#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 1.83 0.24 1.20 0.00 -1.26 -5.02 119.74 116.73 1c89 s LYS 2 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 55.97 54.65 1c89 s LYS 2 Cb 0.00 -2.35 -0.09 0.00 0.00 0.00 0.00 37.83 35.40 1c89 s LYS 2 CO 0.00 -1.33 1.00 0.00 0.00 0.00 0.00 175.35 175.02 1c89 s ALA 3 N -3.09 3.35 0.42 0.59 0.00 -1.26 -4.59 121.76 117.19 1c89 s ALA 3 Ca 0.65 0.71 0.08 0.00 0.00 0.00 0.00 51.96 53.40 1c89 s ALA 3 Cb -0.06 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 1c89 s ALA 3 CO 0.43 0.05 0.49 -1.12 0.00 0.00 0.00 175.76 175.61 1c89 s SER 4 N -0.91 5.35 -0.96 0.00 0.01 0.84 -4.12 113.70 113.91 1c89 s SER 4 Ca 0.43 -0.59 -0.21 0.00 1.31 0.00 0.00 55.95 56.89 1c89 s SER 4 Cb -0.28 -0.58 0.09 0.00 0.21 0.00 0.00 66.02 65.46 1c89 s SER 4 CO 0.35 -0.73 1.28 -0.69 0.41 0.00 0.00 173.24 173.86 1c89 s VAL 5 N -2.42 4.31 -0.13 3.43 1.01 -0.63 -2.10 120.40 123.87 1c89 s VAL 5 Ca 0.52 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 1c89 s VAL 5 Cb -0.07 -4.92 -0.02 0.00 0.00 0.00 0.00 36.38 31.38 1c89 s VAL 5 CO 0.31 -1.72 -0.12 -0.69 0.00 0.00 0.00 175.10 172.88 1c89 s VAL 6 N 3.89 3.20 0.13 2.92 1.01 -0.17 -1.08 120.40 130.30 1c89 s VAL 6 Ca 0.39 -0.61 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 1c89 s VAL 6 Cb -0.03 -2.35 -0.08 0.00 0.00 0.00 0.00 36.38 33.93 1c89 s VAL 6 CO -0.09 0.53 1.32 0.00 0.00 0.00 0.00 175.10 176.86 1c89 s ALA 7 N 0.26 3.53 0.02 5.51 0.00 0.28 -1.45 121.76 129.91 1c89 s ALA 7 Ca -0.08 1.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.84 1c89 s ALA 7 Cb -0.15 -3.50 -0.32 0.00 0.00 0.00 0.00 23.12 19.15 1c89 s ALA 7 CO 0.05 -0.55 0.94 -2.95 0.00 0.00 0.00 175.76 173.26 1c89 h ASN 8 N 6.36 0.62 -2.53 0.00 -1.07 -1.87 0.38 115.58 117.47 1c89 h ASN 8 Ca -0.43 -0.74 -0.45 0.00 0.07 0.00 0.00 56.30 54.75 1c89 h ASN 8 Cb 1.21 -0.20 0.07 0.00 -2.07 0.00 0.00 38.32 37.33 1c89 h ASN 8 CO 0.82 1.59 0.07 0.00 0.07 0.00 0.00 177.43 179.98 1c89 s GLN 9 N -2.61 2.08 0.36 4.14 -2.07 -1.26 -3.68 119.66 116.61 1c89 s GLN 9 Ca -0.09 -0.86 -0.27 0.00 -1.82 0.00 0.00 55.36 52.32 1c89 s GLN 9 Cb 0.06 -2.37 -0.09 0.00 -1.09 0.00 0.00 33.01 29.52 1c89 s GLN 9 CO 0.90 -1.13 1.19 -1.17 -1.32 0.00 0.00 175.29 173.75 1c89 s LEU 10 N -5.01 4.33 -0.21 2.60 2.96 -1.26 -3.93 118.68 118.17 1c89 s LEU 10 Ca 0.62 2.41 -0.06 0.00 -0.22 0.00 0.00 54.13 56.88 1c89 s LEU 10 Cb -0.08 -3.84 -0.03 0.00 0.50 0.00 0.00 46.19 42.74 1c89 s LEU 10 CO 0.42 -0.52 0.04 -0.63 -1.32 0.00 0.00 176.35 174.34 1c89 s ILE 11 N -1.29 4.32 0.00 6.68 -1.09 -0.96 -4.84 121.20 124.01 1c89 s ILE 11 Ca 0.52 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 1c89 s ILE 11 Cb -0.33 -2.96 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 1c89 s ILE 11 CO 0.43 0.41 0.00 -0.81 -1.23 0.00 0.00 174.94 173.74 1c89 n PRO 12 N 4.18 1.18 -4.22 2.79 -0.04 -1.26 -0.26 135.00 137.37 1c89 n PRO 12 Ca -0.17 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.04 1c89 n PRO 12 Cb 0.52 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.91 1c89 n PRO 12 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1c89 s ILE 13 N 0.00 3.75 -1.22 0.52 -0.00 -1.26 -3.93 121.20 119.06 1c89 s ILE 13 Ca 0.00 -1.56 -0.11 0.00 -0.00 0.00 0.00 60.65 58.98 1c89 s ILE 13 Cb 0.00 -2.94 0.02 0.00 -0.00 0.00 0.00 42.46 39.54 1c89 s ILE 13 CO 0.00 -0.22 0.21 -0.46 -0.00 0.00 0.00 174.94 174.47 1c89 n ASN 14 N -0.48 -0.73 -4.17 4.36 0.23 -0.68 -4.81 115.26 108.97 1c89 n ASN 14 Ca -0.08 -1.10 -0.25 0.00 -0.53 0.00 0.00 54.58 52.61 1c89 n ASN 14 Cb 0.57 -1.35 -0.15 0.00 -2.08 0.00 0.00 39.78 36.76 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1c89 s THR 15 N -4.03 1.43 -1.00 5.53 2.01 -1.26 -4.78 115.64 113.54 1c89 s THR 15 Ca 0.15 -0.77 -0.22 0.00 0.31 0.00 0.00 61.69 61.16 1c89 s THR 15 Cb -0.09 -1.20 0.06 0.00 0.01 0.00 0.00 72.50 71.29 1c89 s THR 15 CO 0.84 0.41 1.41 0.00 -0.69 0.00 0.00 174.62 176.59 1c89 s ALA 16 N -0.36 2.80 0.57 7.40 0.00 -1.23 -3.56 121.76 127.38 1c89 s ALA 16 Ca 0.05 -2.32 -0.18 0.00 0.00 0.00 0.00 51.96 49.52 1c89 s ALA 16 Cb -0.08 -4.46 -0.11 0.00 0.00 0.00 0.00 23.12 18.47 1c89 s ALA 16 CO -0.00 -3.53 0.23 1.28 0.00 0.00 0.00 175.76 173.74 1c89 n LEU 17 N 8.59 -1.14 -4.72 0.00 4.77 -0.89 -4.16 117.00 119.45 1c89 n LEU 17 Ca 0.31 0.67 -0.32 0.00 -0.03 0.00 0.00 56.01 56.65 1c89 n LEU 17 Cb 0.51 -1.04 -0.08 0.00 -2.33 0.00 0.00 43.42 40.47 1c89 n LEU 17 CO 0.64 -3.82 -0.26 0.42 -1.33 0.00 0.00 177.39 173.04 1c89 s THR 18 N -1.85 1.30 0.25 -5.08 -4.23 -1.26 0.27 115.64 105.04 1c89 s THR 18 Ca 0.63 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1c89 s THR 18 Cb -0.45 -2.34 0.23 0.00 1.34 0.00 0.00 72.50 71.27 1c89 s THR 18 CO 0.60 0.00 1.80 -0.07 -0.54 0.00 0.00 174.62 176.41 1c89 h LEU 19 N 1.46 0.67 -1.04 4.79 -0.00 -1.94 -0.44 115.31 118.81 1c89 h LEU 19 Ca -0.44 0.06 0.05 0.00 -0.00 0.00 0.00 57.88 57.55 1c89 h LEU 19 Cb 1.30 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 41.83 1c89 h LEU 19 CO 0.75 0.36 0.64 0.40 -0.00 0.00 0.00 178.44 180.59 1c89 h ILE 20 N 0.77 1.13 -0.04 1.22 5.03 -2.02 0.85 117.51 124.46 1c89 h ILE 20 Ca 0.42 -0.41 0.00 0.00 -0.12 0.00 0.00 64.86 64.75 1c89 h ILE 20 Cb 0.44 -0.18 0.00 0.00 -3.03 0.00 0.00 36.82 34.05 1c89 h ILE 20 CO -0.27 0.22 0.00 0.23 -0.68 0.00 0.00 178.15 177.65 1c89 n MET 21 N -4.46 1.26 -3.73 2.37 2.81 -0.27 -4.67 117.12 110.42 1c89 n MET 21 Ca 0.14 -0.38 -0.38 0.00 -1.81 0.00 0.00 57.70 55.27 1c89 n MET 21 Cb 0.14 -1.38 -0.12 0.00 -0.71 0.00 0.00 33.22 31.15 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 -1.95 2.56 -0.18 0.03 0.00 0.29 -3.81 119.30 116.23 1c89 s MET 22 Ca 0.34 -1.29 -0.03 0.00 0.00 0.00 0.00 55.69 54.70 1c89 s MET 22 Cb 0.17 -3.53 -0.02 0.00 0.00 0.00 0.00 34.83 31.45 1c89 s MET 22 CO 0.27 -0.76 -0.05 0.15 0.00 0.00 0.00 175.02 174.63 1c89 s LYS 23 N 1.38 3.48 -1.33 4.11 1.02 -0.53 -4.91 119.74 122.96 1c89 s LYS 23 Ca -0.00 -0.60 -0.14 0.00 0.02 0.00 0.00 55.97 55.25 1c89 s LYS 23 Cb -0.20 -2.91 0.10 0.00 -0.52 0.00 0.00 37.83 34.29 1c89 s LYS 23 CO 0.02 0.02 1.87 0.00 -0.92 0.00 0.00 175.35 176.34 1c89 n ALA 24 N 4.16 4.69 -2.85 5.17 0.00 -1.25 -1.00 120.51 129.43 1c89 n ALA 24 Ca -0.18 -4.05 -0.28 0.00 0.00 0.00 0.00 53.44 48.93 1c89 n ALA 24 Cb 0.52 -3.33 -0.05 0.00 0.00 0.00 0.00 19.45 16.59 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 2.44 3.14 -0.66 0.00 2.12 -0.89 -4.54 118.70 120.31 1c89 s GLU 25 Ca 0.46 -0.66 -0.22 0.00 0.36 0.00 0.00 54.97 54.91 1c89 s GLU 25 Cb 0.07 -2.83 0.07 0.00 0.26 0.00 0.00 34.13 31.70 1c89 s GLU 25 CO -0.01 0.54 0.96 0.08 -0.54 0.00 0.00 175.26 176.29 1c89 s VAL 26 N -1.59 4.34 0.21 3.70 1.01 -1.26 -0.11 120.40 126.70 1c89 s VAL 26 Ca 0.32 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1c89 s VAL 26 Cb -0.12 -4.68 -0.03 0.00 0.00 0.00 0.00 36.38 31.55 1c89 s VAL 26 CO 0.25 -1.45 0.20 0.68 0.00 0.00 0.00 175.10 174.79 1c89 s VAL 27 N 4.01 0.00 0.14 2.92 -7.23 -1.26 -4.97 120.40 114.01 1c89 s VAL 27 Ca 0.22 -1.88 0.06 0.00 -1.81 0.00 0.00 61.98 58.57 1c89 s VAL 27 Cb -0.17 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1c89 s VAL 27 CO 0.10 0.00 0.02 0.28 -0.31 0.00 0.00 175.10 175.19 1c89 s THR 28 N -4.12 3.98 0.61 5.32 -1.32 -1.26 -3.69 115.64 115.15 1c89 s THR 28 Ca 0.36 -1.18 -0.14 0.00 -1.21 0.00 0.00 61.69 59.51 1c89 s THR 28 Cb 0.05 -2.96 -0.03 0.00 -1.51 0.00 0.00 72.50 68.04 1c89 s THR 28 CO 0.12 -0.02 1.04 -2.16 -2.21 0.00 0.00 174.62 171.39 1c89 s PRO 29 N -2.71 3.40 -1.00 7.08 0.04 -1.26 -5.01 135.00 135.53 1c89 s PRO 29 Ca 0.27 1.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.11 1c89 s PRO 29 Cb -0.10 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 1c89 s PRO 29 CO 0.19 -0.73 1.93 0.00 0.04 0.00 0.00 177.00 178.43 1c89 n MET 30 N -2.33 1.73 0.00 4.56 0.00 -1.24 -4.89 117.12 114.94 1c89 n MET 30 Ca 0.08 -2.23 0.00 0.00 0.00 0.00 0.00 57.70 55.55 1c89 n MET 30 Cb 0.53 -3.29 0.00 0.00 0.00 0.00 0.00 33.22 30.46 1c89 n MET 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1c89 n GLY 31 N 5.05 -3.28 3.75 3.17 0.00 -1.26 -4.86 105.19 107.76 1c89 n GLY 31 Ca 0.48 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 4.57 0.31 -0.61 1.01 -1.01 -4.93 121.20 120.53 1c89 s ILE 32 Ca 0.00 1.74 -0.05 0.00 0.00 0.00 0.00 60.65 62.34 1c89 s ILE 32 Cb 0.00 -4.17 0.08 0.00 0.01 0.00 0.00 42.46 38.38 1c89 s ILE 32 CO 0.00 0.40 0.32 -0.81 0.00 0.00 0.00 174.94 174.86 1c89 n PRO 33 N 2.42 -1.15 -0.37 2.79 -0.04 -1.26 -1.61 135.00 135.78 1c89 n PRO 33 Ca -0.02 -0.51 -0.02 0.00 -0.04 0.00 0.00 63.50 62.91 1c89 n PRO 33 Cb 0.49 -0.42 0.11 0.00 -0.04 0.00 0.00 33.50 33.64 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 -3.41 3.27 0.13 0.55 0.00 -1.26 -4.30 120.51 115.50 1c89 n ALA 34 Ca -0.06 -0.84 -0.13 0.00 0.00 0.00 0.00 53.44 52.41 1c89 n ALA 34 Cb 0.16 -1.10 -0.08 0.00 0.00 0.00 0.00 19.45 18.43 1c89 n ALA 34 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1c89 h GLU 35 N 0.94 -0.33 -1.13 0.00 4.81 -1.94 -2.97 114.58 113.95 1c89 h GLU 35 Ca 0.10 0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 59.12 1c89 h GLU 35 Cb 1.32 0.08 -0.13 0.00 0.63 0.00 0.00 28.75 30.64 1c89 h GLU 35 CO 0.27 -0.02 0.31 0.39 -0.73 0.00 0.00 179.01 179.23 1c89 n GLU 36 N -5.11 1.58 0.07 1.92 4.71 -1.26 -4.54 120.64 118.01 1c89 n GLU 36 Ca -0.09 -1.32 -0.13 0.00 -0.01 0.00 0.00 57.16 55.61 1c89 n GLU 36 Cb 0.24 -1.52 -0.06 0.00 -1.01 0.00 0.00 31.44 29.10 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1c89 h ILE 37 N 0.56 0.24 0.00 -3.67 1.08 -1.80 2.37 117.51 116.29 1c89 h ILE 37 Ca 0.27 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.74 1c89 h ILE 37 Cb 1.60 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 1c89 h ILE 37 CO 0.53 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.18 1c89 n PRO 38 N -5.43 0.05 -0.09 2.37 -0.04 -1.26 -0.44 135.00 130.16 1c89 n PRO 38 Ca -0.05 0.28 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1c89 n PRO 38 Cb 0.35 -1.60 -0.11 0.00 -0.04 0.00 0.00 33.50 32.10 1c89 n PRO 38 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1c89 n ASN 39 N -1.69 1.88 0.04 3.54 2.85 -0.04 -4.50 115.26 117.34 1c89 n ASN 39 Ca 0.03 -0.07 0.12 0.00 -0.11 0.00 0.00 54.58 54.55 1c89 n ASN 39 Cb 0.20 0.15 0.07 0.00 1.24 0.00 0.00 39.78 41.44 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1c89 n LEU 40 N -2.90 0.65 -4.63 1.20 0.00 0.78 -4.89 117.00 107.21 1c89 n LEU 40 Ca -0.32 0.09 -0.36 0.00 0.00 0.00 0.00 56.01 55.42 1c89 n LEU 40 Cb 0.94 -0.13 0.07 0.00 0.00 0.00 0.00 43.42 44.31 1c89 n LEU 40 CO 0.26 -0.01 0.57 0.52 0.00 0.00 0.00 177.39 178.73 1c89 n VAL 41 N -2.06 3.36 -0.94 1.96 0.31 0.42 -1.80 118.33 119.57 1c89 n VAL 41 Ca 0.02 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1c89 n VAL 41 Cb 0.45 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 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 1.14 0.33 3.78 2.92 0.00 0.75 -4.89 105.19 109.22 1c89 n GLY 42 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.83 3.24 0.07 1.61 0.00 -0.74 -3.97 119.30 118.67 1c89 s MET 43 Ca 0.00 1.48 -0.12 0.00 0.00 0.00 0.00 55.69 57.06 1c89 s MET 43 Cb 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 34.83 32.77 1c89 s MET 43 CO 0.00 -0.92 0.42 -0.65 0.00 0.00 0.00 175.02 173.87 1c89 s GLN 44 N -3.59 3.83 0.50 3.16 -0.21 -1.24 -2.10 119.66 120.01 1c89 s GLN 44 Ca 0.70 0.27 0.05 0.00 0.02 0.00 0.00 55.36 56.40 1c89 s GLN 44 Cb -0.21 -3.04 0.03 0.00 1.00 0.00 0.00 33.01 30.79 1c89 s GLN 44 CO 0.31 0.58 0.70 0.14 -2.12 0.00 0.00 175.29 174.90 1c89 s VAL 45 N -1.33 2.75 -0.04 1.09 -7.23 -1.23 -1.15 120.40 113.25 1c89 s VAL 45 Ca 0.31 -0.82 0.20 0.00 -1.81 0.00 0.00 61.98 59.86 1c89 s VAL 45 Cb -0.15 -2.92 -0.31 0.00 0.56 0.00 0.00 36.38 33.56 1c89 s VAL 45 CO 0.17 0.00 0.42 -3.20 -0.31 0.00 0.00 175.10 172.18 1c89 n ASN 46 N -2.15 0.35 -3.78 4.85 2.85 -1.26 -1.68 115.26 114.44 1c89 n ASN 46 Ca 0.09 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.45 1c89 n ASN 46 Cb 0.60 1.85 -0.07 0.00 1.24 0.00 0.00 39.78 43.40 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 -3.34 0.85 0.45 1.20 1.70 -1.26 -4.76 118.95 113.79 1c89 s ARG 47 Ca -0.08 -0.69 -0.23 0.00 -0.47 0.00 0.00 55.73 54.26 1c89 s ARG 47 Cb 0.12 0.36 -0.08 0.00 -0.57 0.00 0.00 34.95 34.78 1c89 s ARG 47 CO 0.84 -0.28 1.11 0.00 -1.08 0.00 0.00 175.30 175.89 1c89 s ALA 48 N -3.16 2.98 -0.03 7.88 0.00 -1.25 -4.63 121.76 123.55 1c89 s ALA 48 Ca -0.01 0.81 0.08 0.00 0.00 0.00 0.00 51.96 52.84 1c89 s ALA 48 Cb 0.01 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1c89 s ALA 48 CO -0.07 -0.48 -0.26 0.08 0.00 0.00 0.00 175.76 175.04 1c89 s VAL 49 N -1.65 2.04 -0.98 0.00 1.01 0.64 -4.97 120.40 116.48 1c89 s VAL 49 Ca 0.63 -1.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 1c89 s VAL 49 Cb -0.25 -1.70 -0.10 0.00 0.00 0.00 0.00 36.38 34.34 1c89 s VAL 49 CO 0.30 0.58 2.00 -0.81 0.00 0.00 0.00 175.10 177.16 1c89 n PRO 50 N 2.53 1.89 -1.20 2.72 -0.04 -1.26 -2.25 135.00 137.40 1c89 n PRO 50 Ca -0.16 -2.11 0.13 0.00 -0.04 0.00 0.00 63.50 61.31 1c89 n PRO 50 Cb 0.51 -3.08 -0.06 0.00 -0.04 0.00 0.00 33.50 30.84 1c89 n PRO 50 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1c89 n LEU 51 N 7.59 -0.69 -3.68 1.53 4.32 -1.26 -4.80 117.00 120.01 1c89 n LEU 51 Ca 0.50 1.60 -0.24 0.00 -0.02 0.00 0.00 56.01 57.85 1c89 n LEU 51 Cb 0.41 -3.31 0.03 0.00 -1.62 0.00 0.00 43.42 38.93 1c89 n LEU 51 CO 0.98 -1.90 -0.08 0.61 -1.22 0.00 0.00 177.39 175.77 1c89 n GLY 52 N -3.82 -0.57 3.52 -0.72 0.00 0.12 -4.88 105.19 98.84 1c89 n GLY 52 Ca -0.05 0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.62 4.43 0.54 2.61 2.01 -0.53 -4.66 115.64 116.43 1c89 s THR 53 Ca 0.18 0.30 -0.17 0.00 0.31 0.00 0.00 61.69 62.31 1c89 s THR 53 Cb -0.05 -4.51 -0.06 0.00 0.01 0.00 0.00 72.50 67.89 1c89 s THR 53 CO 0.83 -1.05 1.03 0.28 -0.69 0.00 0.00 174.62 175.01 1c89 s THR 54 N 3.84 3.98 -1.04 -0.82 -1.32 -1.26 0.10 115.64 119.12 1c89 s THR 54 Ca 0.30 1.03 -0.19 0.00 -1.21 0.00 0.00 61.69 61.62 1c89 s THR 54 Cb -0.13 -3.48 -0.08 0.00 -1.51 0.00 0.00 72.50 67.30 1c89 s THR 54 CO 0.20 -0.47 2.05 -0.11 -2.21 0.00 0.00 174.62 174.08 1c89 n LEU 55 N -1.59 5.19 -4.81 9.08 -0.00 -0.24 -4.90 117.00 119.74 1c89 n LEU 55 Ca 0.08 -3.38 -0.38 0.00 -0.00 0.00 0.00 56.01 52.33 1c89 n LEU 55 Cb 0.53 -1.33 -0.06 0.00 -0.00 0.00 0.00 43.42 42.56 1c89 n LEU 55 CO 0.45 0.22 0.33 -0.32 -0.00 0.00 0.00 177.39 178.07 1c89 s MET 56 N 4.28 4.27 0.46 1.96 -2.45 -1.26 -2.41 119.30 124.15 1c89 s MET 56 Ca 0.53 0.83 0.30 0.00 -1.25 0.00 0.00 55.69 56.10 1c89 s MET 56 Cb 0.14 -3.18 1.15 0.00 1.25 0.00 0.00 34.83 34.18 1c89 s MET 56 CO 0.04 0.59 1.88 -1.00 1.05 0.00 0.00 175.02 177.57 1c89 h PRO 57 N 4.30 0.00 0.11 4.11 0.13 -1.91 -2.48 132.00 136.27 1c89 h PRO 57 Ca -0.49 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.36 1c89 h PRO 57 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1c89 h PRO 57 CO 0.64 0.00 -1.34 0.22 -0.23 0.00 0.00 178.00 177.29 1c89 h ASP 58 N 0.00 0.37 -0.47 1.44 3.58 -1.96 -3.31 116.42 116.06 1c89 h ASP 58 Ca 0.00 -0.44 -0.02 0.00 0.42 0.00 0.00 57.03 56.99 1c89 h ASP 58 Cb 0.55 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1c89 h ASP 58 CO 0.00 1.36 0.02 0.23 -2.88 0.00 0.00 179.24 177.96 1c89 n MET 59 N -3.48 4.09 -4.00 0.28 2.81 -1.16 -4.83 117.12 110.83 1c89 n MET 59 Ca -0.11 -3.06 -0.31 0.00 -1.81 0.00 0.00 57.70 52.42 1c89 n MET 59 Cb 1.03 -2.11 -0.15 0.00 -0.71 0.00 0.00 33.22 31.27 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 -2.82 2.33 0.04 2.03 1.01 -0.94 -3.98 120.40 118.07 1c89 s VAL 60 Ca 0.50 -2.55 -0.32 0.00 0.00 0.00 0.00 61.98 59.61 1c89 s VAL 60 Cb 0.39 -2.71 -0.18 0.00 0.00 0.00 0.00 36.38 33.89 1c89 s VAL 60 CO 0.13 -0.64 1.39 0.50 0.00 0.00 0.00 175.10 176.47 1c89 h LYS 61 N 7.38 -1.05 -3.28 2.72 3.64 -1.82 -3.16 116.57 120.99 1c89 h LYS 61 Ca -0.05 0.07 -0.67 0.00 -1.27 0.00 0.00 60.65 58.73 1c89 h LYS 61 Cb 0.99 0.24 0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1c89 h LYS 61 CO 0.56 -0.69 3.64 -1.71 -2.27 0.00 0.00 179.45 178.98 1c89 n ASN 62 N -5.52 7.38 -4.57 4.20 2.85 -0.30 -4.88 115.26 114.42 1c89 n ASN 62 Ca -0.14 -2.64 -0.41 0.00 -0.11 0.00 0.00 54.58 51.28 1c89 n ASN 62 Cb 0.44 -1.57 -0.03 0.00 1.24 0.00 0.00 39.78 39.86 1c89 n ASN 62 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1c89 s TYR 63 N 2.48 1.88 0.71 1.20 6.14 -1.20 -4.49 117.35 124.08 1c89 s TYR 63 Ca 0.63 0.66 -0.13 0.00 0.64 0.00 0.00 57.07 58.87 1c89 s TYR 63 Cb 0.17 -4.18 -0.11 0.00 0.42 0.00 0.00 41.96 38.25 1c89 s TYR 63 CO -0.07 -2.39 -0.64 -0.85 0.64 0.00 0.00 175.55 172.24 1c89 n GLU 64 N 8.80 0.00 -0.98 4.97 0.00 -1.26 -4.61 120.64 127.55 1c89 n GLU 64 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 57.15 1c89 n GLU 64 Cb 0.50 -0.71 -0.10 0.00 0.00 0.00 0.00 31.44 31.13 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1c89 n ASP 65 N 2.48 5.80 -0.50 -1.84 5.75 -1.26 -4.11 116.55 122.87 1c89 n ASP 65 Ca -0.01 -2.41 0.09 0.00 -0.01 0.00 0.00 54.79 52.44 1c89 n ASP 65 Cb 0.42 -1.32 0.20 0.00 -1.03 0.00 0.00 41.12 39.38 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 2.97 4.33 3.77 6.12 0.00 -1.26 -5.03 105.19 116.08 1c89 n GLY 66 Ca 0.50 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.73 2.35 0.00 2.61 -4.23 -1.26 -5.07 115.64 107.31 1c89 s THR 67 Ca 0.36 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 1c89 s THR 67 Cb 0.30 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1c89 s THR 67 CO 0.06 -0.15 0.00 0.41 -0.54 0.00 0.00 174.62 174.40 1c89 n THR 68 N -3.74 0.00 -1.99 3.99 -1.04 -1.26 -4.95 114.28 105.29 1c89 n THR 68 Ca 0.06 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.67 1c89 n THR 68 Cb 0.58 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.07 1c89 n THR 68 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1c89 s SER 69 N -1.00 6.60 0.00 8.00 1.04 -1.26 -4.99 113.70 122.10 1c89 s SER 69 Ca 0.00 2.82 0.00 0.00 0.48 0.00 0.00 55.95 59.25 1c89 s SER 69 Cb 0.00 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1c89 s SER 69 CO 0.00 -0.68 0.02 -0.81 0.98 0.00 0.00 173.24 172.75 1c89 n PRO 70 N 0.87 0.00 0.00 4.02 -0.04 -1.26 -4.86 135.00 133.73 1c89 n PRO 70 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1c89 n PRO 70 Cb 0.41 -0.22 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 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 1.96 2.18 2.37 0.55 0.00 -1.26 -4.31 105.19 106.69 1c89 n GLY 71 Ca 0.00 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 6.45 -4.73 0.99 4.77 -1.26 -4.95 117.00 118.27 1c89 n LEU 72 Ca 0.00 -3.97 -0.42 0.00 -0.03 0.00 0.00 56.01 51.59 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 1.10 -1.59 -1.33 0.00 0.00 177.39 177.34 1c89 s LYS 73 N -0.92 4.29 0.26 3.23 -2.85 -1.26 -4.41 119.74 118.08 1c89 s LYS 73 Ca 0.61 2.20 0.09 0.00 -1.00 0.00 0.00 55.97 57.87 1c89 s LYS 73 Cb 0.34 -3.18 -0.04 0.00 -2.06 0.00 0.00 37.83 32.89 1c89 s LYS 73 CO -0.15 -0.44 0.00 -1.12 0.10 0.00 0.00 175.35 173.74 1c89 s SER 74 N 0.76 4.58 -0.09 0.03 0.01 -0.51 -4.43 113.70 114.06 1c89 s SER 74 Ca 0.63 -0.61 -0.27 0.00 1.31 0.00 0.00 55.95 57.00 1c89 s SER 74 Cb -0.40 -0.87 -0.02 0.00 0.21 0.00 0.00 66.02 64.94 1c89 s SER 74 CO 0.36 0.01 0.88 -0.69 0.41 0.00 0.00 173.24 174.21 1c89 s VAL 75 N -2.26 4.89 0.02 3.43 1.01 -1.03 0.25 120.40 126.71 1c89 s VAL 75 Ca 0.31 1.80 0.03 0.00 0.00 0.00 0.00 61.98 64.12 1c89 s VAL 75 Cb -0.07 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1c89 s VAL 75 CO 0.20 0.11 -0.10 -0.69 0.00 0.00 0.00 175.10 174.62 1c89 s VAL 76 N 1.51 0.74 -0.99 2.92 1.01 0.26 -1.52 120.40 124.33 1c89 s VAL 76 Ca 0.44 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 1c89 s VAL 76 Cb -0.18 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.54 1c89 s VAL 76 CO 0.19 -0.01 1.60 0.00 0.00 0.00 0.00 175.10 176.87 1c89 s ALA 77 N -0.66 2.41 0.41 5.51 0.00 0.30 -1.68 121.76 128.05 1c89 s ALA 77 Ca -0.01 -2.05 0.10 0.00 0.00 0.00 0.00 51.96 50.00 1c89 s ALA 77 Cb -0.06 -4.54 0.91 0.00 0.00 0.00 0.00 23.12 19.43 1c89 s ALA 77 CO 0.00 -3.96 1.99 -0.97 0.00 0.00 0.00 175.76 172.82 1c89 h ASN 78 N 10.20 0.48 -4.51 0.00 -1.24 -1.78 -0.26 115.58 118.46 1c89 h ASN 78 Ca 0.17 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.98 1c89 h ASN 78 Cb 1.01 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.95 1c89 h ASN 78 CO 1.37 0.30 -0.08 1.67 -1.29 0.00 0.00 177.43 179.40 1c89 n GLN 79 N -4.48 1.11 -3.57 6.67 -0.06 -1.26 -2.57 117.38 113.22 1c89 n GLN 79 Ca 0.09 -1.23 -0.36 0.00 -2.00 0.00 0.00 57.00 53.49 1c89 n GLN 79 Cb 0.27 0.08 -0.07 0.00 -4.06 0.00 0.00 30.24 26.46 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1c89 s LEU 80 N 0.00 4.25 -0.10 1.69 0.20 -1.25 -3.77 118.68 119.69 1c89 s LEU 80 Ca 0.14 0.47 0.04 0.00 0.69 0.00 0.00 54.13 55.47 1c89 s LEU 80 Cb -0.01 -2.33 0.00 0.00 -0.43 0.00 0.00 46.19 43.42 1c89 s LEU 80 CO 0.09 0.12 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.41 1c89 s ILE 81 N 0.39 1.98 0.65 6.68 -1.09 -0.73 -4.96 121.20 124.13 1c89 s ILE 81 Ca 0.15 -0.98 -0.13 0.00 -2.23 0.00 0.00 60.65 57.47 1c89 s ILE 81 Cb -0.13 -1.72 -0.01 0.00 -1.58 0.00 0.00 42.46 39.03 1c89 s ILE 81 CO 0.03 0.54 1.06 -2.16 -1.23 0.00 0.00 174.94 173.19 1c89 s PRO 82 N 0.36 3.07 0.28 2.79 0.04 -1.26 0.35 135.00 140.63 1c89 s PRO 82 Ca -0.18 1.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 1c89 s PRO 82 Cb -0.18 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.23 1c89 s PRO 82 CO 0.09 -1.00 1.23 -0.89 0.04 0.00 0.00 177.00 176.46 1c89 n ILE 83 N -2.62 1.60 -2.79 0.56 5.41 -1.25 -3.54 119.36 116.73 1c89 n ILE 83 Ca 0.08 -0.40 -0.03 0.00 1.00 0.00 0.00 62.75 63.40 1c89 n ILE 83 Cb 0.53 -1.31 0.00 0.00 -0.71 0.00 0.00 39.64 38.15 1c89 n ILE 83 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1c89 n ASN 84 N 1.40 -7.17 -3.52 4.38 4.13 -0.22 -4.93 115.26 109.34 1c89 n ASN 84 Ca 0.09 0.18 -0.21 0.00 1.68 0.00 0.00 54.58 56.32 1c89 n ASN 84 Cb 0.32 -4.83 -0.14 0.00 -1.54 0.00 0.00 39.78 33.59 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1c89 s THR 85 N -2.74 -0.25 -0.83 3.41 2.01 -1.23 -4.80 115.64 111.20 1c89 s THR 85 Ca 0.10 -0.19 -0.18 0.00 0.31 0.00 0.00 61.69 61.73 1c89 s THR 85 Cb -0.03 -0.68 -0.21 0.00 0.01 0.00 0.00 72.50 71.59 1c89 s THR 85 CO 0.67 -0.27 2.19 0.00 -0.69 0.00 0.00 174.62 176.51 1c89 n ALA 86 N 5.30 0.61 -2.25 7.40 0.00 -1.26 -4.33 120.51 125.99 1c89 n ALA 86 Ca -0.06 -1.25 -0.38 0.00 0.00 0.00 0.00 53.44 51.75 1c89 n ALA 86 Cb 0.49 -2.78 -0.06 0.00 0.00 0.00 0.00 19.45 17.10 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 8.89 4.47 0.00 0.00 2.34 -1.07 -4.62 118.68 128.70 1c89 s LEU 87 Ca 0.98 1.27 0.02 0.00 0.06 0.00 0.00 54.13 56.47 1c89 s LEU 87 Cb -0.36 -3.08 -0.01 0.00 -0.56 0.00 0.00 46.19 42.17 1c89 s LEU 87 CO 0.26 0.21 0.08 0.35 -1.06 0.00 0.00 176.35 176.19 1c89 n THR 88 N 1.40 0.00 -0.24 5.48 -2.24 -1.26 0.25 114.28 117.68 1c89 n THR 88 Ca -0.08 -1.95 0.32 0.00 -2.27 0.00 0.00 64.05 60.07 1c89 n THR 88 Cb 0.51 0.61 0.73 0.00 -2.10 0.00 0.00 70.33 70.07 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 0.19 3.22 -0.00 -1.97 0.21 115.31 116.96 1c89 h LEU 89 Ca -0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.59 1c89 h LEU 89 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1c89 h LEU 89 CO 0.46 0.00 -0.09 0.58 -0.00 0.00 0.00 178.44 179.39 1c89 h VAL 90 N 0.00 0.83 0.00 0.15 2.07 -2.00 -2.88 116.25 114.41 1c89 h VAL 90 Ca 0.49 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.94 1c89 h VAL 90 Cb 2.10 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1c89 h VAL 90 CO -0.01 0.01 -0.39 0.24 0.02 0.00 0.00 177.57 177.44 1c89 h MET 91 N -0.27 0.00 -5.53 1.57 2.86 -1.34 -3.44 114.93 108.78 1c89 h MET 91 Ca -0.03 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 56.97 1c89 h MET 91 Cb 0.21 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.75 1c89 h MET 91 CO 0.04 0.15 -0.52 -1.64 1.06 0.00 0.00 176.91 175.99 1c89 s MET 92 N -3.15 3.66 -0.12 1.72 1.00 0.53 -3.77 119.30 119.18 1c89 s MET 92 Ca 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 55.69 55.51 1c89 s MET 92 Cb 0.07 -3.18 0.01 0.00 0.00 0.00 0.00 34.83 31.73 1c89 s MET 92 CO 0.72 0.54 -0.17 0.15 0.00 0.00 0.00 175.02 176.26 1c89 s LYS 93 N -0.37 2.46 -0.76 2.03 1.02 -0.68 -4.52 119.74 118.92 1c89 s LYS 93 Ca 0.10 -0.65 -0.26 0.00 0.02 0.00 0.00 55.97 55.18 1c89 s LYS 93 Cb -0.12 -2.05 0.02 0.00 -0.52 0.00 0.00 37.83 35.16 1c89 s LYS 93 CO 0.01 -0.05 1.41 0.00 -0.92 0.00 0.00 175.35 175.81 1c89 s ALA 94 N 0.93 2.62 -0.09 5.17 0.00 -1.25 -0.57 121.76 128.57 1c89 s ALA 94 Ca -0.07 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.56 1c89 s ALA 94 Cb -0.15 -4.31 -0.00 0.00 0.00 0.00 0.00 23.12 18.66 1c89 s ALA 94 CO -0.02 -3.47 -0.24 -1.21 0.00 0.00 0.00 175.76 170.83 1c89 s GLU 95 N 5.88 2.88 -0.88 0.00 0.41 0.68 -4.56 118.70 123.11 1c89 s GLU 95 Ca 0.42 -0.86 -0.25 0.00 -0.41 0.00 0.00 54.97 53.88 1c89 s GLU 95 Cb -0.08 -2.22 -0.05 0.00 -1.78 0.00 0.00 34.13 30.01 1c89 s GLU 95 CO 0.12 0.21 1.94 -2.00 -0.49 0.00 0.00 175.26 175.04 1c89 s GLU 96 N 0.26 2.56 0.28 1.61 2.56 -1.26 -1.43 118.70 123.28 1c89 s GLU 96 Ca -0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 54.97 54.59 1c89 s GLU 96 Cb -0.17 -5.00 -0.02 0.00 2.00 0.00 0.00 34.13 30.93 1c89 s GLU 96 CO 0.08 -3.32 0.31 0.54 -0.56 0.00 0.00 175.26 172.30 1c89 s VAL 97 N 10.00 0.00 0.12 3.70 0.11 -1.26 -4.90 120.40 128.17 1c89 s VAL 97 Ca 0.70 -1.81 0.06 0.00 -2.93 0.00 0.00 61.98 58.00 1c89 s VAL 97 Cb -0.07 -2.49 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 1c89 s VAL 97 CO 0.01 0.00 0.01 -0.94 -3.33 0.00 0.00 175.10 170.85 1c89 s SER 98 N -3.21 5.00 0.66 3.54 1.04 -1.26 -3.69 113.70 115.77 1c89 s SER 98 Ca 0.35 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.43 1c89 s SER 98 Cb 0.03 -1.17 -0.01 0.00 0.10 0.00 0.00 66.02 64.96 1c89 s SER 98 CO 0.18 0.14 1.05 -2.16 0.98 0.00 0.00 173.24 173.42 1c89 s PRO 99 N -2.55 3.21 -0.85 4.02 0.04 -1.26 -4.69 135.00 132.92 1c89 s PRO 99 Ca 0.27 0.92 -0.23 0.00 0.04 0.00 0.00 61.00 61.99 1c89 s PRO 99 Cb -0.11 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.47 1c89 s PRO 99 CO 0.19 -0.88 1.24 -1.59 0.04 0.00 0.00 177.00 176.00 1c89 s LYS 100 N -4.95 3.38 0.00 4.56 -2.85 -1.24 -4.90 119.74 113.75 1c89 s LYS 100 Ca 0.58 -0.94 0.00 0.00 -1.00 0.00 0.00 55.97 54.60 1c89 s LYS 100 Cb -0.13 -4.72 0.00 0.00 -2.06 0.00 0.00 37.83 30.92 1c89 s LYS 100 CO 0.52 -2.03 0.00 0.41 0.10 0.00 0.00 175.35 174.35 1c89 n GLY 101 N 5.89 1.16 3.52 0.59 0.00 -1.26 -4.96 105.19 110.12 1c89 n GLY 101 Ca 0.15 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 3.87 0.93 -0.61 1.01 -0.74 -4.98 121.20 120.67 1c89 s ILE 102 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 1c89 s ILE 102 Cb 0.00 -2.68 0.15 0.00 0.01 0.00 0.00 42.46 39.94 1c89 s ILE 102 CO 0.00 0.52 1.13 -2.16 0.00 0.00 0.00 174.94 174.42 1c89 s PRO 103 N 0.12 0.99 -0.23 2.79 0.04 -1.26 -2.47 135.00 134.98 1c89 s PRO 103 Ca -0.01 0.33 -0.02 0.00 0.04 0.00 0.00 61.00 61.34 1c89 s PRO 103 Cb -0.14 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.64 1c89 s PRO 103 CO 0.03 -2.31 2.46 -1.13 0.04 0.00 0.00 177.00 176.09 1c89 n SER 104 N -3.85 6.04 0.02 6.66 3.41 -1.26 -4.26 113.62 120.37 1c89 n SER 104 Ca 0.06 -2.87 -0.14 0.00 -0.26 0.00 0.00 58.87 55.66 1c89 n SER 104 Cb 0.59 -1.17 -0.14 0.00 -0.26 0.00 0.00 64.21 63.22 1c89 n SER 104 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1c89 h GLU 105 N 1.99 0.15 -0.01 4.33 4.11 -1.96 -3.37 114.58 119.82 1c89 h GLU 105 Ca 0.24 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1c89 h GLU 105 Cb 0.98 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1c89 h GLU 105 CO 0.54 0.92 -0.01 0.39 0.07 0.00 0.00 179.01 180.92 1c89 n GLU 106 N -3.31 0.45 -0.30 1.06 1.02 -1.26 -4.59 120.64 113.71 1c89 n GLU 106 Ca -0.19 -1.02 0.25 0.00 -0.02 0.00 0.00 57.16 56.18 1c89 n GLU 106 Cb 1.04 -1.17 0.57 0.00 -0.02 0.00 0.00 31.44 31.87 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1c89 h ILE 107 N 1.79 0.52 -0.84 -3.67 2.10 -1.80 -0.03 117.51 115.57 1c89 h ILE 107 Ca 0.00 -0.10 0.21 0.00 1.08 0.00 0.00 64.86 66.06 1c89 h ILE 107 Cb 0.39 0.21 -0.14 0.00 -1.09 0.00 0.00 36.82 36.19 1c89 h ILE 107 CO 0.00 0.05 0.15 0.28 -1.08 0.00 0.00 178.15 177.55 1c89 h SER 108 N 0.28 -0.14 0.87 2.19 0.02 -1.85 1.20 113.55 116.13 1c89 h SER 108 Ca 0.56 0.20 -0.23 0.00 -0.84 0.00 0.00 61.79 61.48 1c89 h SER 108 Cb 1.64 0.30 -0.03 0.00 0.14 0.00 0.00 62.40 64.45 1c89 h SER 108 CO -0.20 -0.17 -1.17 0.11 -1.14 0.00 0.00 176.83 174.26 1c89 h LYS 109 N 0.17 0.02 -0.59 3.45 1.79 -1.37 -3.24 116.57 116.80 1c89 h LYS 109 Ca 0.51 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1c89 h LYS 109 Cb 0.98 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1c89 h LYS 109 CO -0.67 0.92 0.00 1.28 -1.08 0.00 0.00 179.45 179.90 1c89 n LEU 110 N -3.30 3.17 -4.75 2.94 4.77 0.52 -4.89 117.00 115.45 1c89 n LEU 110 Ca -0.04 -1.60 -0.41 0.00 -0.03 0.00 0.00 56.01 53.93 1c89 n LEU 110 Cb 0.97 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1c89 n LEU 110 CO 0.47 0.56 1.07 -0.69 -1.33 0.00 0.00 177.39 177.47 1c89 s VAL 111 N -1.71 2.65 -2.00 4.08 1.01 0.39 -1.94 120.40 122.88 1c89 s VAL 111 Ca 0.33 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1c89 s VAL 111 Cb 0.21 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1c89 s VAL 111 CO 0.16 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1c89 n GLY 112 N 1.77 1.23 3.78 4.51 0.00 0.70 -4.91 105.19 112.26 1c89 n GLY 112 Ca 0.05 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.07 4.24 0.02 1.61 0.00 -0.82 -3.97 119.30 116.32 1c89 s MET 113 Ca 0.00 1.58 -0.24 0.00 0.00 0.00 0.00 55.69 57.04 1c89 s MET 113 Cb 0.00 -2.67 -0.05 0.00 0.00 0.00 0.00 34.83 32.11 1c89 s MET 113 CO 0.00 -0.09 0.72 -0.65 0.00 0.00 0.00 175.02 175.00 1c89 s GLN 114 N -2.29 4.45 0.51 3.16 -0.21 -1.26 -2.59 119.66 121.43 1c89 s GLN 114 Ca 0.55 0.97 -0.05 0.00 0.02 0.00 0.00 55.36 56.85 1c89 s GLN 114 Cb -0.24 -3.36 -0.02 0.00 1.00 0.00 0.00 33.01 30.38 1c89 s GLN 114 CO 0.31 0.29 0.80 0.14 -2.12 0.00 0.00 175.29 174.70 1c89 s VAL 115 N -0.02 4.47 -1.15 1.09 -7.23 -1.26 -4.74 120.40 111.56 1c89 s VAL 115 Ca 0.37 0.05 0.21 0.00 -1.81 0.00 0.00 61.98 60.79 1c89 s VAL 115 Cb -0.20 -3.71 -0.19 0.00 0.56 0.00 0.00 36.38 32.84 1c89 s VAL 115 CO 0.21 -0.68 0.91 -3.20 -0.31 0.00 0.00 175.10 172.03 1c89 n ASN 116 N -2.32 1.15 -4.46 4.85 2.85 -1.21 -1.05 115.26 115.06 1c89 n ASN 116 Ca 0.02 -1.07 -0.28 0.00 -0.11 0.00 0.00 54.58 53.13 1c89 n ASN 116 Cb 0.56 0.91 -0.08 0.00 1.24 0.00 0.00 39.78 42.41 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1c89 s ARG 117 N -2.87 2.01 0.16 1.20 1.81 -1.26 -4.77 118.95 115.23 1c89 s ARG 117 Ca 0.09 -2.24 -0.23 0.00 -1.72 0.00 0.00 55.73 51.64 1c89 s ARG 117 Cb 0.16 -1.11 -0.08 0.00 -0.45 0.00 0.00 34.95 33.47 1c89 s ARG 117 CO 0.80 -0.36 0.72 0.00 -0.68 0.00 0.00 175.30 175.78 1c89 s ALA 118 N -3.03 3.47 -0.08 2.13 0.00 -1.26 -3.81 121.76 119.19 1c89 s ALA 118 Ca 0.19 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1c89 s ALA 118 Cb 0.03 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 1c89 s ALA 118 CO 0.10 0.32 -0.06 0.08 0.00 0.00 0.00 175.76 176.21 1c89 s VAL 119 N -1.21 3.77 0.00 0.00 1.01 0.15 -4.89 120.40 119.23 1c89 s VAL 119 Ca 0.36 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1c89 s VAL 119 Cb -0.21 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1c89 s VAL 119 CO 0.24 0.59 0.00 -1.22 0.00 0.00 0.00 175.10 174.70 1c89 n TYR 120 N 2.35 -1.62 0.00 5.22 4.01 -1.26 -1.77 117.16 124.09 1c89 n TYR 120 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1c89 n TYR 120 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 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 -4.45 7.72 7.99 -1.25 -3.93 117.00 123.09 1c89 n LEU 121 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 56.01 55.82 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 1.79 -0.67 -1.51 0.00 0.00 177.39 177.00 1c89 n ASP 122 N 0.00 -0.93 -4.42 -1.43 2.03 -0.21 -4.48 116.55 107.11 1c89 n ASP 122 Ca 0.00 -0.86 -0.30 0.00 0.52 0.00 0.00 54.79 54.15 1c89 n ASP 122 Cb 0.00 -0.76 -0.13 0.00 -0.72 0.00 0.00 41.12 39.51 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1c89 s GLN 123 N 7.12 1.85 0.25 -0.67 0.74 -0.60 -4.63 119.66 123.73 1c89 s GLN 123 Ca 1.08 -1.10 -0.30 0.00 0.05 0.00 0.00 55.36 55.09 1c89 s GLN 123 Cb -0.61 -2.07 -0.09 0.00 1.10 0.00 0.00 33.01 31.34 1c89 s GLN 123 CO 0.41 0.51 0.97 0.99 -0.55 0.00 0.00 175.29 177.63 1c89 s THR 124 N -0.94 3.95 0.16 -0.34 2.01 -1.26 0.11 115.64 119.33 1c89 s THR 124 Ca 0.14 1.95 -0.30 0.00 0.31 0.00 0.00 61.69 63.78 1c89 s THR 124 Cb -0.10 -4.23 -0.08 0.00 0.01 0.00 0.00 72.50 68.10 1c89 s THR 124 CO 0.05 0.45 1.29 -0.22 -0.69 0.00 0.00 174.62 175.50 1c89 s LEU 125 N -1.29 4.41 0.06 4.42 2.96 -0.57 -4.85 118.68 123.80 1c89 s LEU 125 Ca 0.42 2.31 0.07 0.00 -0.22 0.00 0.00 54.13 56.71 1c89 s LEU 125 Cb -0.27 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.79 1c89 s LEU 125 CO 0.33 -0.52 -0.19 -0.04 -1.32 0.00 0.00 176.35 174.61 1c89 s MET 126 N 0.28 1.19 0.25 1.98 -1.94 -1.26 -1.80 119.30 118.00 1c89 s MET 126 Ca 0.58 -0.95 0.25 0.00 -1.71 0.00 0.00 55.69 53.86 1c89 s MET 126 Cb -0.35 -1.31 0.92 0.00 2.01 0.00 0.00 34.83 36.10 1c89 s MET 126 CO 0.35 0.32 1.74 -0.35 -0.01 0.00 0.00 175.02 177.08 1c89 n PRO 127 N 1.66 0.23 0.00 2.03 -0.04 -1.26 -2.56 135.00 135.06 1c89 n PRO 127 Ca -0.18 0.35 0.14 0.00 -0.04 0.00 0.00 63.50 63.76 1c89 n PRO 127 Cb 0.54 -1.86 0.51 0.00 -0.04 0.00 0.00 33.50 32.65 1c89 n PRO 127 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1c89 n ASP 128 N -2.28 0.95 0.01 3.54 9.92 -1.26 -3.63 116.55 123.79 1c89 n ASP 128 Ca 0.03 -0.97 0.11 0.00 -0.53 0.00 0.00 54.79 53.43 1c89 n ASP 128 Cb 0.31 0.04 -0.05 0.00 -0.64 0.00 0.00 41.12 40.78 1c89 n ASP 128 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1c89 n MET 129 N -0.53 0.23 -3.45 -1.24 1.56 -1.06 -4.93 117.12 107.71 1c89 n MET 129 Ca 0.15 -0.04 -0.30 0.00 -0.27 0.00 0.00 57.70 57.24 1c89 n MET 129 Cb 0.32 -1.54 -0.04 0.00 2.15 0.00 0.00 33.22 34.11 1c89 n MET 129 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1c89 s VAL 130 N -3.17 5.03 0.00 1.12 1.01 -1.24 -3.32 120.40 119.83 1c89 s VAL 130 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1c89 s VAL 130 Cb 0.15 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1c89 s VAL 130 CO 0.84 -0.16 0.01 0.29 0.00 0.00 0.00 175.10 176.08 1c89 n LYS 131 N -0.46 0.00 -3.04 2.72 5.02 -1.26 -4.50 118.16 116.64 1c89 n LYS 131 Ca -0.01 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.83 1c89 n LYS 131 Cb 0.53 -0.25 -0.01 0.00 -0.02 0.00 0.00 35.03 35.28 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 -1.48 6.98 1.06 4.39 0.01 -1.26 -5.02 114.94 119.62 1c89 s ASN 132 Ca 0.00 -2.83 -0.12 0.00 -0.71 0.00 0.00 52.86 49.19 1c89 s ASN 132 Cb 0.00 -2.35 0.23 0.00 0.41 0.00 0.00 41.25 39.53 1c89 s ASN 132 CO 0.00 -0.73 1.07 -0.47 -1.51 0.00 0.00 177.10 175.45 1c89 s TYR 133 N 1.26 1.75 -2.81 2.20 5.04 -1.26 -5.20 117.35 118.32 1c89 s TYR 133 Ca 0.36 1.15 0.26 0.00 -2.44 0.00 0.00 57.07 56.40 1c89 s TYR 133 Cb -0.05 -3.18 0.51 0.00 0.35 0.00 0.00 41.96 39.59 1c89 s TYR 133 CO -0.04 -3.30 1.44 0.39 -1.34 0.00 0.00 175.55 172.70