Cb 0.85 -0.19 0.00 0.00 -0.00 0.00 0.00 28.75 29.41 1c89 h GLU 35 CO 0.04 0.61 0.00 0.39 -0.00 0.00 0.00 179.01 180.06 1c89 n GLU 36 N -4.41 3.11 -0.31 1.06 -0.58 -1.26 -4.55 120.64 113.69 1c89 n GLU 36 Ca 0.07 -2.18 -0.05 0.00 -0.42 0.00 0.00 57.16 54.58 1c89 n GLU 36 Cb 0.06 -1.75 -0.00 0.00 -0.57 0.00 0.00 31.44 29.17 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1c89 h ILE 37 N 3.13 0.05 0.00 -3.67 1.08 -1.52 2.07 117.51 118.65 1c89 h ILE 37 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1c89 h ILE 37 Cb 1.18 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1c89 h ILE 37 CO 0.18 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.83 1c89 n PRO 38 N -5.42 0.33 -0.08 2.37 -0.04 -1.26 -0.43 135.00 130.47 1c89 n PRO 38 Ca 0.06 0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.48 1c89 n PRO 38 Cb 0.36 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 1c89 n PRO 38 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1c89 n ASN 39 N -1.15 1.77 -0.69 3.54 5.03 0.67 -4.61 115.26 119.83 1c89 n ASN 39 Ca 0.09 0.30 0.11 0.00 0.87 0.00 0.00 54.58 55.95 1c89 n ASN 39 Cb 0.08 -0.68 0.34 0.00 -1.02 0.00 0.00 39.78 38.51 1c89 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1c89 n LEU 40 N -4.24 2.07 -4.38 3.41 -0.00 0.60 -4.96 117.00 109.51 1c89 n LEU 40 Ca -0.20 -0.84 -0.38 0.00 -0.00 0.00 0.00 56.01 54.59 1c89 n LEU 40 Cb 0.53 -0.11 0.04 0.00 -0.00 0.00 0.00 43.42 43.87 1c89 n LEU 40 CO 0.14 0.42 -0.22 0.52 -0.00 0.00 0.00 177.39 178.25 1c89 n VAL 41 N 0.60 1.36 -1.06 1.47 0.31 0.43 -1.14 118.33 120.30 1c89 n VAL 41 Ca 0.17 -0.47 -0.02 0.00 -0.01 0.00 0.00 64.34 64.01 1c89 n VAL 41 Cb 0.40 -0.46 -0.01 0.00 -0.91 0.00 0.00 33.84 32.86 1c89 n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c89 n GLY 42 N 2.06 0.51 3.71 2.92 0.00 0.58 -4.88 105.19 110.08 1c89 n GLY 42 Ca 0.09 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1c89 n GLY 42 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1c89 s MET 43 N -1.19 4.31 0.53 1.61 0.00 -0.29 -3.98 119.30 120.28 1c89 s MET 43 Ca 0.00 2.09 -0.12 0.00 0.00 0.00 0.00 55.69 57.67 1c89 s MET 43 Cb 0.00 -3.25 -0.06 0.00 0.00 0.00 0.00 34.83 31.52 1c89 s MET 43 CO 0.00 -0.46 0.93 -0.65 0.00 0.00 0.00 175.02 174.84 1c89 s GLN 44 N 1.16 3.73 0.38 3.16 -0.21 -1.25 -2.49 119.66 124.13 1c89 s GLN 44 Ca 0.65 0.67 0.07 0.00 0.02 0.00 0.00 55.36 56.77 1c89 s GLN 44 Cb -0.37 -2.20 -0.01 0.00 1.00 0.00 0.00 33.01 31.42 1c89 s GLN 44 CO 0.30 -0.32 0.41 0.14 -2.12 0.00 0.00 175.29 173.70 1c89 s VAL 45 N -2.80 3.28 -0.26 1.09 -7.23 -1.25 -4.69 120.40 108.54 1c89 s VAL 45 Ca 0.54 -1.21 0.23 0.00 -1.81 0.00 0.00 61.98 59.73 1c89 s VAL 45 Cb -0.10 -3.14 -0.07 0.00 0.56 0.00 0.00 36.38 33.63 1c89 s VAL 45 CO 0.42 -0.08 0.96 -3.20 -0.31 0.00 0.00 175.10 172.88 1c89 n ASN 46 N -1.58 0.67 -3.46 4.85 2.85 -1.19 -1.97 115.26 115.43 1c89 n ASN 46 Ca 0.02 0.20 -0.17 0.00 -0.11 0.00 0.00 54.58 54.53 1c89 n ASN 46 Cb 0.60 0.74 -0.07 0.00 1.24 0.00 0.00 39.78 42.29 1c89 n ASN 46 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1c89 s ARG 47 N -3.37 1.72 0.35 1.20 1.70 -1.26 -4.74 118.95 114.56 1c89 s ARG 47 Ca -0.01 -1.86 -0.28 0.00 -0.47 0.00 0.00 55.73 53.11 1c89 s ARG 47 Cb 0.11 0.36 -0.10 0.00 -0.57 0.00 0.00 34.95 34.75 1c89 s ARG 47 CO 0.81 -0.66 1.34 0.00 -1.08 0.00 0.00 175.30 175.71 1c89 s ALA 48 N -3.44 3.46 -0.17 7.88 0.00 -1.26 -4.27 121.76 123.97 1c89 s ALA 48 Ca 0.37 1.31 -0.03 0.00 0.00 0.00 0.00 51.96 53.60 1c89 s ALA 48 Cb 0.02 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 1c89 s ALA 48 CO 0.23 -0.75 -0.04 0.08 0.00 0.00 0.00 175.76 175.27 1c89 s VAL 49 N -1.16 3.71 0.25 0.00 1.01 0.75 -4.96 120.40 119.99 1c89 s VAL 49 Ca 0.51 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 1c89 s VAL 49 Cb -0.41 -2.63 0.06 0.00 0.00 0.00 0.00 36.38 33.40 1c89 s VAL 49 CO 0.54 0.48 0.24 -0.81 0.00 0.00 0.00 175.10 175.55 1c89 n PRO 50 N 3.83 -1.15 -2.97 2.72 -0.04 -1.26 0.15 135.00 136.28 1c89 n PRO 50 Ca -0.18 -0.39 -0.39 0.00 -0.04 0.00 0.00 63.50 62.51 1c89 n PRO 50 Cb 0.52 -0.33 -0.06 0.00 -0.04 0.00 0.00 33.50 33.59 1c89 n PRO 50 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1c89 s LEU 51 N 0.00 4.56 -1.38 1.53 1.43 -1.26 -3.73 118.68 119.82 1c89 s LEU 51 Ca 0.15 1.65 -0.04 0.00 -1.03 0.00 0.00 54.13 54.87 1c89 s LEU 51 Cb -0.01 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.84 1c89 s LEU 51 CO 0.11 0.18 0.51 0.61 0.23 0.00 0.00 176.35 177.99 1c89 n GLY 52 N 1.45 -0.37 3.64 -3.19 0.00 0.33 -4.94 105.19 102.11 1c89 n GLY 52 Ca -0.05 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1c89 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c89 s THR 53 N -3.09 4.87 0.70 2.61 2.01 -0.67 -4.73 115.64 117.33 1c89 s THR 53 Ca 0.25 1.42 -0.13 0.00 0.31 0.00 0.00 61.69 63.54 1c89 s THR 53 Cb -0.11 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.35 1c89 s THR 53 CO 0.31 -0.06 1.10 0.28 -0.69 0.00 0.00 174.62 175.56 1c89 s THR 54 N 2.76 3.30 -0.35 -0.82 -1.32 -1.26 -1.06 115.64 116.88 1c89 s THR 54 Ca 0.32 0.53 -0.29 0.00 -1.21 0.00 0.00 61.69 61.05 1c89 s THR 54 Cb -0.15 -3.04 -0.01 0.00 -1.51 0.00 0.00 72.50 67.79 1c89 s THR 54 CO 0.08 -0.44 1.58 -0.22 -2.21 0.00 0.00 174.62 173.40 1c89 s LEU 55 N -5.26 3.60 0.06 9.08 0.20 -0.53 -4.87 118.68 120.95 1c89 s LEU 55 Ca 0.65 1.12 0.01 0.00 0.69 0.00 0.00 54.13 56.59 1c89 s LEU 55 Cb -0.19 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.00 1c89 s LEU 55 CO 0.47 -1.50 0.15 -0.04 -0.29 0.00 0.00 176.35 175.13 1c89 s MET 56 N 5.15 3.20 0.15 1.98 -1.94 -1.26 -2.33 119.30 124.23 1c89 s MET 56 Ca 0.69 -0.53 -0.05 0.00 -1.71 0.00 0.00 55.69 54.09 1c89 s MET 56 Cb -0.18 -2.91 -0.03 0.00 2.01 0.00 0.00 34.83 33.72 1c89 s MET 56 CO 0.32 0.60 1.38 -1.00 -0.01 0.00 0.00 175.02 176.31 1c89 h PRO 57 N 3.31 0.52 0.00 2.03 0.13 -1.94 -1.99 132.00 134.06 1c89 h PRO 57 Ca -0.46 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.22 1c89 h PRO 57 Cb 1.17 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1c89 h PRO 57 CO 0.70 1.07 0.00 0.38 -0.23 0.00 0.00 178.00 179.93 1c89 h ASP 58 N 0.34 0.00 0.30 1.44 2.03 -1.95 -3.17 116.42 115.42 1c89 h ASP 58 Ca -0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 1c89 h ASP 58 Cb 1.38 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.88 1c89 h ASP 58 CO 0.14 0.00 -1.15 0.23 -1.03 0.00 0.00 179.24 177.44 1c89 n MET 59 N -2.76 0.29 -5.20 4.15 2.81 -1.18 -4.87 117.12 110.36 1c89 n MET 59 Ca 0.04 -0.03 -0.32 0.00 -1.81 0.00 0.00 57.70 55.59 1c89 n MET 59 Cb 0.47 -1.57 -0.17 0.00 -0.71 0.00 0.00 33.22 31.24 1c89 n MET 59 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1c89 s VAL 60 N -3.20 2.05 0.00 2.03 1.01 -0.76 -3.19 120.40 118.34 1c89 s VAL 60 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1c89 s VAL 60 Cb 0.15 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1c89 s VAL 60 CO 0.83 0.56 0.00 0.29 0.00 0.00 0.00 175.10 176.77 1c89 n LYS 61 N 3.54 0.00 -2.72 2.72 5.02 -1.26 -4.38 118.16 121.08 1c89 n LYS 61 Ca -0.19 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.67 1c89 n LYS 61 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 1c89 n LYS 61 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1c89 n ASN 62 N 0.00 5.27 -0.10 4.39 4.05 -1.26 -4.41 115.26 123.19 1c89 n ASN 62 Ca 0.00 -3.07 0.22 0.00 0.45 0.00 0.00 54.58 52.18 1c89 n ASN 62 Cb 0.00 -1.50 0.66 0.00 1.23 0.00 0.00 39.78 40.17 1c89 n ASN 62 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 177.26 174.31 1c89 h TYR 63 N 6.40 0.11 0.00 1.20 -0.00 -1.94 -3.46 116.97 119.29 1c89 h TYR 63 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.07 1c89 h TYR 63 Cb 0.75 -0.03 0.00 0.00 0.00 0.00 0.00 36.73 37.45 1c89 h TYR 63 CO 1.14 0.04 0.00 -0.85 -0.00 0.00 0.00 178.16 178.48 1c89 n GLU 64 N -4.37 0.00 -1.39 0.10 0.28 -1.26 -4.68 120.64 109.33 1c89 n GLU 64 Ca 0.14 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.88 1c89 n GLU 64 Cb 0.72 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.50 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1c89 n ASP 65 N 0.00 6.57 -0.17 -1.84 5.75 -1.26 -4.47 116.55 121.13 1c89 n ASP 65 Ca 0.00 -2.89 0.12 0.00 -0.01 0.00 0.00 54.79 52.00 1c89 n ASP 65 Cb 0.00 -1.35 0.60 0.00 -1.03 0.00 0.00 41.12 39.34 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c89 n GLY 66 N 1.83 -0.62 3.86 6.12 0.00 -1.26 -4.85 105.19 110.28 1c89 n GLY 66 Ca 0.52 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 1c89 n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c89 s THR 67 N -1.96 4.72 0.00 2.61 -4.23 -1.26 -5.04 115.64 110.49 1c89 s THR 67 Ca 0.34 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 1c89 s THR 67 Cb 0.17 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1c89 s THR 67 CO 0.27 -0.51 0.00 0.41 -0.54 0.00 0.00 174.62 174.26 1c89 n THR 68 N -1.22 0.00 -2.36 3.99 -1.04 -1.26 -4.94 114.28 107.45 1c89 n THR 68 Ca 0.03 0.23 -0.43 0.00 -2.04 0.00 0.00 64.05 61.84 1c89 n THR 68 Cb 0.54 -1.17 -0.02 0.00 -1.82 0.00 0.00 70.33 67.85 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1c89 s SER 69 N -2.97 6.79 0.00 8.00 0.01 -1.26 -4.96 113.70 119.30 1c89 s SER 69 Ca 0.00 1.57 0.00 0.00 1.31 0.00 0.00 55.95 58.83 1c89 s SER 69 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1c89 s SER 69 CO 0.00 -0.92 0.00 -0.81 0.41 0.00 0.00 173.24 171.92 1c89 n PRO 70 N 6.97 0.00 0.00 12.44 -0.04 -1.26 -4.75 135.00 148.35 1c89 n PRO 70 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1c89 n PRO 70 Cb 0.45 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 1c89 n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c89 n GLY 71 N 1.88 0.39 2.37 0.55 0.00 -1.26 -4.18 105.19 104.94 1c89 n GLY 71 Ca 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1c89 n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c89 n LEU 72 N 0.00 6.43 -4.64 0.99 4.77 -1.26 -4.94 117.00 118.35 1c89 n LEU 72 Ca 0.00 -3.96 -0.43 0.00 -0.03 0.00 0.00 56.01 51.60 1c89 n LEU 72 Cb 0.00 -1.30 -0.03 0.00 -2.33 0.00 0.00 43.42 39.76 1c89 n LEU 72 CO 0.00 1.77 1.36 -0.54 -1.33 0.00 0.00 177.39 178.65 1c89 s LYS 73 N -0.90 3.93 0.16 3.23 1.02 -1.26 -4.18 119.74 121.74 1c89 s LYS 73 Ca 0.61 1.84 0.02 0.00 0.02 0.00 0.00 55.97 58.46 1c89 s LYS 73 Cb 0.34 -4.01 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 1c89 s LYS 73 CO -0.15 -1.13 0.31 -1.54 -0.92 0.00 0.00 175.35 171.91 1c89 s SER 74 N 3.90 6.35 -0.09 2.83 1.04 0.68 -3.16 113.70 125.25 1c89 s SER 74 Ca 0.72 0.21 -0.30 0.00 0.48 0.00 0.00 55.95 57.06 1c89 s SER 74 Cb -0.28 -1.93 -0.01 0.00 0.10 0.00 0.00 66.02 63.90 1c89 s SER 74 CO 0.28 0.03 1.01 -0.69 0.98 0.00 0.00 173.24 174.85 1c89 s VAL 75 N -1.78 4.79 -0.07 5.02 1.01 -0.60 0.20 120.40 128.97 1c89 s VAL 75 Ca 0.35 2.04 0.02 0.00 0.00 0.00 0.00 61.98 64.39 1c89 s VAL 75 Cb -0.11 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 31.97 1c89 s VAL 75 CO 0.29 0.02 -0.11 -0.69 0.00 0.00 0.00 175.10 174.60 1c89 s VAL 76 N 1.91 1.08 -1.16 2.92 1.01 -0.94 -0.80 120.40 124.43 1c89 s VAL 76 Ca 0.49 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 1c89 s VAL 76 Cb -0.19 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.23 1c89 s VAL 76 CO 0.19 0.35 1.68 0.00 0.00 0.00 0.00 175.10 177.31 1c89 s ALA 77 N 0.80 2.81 0.64 5.51 0.00 0.15 -1.73 121.76 129.94 1c89 s ALA 77 Ca -0.12 -2.49 0.36 0.00 0.00 0.00 0.00 51.96 49.70 1c89 s ALA 77 Cb -0.15 -4.60 1.98 0.00 0.00 0.00 0.00 23.12 20.35 1c89 s ALA 77 CO 0.02 -3.75 2.17 -0.91 0.00 0.00 0.00 175.76 173.30 1c89 h ASN 78 N 8.88 0.00 -4.13 0.00 4.21 -1.78 0.14 115.58 122.91 1c89 h ASN 78 Ca 0.31 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.66 1c89 h ASN 78 Cb 0.94 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.12 1c89 h ASN 78 CO 1.40 0.00 -0.08 0.00 -1.29 0.00 0.00 177.43 177.46 1c89 n GLN 79 N -3.26 1.29 -4.00 0.81 1.13 -1.26 -2.49 117.38 109.59 1c89 n GLN 79 Ca -0.02 -0.97 -0.35 0.00 -1.94 0.00 0.00 57.00 53.73 1c89 n GLN 79 Cb 0.22 0.11 -0.11 0.00 0.11 0.00 0.00 30.24 30.57 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1c89 s LEU 80 N 0.00 3.56 -0.11 1.08 0.20 -1.25 -3.49 118.68 118.67 1c89 s LEU 80 Ca 0.08 -0.07 0.03 0.00 0.69 0.00 0.00 54.13 54.87 1c89 s LEU 80 Cb -0.01 -1.91 0.00 0.00 -0.43 0.00 0.00 46.19 43.85 1c89 s LEU 80 CO 0.05 0.10 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.36 1c89 s ILE 81 N 0.82 1.99 0.53 6.68 -1.09 -0.74 -4.97 121.20 124.43 1c89 s ILE 81 Ca 0.03 -0.96 -0.19 0.00 -2.23 0.00 0.00 60.65 57.30 1c89 s ILE 81 Cb -0.14 -1.73 -0.06 0.00 -1.58 0.00 0.00 42.46 38.95 1c89 s ILE 81 CO 0.02 0.54 1.07 -2.16 -1.23 0.00 0.00 174.94 173.18 1c89 s PRO 82 N 0.52 3.53 0.92 2.79 0.04 -1.26 -0.58 135.00 140.96 1c89 s PRO 82 Ca -0.15 1.37 -0.17 0.00 0.04 0.00 0.00 61.00 62.10 1c89 s PRO 82 Cb -0.17 -2.05 -0.12 0.00 0.04 0.00 0.00 34.50 32.19 1c89 s PRO 82 CO 0.05 -0.66 -0.52 -0.89 0.04 0.00 0.00 177.00 175.02 1c89 n ILE 83 N -1.38 0.07 -3.58 0.56 5.41 -1.26 -3.39 119.36 115.80 1c89 n ILE 83 Ca 0.10 -0.46 -0.31 0.00 1.00 0.00 0.00 62.75 63.08 1c89 n ILE 83 Cb 0.52 -0.11 0.02 0.00 -0.71 0.00 0.00 39.64 39.37 1c89 n ILE 83 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1c89 n ASN 84 N 2.62 -5.43 -3.53 4.38 2.85 0.79 -4.92 115.26 112.01 1c89 n ASN 84 Ca 0.01 -0.44 -0.22 0.00 -0.11 0.00 0.00 54.58 53.81 1c89 n ASN 84 Cb 0.54 -1.95 -0.14 0.00 1.24 0.00 0.00 39.78 39.47 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1c89 s THR 85 N -2.17 -0.22 -0.83 -0.44 2.01 -1.22 -4.80 115.64 107.98 1c89 s THR 85 Ca 0.22 -0.25 -0.21 0.00 0.31 0.00 0.00 61.69 61.76 1c89 s THR 85 Cb -0.02 -0.71 -0.19 0.00 0.01 0.00 0.00 72.50 71.59 1c89 s THR 85 CO 0.88 -0.32 2.13 0.00 -0.69 0.00 0.00 174.62 176.62 1c89 n ALA 86 N 5.30 0.43 -2.07 7.40 0.00 -1.25 -3.96 120.51 126.36 1c89 n ALA 86 Ca -0.06 -1.51 -0.38 0.00 0.00 0.00 0.00 53.44 51.49 1c89 n ALA 86 Cb 0.48 -2.86 -0.06 0.00 0.00 0.00 0.00 19.45 17.01 1c89 n ALA 86 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1c89 s LEU 87 N 11.68 4.48 0.00 0.00 2.34 -1.04 -4.65 118.68 131.48 1c89 s LEU 87 Ca 0.86 1.50 0.00 0.00 0.06 0.00 0.00 54.13 56.54 1c89 s LEU 87 Cb -0.21 -3.35 -0.00 0.00 -0.56 0.00 0.00 46.19 42.07 1c89 s LEU 87 CO 0.18 0.15 0.00 0.35 -1.06 0.00 0.00 176.35 175.97 1c89 n THR 88 N 1.26 0.00 0.09 5.48 -2.24 -1.26 0.22 114.28 117.83 1c89 n THR 88 Ca -0.05 -0.17 0.17 0.00 -2.27 0.00 0.00 64.05 61.72 1c89 n THR 88 Cb 0.50 0.04 0.69 0.00 -2.10 0.00 0.00 70.33 69.46 1c89 n THR 88 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1c89 h LEU 89 N 0.00 0.00 -0.35 3.22 -0.00 -1.94 -0.21 115.31 116.02 1c89 h LEU 89 Ca -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1c89 h LEU 89 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.73 1c89 h LEU 89 CO 0.05 0.00 0.22 -0.37 -0.00 0.00 0.00 178.44 178.34 1c89 h VAL 90 N 0.00 1.06 0.00 0.15 -1.51 -2.01 -2.61 116.25 111.32 1c89 h VAL 90 Ca 0.17 -0.15 -0.00 0.00 -1.23 0.00 0.00 66.70 65.48 1c89 h VAL 90 Cb 0.69 0.58 -0.00 0.00 -2.13 0.00 0.00 31.29 30.43 1c89 h VAL 90 CO -0.00 0.08 -0.53 0.24 -1.23 0.00 0.00 177.57 176.13 1c89 h MET 91 N 0.44 0.00 -5.37 5.19 2.86 -1.74 -3.45 114.93 112.87 1c89 h MET 91 Ca 0.14 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.16 1c89 h MET 91 Cb -0.02 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.51 1c89 h MET 91 CO -0.05 0.01 -0.53 -1.64 1.06 0.00 0.00 176.91 175.76 1c89 s MET 92 N -3.28 3.92 -0.39 1.72 1.00 -0.17 -3.85 119.30 118.25 1c89 s MET 92 Ca 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 55.69 55.45 1c89 s MET 92 Cb 0.07 -3.25 0.11 0.00 0.00 0.00 0.00 34.83 31.76 1c89 s MET 92 CO 0.73 0.37 0.14 0.15 0.00 0.00 0.00 175.02 176.42 1c89 s LYS 93 N 0.11 1.76 -0.82 2.03 -0.14 -0.70 -4.61 119.74 117.37 1c89 s LYS 93 Ca 0.07 -1.96 -0.25 0.00 -1.36 0.00 0.00 55.97 52.47 1c89 s LYS 93 Cb -0.12 -3.38 -0.03 0.00 -1.68 0.00 0.00 37.83 32.63 1c89 s LYS 93 CO 0.00 -1.01 1.87 0.00 -0.76 0.00 0.00 175.35 175.44 1c89 s ALA 94 N 0.83 1.92 0.27 5.17 0.00 -1.26 -2.20 121.76 126.49 1c89 s ALA 94 Ca 0.11 -1.29 0.09 0.00 0.00 0.00 0.00 51.96 50.87 1c89 s ALA 94 Cb -0.21 -4.47 -0.05 0.00 0.00 0.00 0.00 23.12 18.39 1c89 s ALA 94 CO -0.06 -4.41 -0.12 -1.83 0.00 0.00 0.00 175.76 169.34 1c89 s GLU 95 N 6.85 1.56 -0.70 0.00 -1.05 0.13 -4.62 118.70 120.86 1c89 s GLU 95 Ca 0.66 -1.75 -0.26 0.00 -0.15 0.00 0.00 54.97 53.48 1c89 s GLU 95 Cb -0.08 -1.38 -0.01 0.00 -0.44 0.00 0.00 34.13 32.22 1c89 s GLU 95 CO 0.06 0.17 1.69 -2.00 0.95 0.00 0.00 175.26 176.13 1c89 s GLU 96 N -3.63 2.82 0.08 -4.83 -6.30 -1.26 0.25 118.70 105.83 1c89 s GLU 96 Ca 0.28 0.18 0.03 0.00 -2.50 0.00 0.00 54.97 52.96 1c89 s GLU 96 Cb 0.00 -4.46 -0.04 0.00 0.00 0.00 0.00 34.13 29.63 1c89 s GLU 96 CO 0.12 -2.62 -0.08 0.08 0.02 0.00 0.00 175.26 172.77 1c89 s VAL 97 N 8.08 0.74 0.12 3.70 1.01 -1.26 -4.88 120.40 127.92 1c89 s VAL 97 Ca 0.58 -1.63 0.06 0.00 0.00 0.00 0.00 61.98 60.98 1c89 s VAL 97 Cb -0.10 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1c89 s VAL 97 CO 0.15 -0.65 -0.00 -0.44 0.00 0.00 0.00 175.10 174.16 1c89 s SER 98 N -2.49 4.93 1.06 3.32 0.01 -1.26 -4.05 113.70 115.22 1c89 s SER 98 Ca 0.04 -0.25 -0.17 0.00 1.31 0.00 0.00 55.95 56.88 1c89 s SER 98 Cb -0.01 -1.13 0.24 0.00 0.21 0.00 0.00 66.02 65.32 1c89 s SER 98 CO -0.02 0.15 1.25 -2.16 0.41 0.00 0.00 173.24 172.87 1c89 s PRO 99 N -2.49 -0.14 -1.12 12.44 0.04 -1.26 -4.55 135.00 137.92 1c89 s PRO 99 Ca 0.26 -0.31 -0.21 0.00 0.04 0.00 0.00 61.00 60.78 1c89 s PRO 99 Cb -0.11 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 32.73 1c89 s PRO 99 CO 0.18 -2.95 1.62 -1.59 0.04 0.00 0.00 177.00 174.31 1c89 s LYS 100 N -5.73 3.59 0.00 4.56 0.00 -1.26 -4.90 119.74 116.01 1c89 s LYS 100 Ca 0.73 -1.38 0.00 0.00 0.00 0.00 0.00 55.97 55.33 1c89 s LYS 100 Cb -0.06 -5.39 0.00 0.00 0.00 0.00 0.00 37.83 32.38 1c89 s LYS 100 CO 0.54 -2.43 0.00 0.41 0.00 0.00 0.00 175.35 173.87 1c89 n GLY 101 N 6.28 -0.30 3.35 0.59 0.00 -1.26 -4.86 105.19 109.00 1c89 n GLY 101 Ca 0.40 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 1c89 n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c89 s ILE 102 N 0.00 3.74 0.53 -0.61 1.01 0.28 -4.75 121.20 121.40 1c89 s ILE 102 Ca 0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 60.65 59.99 1c89 s ILE 102 Cb 0.00 -2.77 -0.06 0.00 0.01 0.00 0.00 42.46 39.63 1c89 s ILE 102 CO 0.00 0.32 1.10 -2.16 0.00 0.00 0.00 174.94 174.20 1c89 s PRO 103 N 1.52 3.48 -0.53 2.79 0.04 -1.26 -1.56 135.00 139.48 1c89 s PRO 103 Ca 0.05 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 1c89 s PRO 103 Cb -0.15 -2.03 -0.19 0.00 0.04 0.00 0.00 34.50 32.17 1c89 s PRO 103 CO -0.00 -0.73 3.15 0.45 0.04 0.00 0.00 177.00 179.91 1c89 n SER 104 N -1.24 5.93 0.06 6.66 2.88 -1.19 -4.59 113.62 122.13 1c89 n SER 104 Ca 0.11 -2.44 -0.02 0.00 -1.33 0.00 0.00 58.87 55.19 1c89 n SER 104 Cb 0.51 -1.35 -0.01 0.00 -0.75 0.00 0.00 64.21 62.61 1c89 n SER 104 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1c89 h GLU 105 N 3.99 -0.15 -0.37 -1.46 5.08 -1.91 -3.37 114.58 116.39 1c89 h GLU 105 Ca 0.40 0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.55 1c89 h GLU 105 Cb 0.98 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.13 1c89 h GLU 105 CO 0.78 -0.10 -0.17 -0.85 -1.00 0.00 0.00 179.01 177.67 1c89 n GLU 106 N -2.60 2.00 -0.33 2.33 0.28 -1.26 -4.74 120.64 116.32 1c89 n GLU 106 Ca -0.02 -3.31 0.14 0.00 -0.16 0.00 0.00 57.16 53.81 1c89 n GLU 106 Cb 0.06 -1.86 0.35 0.00 1.43 0.00 0.00 31.44 31.43 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 1c89 h ILE 107 N 1.11 0.73 -0.33 3.84 6.09 -1.86 0.33 117.51 127.42 1c89 h ILE 107 Ca 0.23 -0.24 0.10 0.00 -1.37 0.00 0.00 64.86 63.57 1c89 h ILE 107 Cb 1.54 -0.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.76 1c89 h ILE 107 CO 0.43 0.13 0.42 0.28 -3.07 0.00 0.00 178.15 176.34 1c89 h SER 108 N 0.71 0.00 0.23 2.19 0.02 -1.89 1.37 113.55 116.19 1c89 h SER 108 Ca 0.55 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 61.15 1c89 h SER 108 Cb 0.91 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 1c89 h SER 108 CO -0.32 0.00 -1.98 1.17 -1.14 0.00 0.00 176.83 174.55 1c89 n LYS 109 N -3.57 0.70 0.00 3.45 4.81 0.11 -4.13 118.16 119.53 1c89 n LYS 109 Ca 0.06 0.24 0.13 0.00 -0.87 0.00 0.00 58.31 57.86 1c89 n LYS 109 Cb 0.57 -1.70 0.33 0.00 0.02 0.00 0.00 35.03 34.25 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1c89 n LEU 110 N -3.23 1.42 -4.74 3.14 4.77 -0.22 -4.93 117.00 113.20 1c89 n LEU 110 Ca -0.28 -0.44 -0.39 0.00 -0.03 0.00 0.00 56.01 54.86 1c89 n LEU 110 Cb 1.05 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 42.10 1c89 n LEU 110 CO 0.42 0.25 0.99 0.52 -1.33 0.00 0.00 177.39 178.25 1c89 n VAL 111 N -0.24 3.21 -0.98 4.08 0.31 0.45 -1.76 118.33 123.39 1c89 n VAL 111 Ca 0.13 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1c89 n VAL 111 Cb 0.39 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1c89 n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c89 n GLY 112 N 0.71 0.63 3.79 2.92 0.00 0.60 -4.90 105.19 108.94 1c89 n GLY 112 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1c89 n GLY 112 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1c89 s MET 113 N -0.14 3.74 -0.00 1.61 0.00 -0.73 -4.22 119.30 119.57 1c89 s MET 113 Ca 0.00 1.42 -0.25 0.00 0.00 0.00 0.00 55.69 56.87 1c89 s MET 113 Cb 0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 34.83 32.67 1c89 s MET 113 CO 0.00 -0.49 0.76 -0.65 0.00 0.00 0.00 175.02 174.64 1c89 s GLN 114 N -3.19 4.48 0.37 3.16 -0.21 -1.26 -2.50 119.66 120.51 1c89 s GLN 114 Ca 0.68 1.03 -0.10 0.00 0.02 0.00 0.00 55.36 56.99 1c89 s GLN 114 Cb -0.18 -3.40 -0.06 0.00 1.00 0.00 0.00 33.01 30.36 1c89 s GLN 114 CO 0.22 0.17 0.72 0.54 -2.12 0.00 0.00 175.29 174.82 1c89 s VAL 115 N 0.37 4.83 -2.07 1.09 0.11 -1.25 -4.79 120.40 118.68 1c89 s VAL 115 Ca 0.40 0.53 0.22 0.00 -2.93 0.00 0.00 61.98 60.20 1c89 s VAL 115 Cb -0.19 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 1c89 s VAL 115 CO 0.22 -0.45 1.08 -3.20 -3.33 0.00 0.00 175.10 169.42 1c89 n ASN 116 N -1.14 2.08 -4.42 3.54 5.15 -1.26 -0.15 115.26 119.05 1c89 n ASN 116 Ca 0.02 -1.54 -0.21 0.00 -0.60 0.00 0.00 54.58 52.25 1c89 n ASN 116 Cb 0.54 0.44 -0.10 0.00 -0.53 0.00 0.00 39.78 40.13 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1c89 s ARG 117 N -2.40 1.52 0.32 1.20 3.52 -1.26 -4.69 118.95 117.16 1c89 s ARG 117 Ca 0.19 -1.74 -0.27 0.00 -0.13 0.00 0.00 55.73 53.78 1c89 s ARG 117 Cb 0.18 -1.26 -0.10 0.00 -1.56 0.00 0.00 34.95 32.21 1c89 s ARG 117 CO 0.54 0.12 0.96 0.00 -0.81 0.00 0.00 175.30 176.12 1c89 s ALA 118 N -2.91 3.23 -0.05 6.12 0.00 -1.26 -4.11 121.76 122.77 1c89 s ALA 118 Ca 0.28 0.58 0.06 0.00 0.00 0.00 0.00 51.96 52.87 1c89 s ALA 118 Cb 0.01 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 1c89 s ALA 118 CO 0.11 0.12 -0.23 0.08 0.00 0.00 0.00 175.76 175.84 1c89 s VAL 119 N -1.54 2.25 0.00 0.00 1.01 0.25 -4.89 120.40 117.49 1c89 s VAL 119 Ca 0.49 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1c89 s VAL 119 Cb -0.21 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1c89 s VAL 119 CO 0.26 0.57 0.00 -1.22 0.00 0.00 0.00 175.10 174.71 1c89 n TYR 120 N 2.79 -1.21 0.00 5.22 4.01 -1.26 -1.79 117.16 124.93 1c89 n TYR 120 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1c89 n TYR 120 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1c89 n TYR 120 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1c89 n LEU 121 N 0.00 0.00 -4.44 7.72 7.99 -1.23 -3.92 117.00 123.12 1c89 n LEU 121 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 55.83 1c89 n LEU 121 Cb 0.00 0.00 -0.17 0.00 -0.11 0.00 0.00 43.42 43.14 1c89 n LEU 121 CO 0.00 0.00 1.75 -0.90 -1.51 0.00 0.00 177.39 176.73 1c89 n ASP 122 N 0.00 -0.91 -4.41 -1.43 5.68 -0.06 -4.43 116.55 110.99 1c89 n ASP 122 Ca 0.00 -0.90 -0.30 0.00 -0.50 0.00 0.00 54.79 53.09 1c89 n ASP 122 Cb 0.00 -0.77 -0.13 0.00 -1.14 0.00 0.00 41.12 39.08 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1c89 s GLN 123 N 7.09 1.84 -0.17 0.11 0.74 -0.61 -4.68 119.66 123.98 1c89 s GLN 123 Ca 1.05 -1.11 -0.29 0.00 0.05 0.00 0.00 55.36 55.06 1c89 s GLN 123 Cb -0.58 -2.06 -0.00 0.00 1.10 0.00 0.00 33.01 31.47 1c89 s GLN 123 CO 0.40 0.51 1.08 0.99 -0.55 0.00 0.00 175.29 177.72 1c89 s THR 124 N -0.92 4.61 0.02 -0.34 2.01 -1.26 0.33 115.64 120.07 1c89 s THR 124 Ca 0.14 1.92 -0.30 0.00 0.31 0.00 0.00 61.69 63.75 1c89 s THR 124 Cb -0.10 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 1c89 s THR 124 CO 0.05 -0.11 1.23 -0.22 -0.69 0.00 0.00 174.62 174.88 1c89 s LEU 125 N 2.85 4.33 0.23 4.42 2.96 0.02 -4.93 118.68 128.56 1c89 s LEU 125 Ca 0.48 1.97 0.10 0.00 -0.22 0.00 0.00 54.13 56.46 1c89 s LEU 125 Cb -0.18 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 1c89 s LEU 125 CO 0.12 -0.55 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.39 1c89 s MET 126 N 1.63 1.47 0.00 1.98 -1.94 -1.26 -0.56 119.30 120.62 1c89 s MET 126 Ca 0.59 -1.65 0.23 0.00 -1.71 0.00 0.00 55.69 53.14 1c89 s MET 126 Cb -0.28 -1.42 1.08 0.00 2.01 0.00 0.00 34.83 36.22 1c89 s MET 126 CO 0.26 0.26 1.73 -0.35 -0.01 0.00 0.00 175.02 176.91 1c89 n PRO 127 N -0.42 0.20 0.12 2.03 -0.04 -1.26 -2.86 135.00 132.78 1c89 n PRO 127 Ca -0.07 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 1c89 n PRO 127 Cb 0.60 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.59 1c89 n PRO 127 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1c89 h ASP 128 N 0.00 0.00 0.46 3.54 3.04 -1.95 -3.31 116.42 118.21 1c89 h ASP 128 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1c89 h ASP 128 Cb 0.28 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.57 1c89 h ASP 128 CO 0.00 0.20 -1.04 1.15 -2.04 0.00 0.00 179.24 177.52 1c89 n MET 129 N -2.92 0.31 -2.61 4.15 0.00 -1.13 -4.93 117.12 109.99 1c89 n MET 129 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.47 1c89 n MET 129 Cb 0.64 -1.60 0.06 0.00 0.00 0.00 0.00 33.22 32.31 1c89 n MET 129 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1c89 s VAL 130 N -3.21 2.48 0.00 3.17 1.01 -1.22 -4.24 120.40 118.39 1c89 s VAL 130 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1c89 s VAL 130 Cb 0.14 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1c89 s VAL 130 CO 0.80 0.00 0.00 0.29 0.00 0.00 0.00 175.10 176.19 1c89 n LYS 131 N -2.51 0.78 -3.51 2.72 5.02 -1.26 -4.97 118.16 114.43 1c89 n LYS 131 Ca 0.10 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.99 1c89 n LYS 131 Cb 0.60 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.51 1c89 n LYS 131 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1c89 s ASN 132 N -1.00 6.08 0.78 4.39 -0.87 -1.26 -4.99 114.94 118.06 1c89 s ASN 132 Ca 0.00 -0.33 0.00 0.00 -1.57 0.00 0.00 52.86 50.96 1c89 s ASN 132 Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 41.25 39.08 1c89 s ASN 132 CO 0.00 -0.23 0.00 -1.22 -2.57 0.00 0.00 177.10 173.08 1c89 n TYR 133 N 5.15 -2.33 0.91 2.20 4.01 -1.26 -5.26 117.16 120.58 1c89 n TYR 133 Ca -0.12 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.73 1c89 n TYR 133 Cb 0.50 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.62 1c89 n TYR 133 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79