#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 0.50 0.26 1.20 -2.85 -1.26 -4.98 119.74 112.61 1c89 s LYS 2 Ca 0.00 -0.44 -0.30 0.00 -1.00 0.00 0.00 55.97 54.24 1c89 s LYS 2 Cb 0.00 -1.83 -0.09 0.00 -2.06 0.00 0.00 37.83 33.84 1c89 s LYS 2 CO 0.00 -2.50 1.02 0.00 0.10 0.00 0.00 175.35 173.97 1c89 s ALA 3 N -3.89 3.37 0.35 0.59 0.00 -1.26 -4.65 121.76 116.27 1c89 s ALA 3 Ca 0.75 0.77 0.07 0.00 0.00 0.00 0.00 51.96 53.55 1c89 s ALA 3 Cb -0.03 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1c89 s ALA 3 CO 0.53 0.02 0.34 -1.12 0.00 0.00 0.00 175.76 175.53 1c89 s SER 4 N -1.02 5.35 -0.80 0.00 0.01 -0.32 -4.31 113.70 112.60 1c89 s SER 4 Ca 0.43 -0.49 -0.25 0.00 1.31 0.00 0.00 55.95 56.94 1c89 s SER 4 Cb -0.29 -0.93 0.01 0.00 0.21 0.00 0.00 66.02 65.02 1c89 s SER 4 CO 0.37 -0.43 1.60 -0.69 0.41 0.00 0.00 173.24 174.50 1c89 s VAL 5 N -2.32 3.62 -0.28 3.43 1.01 -1.02 -2.01 120.40 122.84 1c89 s VAL 5 Ca 0.43 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 1c89 s VAL 5 Cb -0.06 -4.52 0.02 0.00 0.00 0.00 0.00 36.38 31.82 1c89 s VAL 5 CO 0.28 -1.46 0.01 -0.69 0.00 0.00 0.00 175.10 173.24 1c89 s VAL 6 N 7.26 3.43 0.18 2.92 1.01 0.17 -1.28 120.40 134.08 1c89 s VAL 6 Ca 0.53 -0.89 -0.32 0.00 0.00 0.00 0.00 61.98 61.29 1c89 s VAL 6 Cb -0.07 -2.77 -0.12 0.00 0.00 0.00 0.00 36.38 33.42 1c89 s VAL 6 CO 0.08 0.11 1.73 0.00 0.00 0.00 0.00 175.10 177.02 1c89 n ALA 7 N 4.76 2.42 0.10 5.51 0.00 -0.66 -2.55 120.51 130.09 1c89 n ALA 7 Ca -0.15 0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.47 1c89 n ALA 7 Cb 0.47 -2.51 -0.15 0.00 0.00 0.00 0.00 19.45 17.26 1c89 n ALA 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1c89 h ASN 8 N 7.04 0.60 -2.26 0.00 -0.73 -1.87 0.79 115.58 119.15 1c89 h ASN 8 Ca -0.44 -0.76 -0.46 0.00 1.87 0.00 0.00 56.30 56.51 1c89 h ASN 8 Cb 1.22 -0.19 0.08 0.00 0.27 0.00 0.00 38.32 39.69 1c89 h ASN 8 CO 0.94 1.62 0.09 0.00 -0.37 0.00 0.00 177.43 179.71 1c89 s GLN 9 N -2.60 1.83 -0.13 6.67 -2.07 -1.26 -3.37 119.66 118.72 1c89 s GLN 9 Ca -0.11 -1.03 -0.20 0.00 -1.82 0.00 0.00 55.36 52.20 1c89 s GLN 9 Cb 0.06 -2.35 -0.03 0.00 -1.09 0.00 0.00 33.01 29.59 1c89 s GLN 9 CO 0.88 -1.33 0.59 -1.17 -1.32 0.00 0.00 175.29 172.94 1c89 s LEU 10 N -5.09 4.24 -0.08 2.60 0.20 -1.26 -4.17 118.68 115.13 1c89 s LEU 10 Ca 0.65 0.92 0.04 0.00 0.69 0.00 0.00 54.13 56.43 1c89 s LEU 10 Cb -0.06 -2.86 -0.01 0.00 -0.43 0.00 0.00 46.19 42.82 1c89 s LEU 10 CO 0.43 -0.12 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.53 1c89 s ILE 11 N 1.11 2.43 0.00 6.68 1.01 0.31 -4.96 121.20 127.78 1c89 s ILE 11 Ca 0.30 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1c89 s ILE 11 Cb -0.16 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.38 1c89 s ILE 11 CO 0.12 0.56 0.00 -0.81 0.00 0.00 0.00 174.94 174.82 1c89 n PRO 12 N 3.02 0.73 -2.10 2.79 -0.04 -1.26 0.26 135.00 138.40 1c89 n PRO 12 Ca -0.18 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.01 1c89 n PRO 12 Cb 0.52 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.05 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 -0.18 2.36 -0.93 0.52 1.09 -1.24 -3.51 121.20 119.30 1c89 s ILE 13 Ca 0.00 -0.12 -0.22 0.00 -1.10 0.00 0.00 60.65 59.21 1c89 s ILE 13 Cb 0.00 -3.06 0.03 0.00 -1.06 0.00 0.00 42.46 38.37 1c89 s ILE 13 CO 0.00 -0.07 0.55 -0.46 -0.10 0.00 0.00 174.94 174.85 1c89 n ASN 14 N -3.03 -3.53 -3.89 3.58 0.23 0.27 -4.81 115.26 104.08 1c89 n ASN 14 Ca 0.08 -1.02 -0.28 0.00 -0.53 0.00 0.00 54.58 52.82 1c89 n ASN 14 Cb 0.60 -1.31 -0.16 0.00 -2.08 0.00 0.00 39.78 36.83 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 -3.54 1.14 -0.42 5.53 2.01 -1.26 -4.75 115.64 114.35 1c89 s THR 15 Ca 0.31 -0.72 -0.27 0.00 0.31 0.00 0.00 61.69 61.31 1c89 s THR 15 Cb -0.17 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1c89 s THR 15 CO 0.79 0.07 2.06 0.00 -0.69 0.00 0.00 174.62 176.85 1c89 s ALA 16 N 1.61 2.33 0.54 7.40 0.00 -1.25 -4.12 121.76 128.26 1c89 s ALA 16 Ca -0.00 0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.82 1c89 s ALA 16 Cb -0.16 -4.19 -0.07 0.00 0.00 0.00 0.00 23.12 18.70 1c89 s ALA 16 CO -0.07 -3.48 0.88 1.28 0.00 0.00 0.00 175.76 174.37 1c89 n LEU 17 N 12.70 2.70 -4.71 0.00 4.77 -1.08 -4.37 117.00 127.02 1c89 n LEU 17 Ca 0.27 0.86 -0.31 0.00 -0.03 0.00 0.00 56.01 56.80 1c89 n LEU 17 Cb 0.50 -1.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.18 1c89 n LEU 17 CO 0.69 -2.01 -0.26 0.42 -1.33 0.00 0.00 177.39 174.91 1c89 s THR 18 N -1.49 1.25 0.23 -5.08 -4.23 -1.26 0.25 115.64 105.31 1c89 s THR 18 Ca 0.70 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.15 1c89 s THR 18 Cb -0.47 -2.32 0.17 0.00 1.34 0.00 0.00 72.50 71.22 1c89 s THR 18 CO 0.52 0.00 1.80 -0.07 -0.54 0.00 0.00 174.62 176.33 1c89 h LEU 19 N 1.47 1.07 -0.46 4.79 -0.00 -1.95 -1.24 115.31 119.00 1c89 h LEU 19 Ca -0.43 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.88 57.27 1c89 h LEU 19 Cb 1.30 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.66 1c89 h LEU 19 CO 0.74 0.94 0.20 0.40 -0.00 0.00 0.00 178.44 180.71 1c89 h ILE 20 N 1.14 1.20 -0.05 1.22 5.03 -2.02 -1.58 117.51 122.45 1c89 h ILE 20 Ca 0.27 -0.59 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 1c89 h ILE 20 Cb 0.19 0.74 0.00 0.00 -3.03 0.00 0.00 36.82 34.72 1c89 h ILE 20 CO -0.02 0.22 0.00 0.23 -0.68 0.00 0.00 178.15 177.90 1c89 n MET 21 N -4.61 1.15 -3.53 2.37 2.81 -1.06 -4.62 117.12 109.63 1c89 n MET 21 Ca 0.01 -0.23 -0.42 0.00 -1.81 0.00 0.00 57.70 55.25 1c89 n MET 21 Cb 0.14 -1.23 -0.08 0.00 -0.71 0.00 0.00 33.22 31.34 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 -1.94 2.62 -0.24 0.03 0.00 -0.49 -3.72 119.30 115.56 1c89 s MET 22 Ca 0.21 -1.63 -0.04 0.00 0.00 0.00 0.00 55.69 54.23 1c89 s MET 22 Cb 0.10 -3.94 -0.00 0.00 0.00 0.00 0.00 34.83 30.99 1c89 s MET 22 CO 0.16 -1.12 -0.01 0.15 0.00 0.00 0.00 175.02 174.20 1c89 s LYS 23 N 1.43 3.31 -1.28 4.11 1.02 -1.06 -4.92 119.74 122.35 1c89 s LYS 23 Ca 0.04 -0.68 -0.15 0.00 0.02 0.00 0.00 55.97 55.21 1c89 s LYS 23 Cb -0.25 -3.10 0.12 0.00 -0.52 0.00 0.00 37.83 34.07 1c89 s LYS 23 CO 0.01 -0.26 1.70 0.00 -0.92 0.00 0.00 175.35 175.88 1c89 n ALA 24 N 4.81 4.17 -2.83 5.17 0.00 -1.25 0.44 120.51 131.01 1c89 n ALA 24 Ca -0.17 -4.08 -0.32 0.00 0.00 0.00 0.00 53.44 48.88 1c89 n ALA 24 Cb 0.50 -3.29 -0.06 0.00 0.00 0.00 0.00 19.45 16.60 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 2.51 3.16 -1.37 0.00 2.12 -0.85 -4.55 118.70 119.72 1c89 s GLU 25 Ca 0.47 -0.52 -0.08 0.00 0.36 0.00 0.00 54.97 55.19 1c89 s GLU 25 Cb 0.03 -2.90 0.10 0.00 0.26 0.00 0.00 34.13 31.62 1c89 s GLU 25 CO 0.02 0.61 2.28 0.28 -0.54 0.00 0.00 175.26 177.92 1c89 n VAL 26 N 0.66 4.60 -4.35 3.70 0.31 -1.26 -1.17 118.33 120.81 1c89 n VAL 26 Ca -0.09 -3.94 -0.18 0.00 -0.01 0.00 0.00 64.34 60.12 1c89 n VAL 26 Cb 0.52 -2.31 -0.10 0.00 -0.91 0.00 0.00 33.84 31.03 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 0.35 0.92 0.40 2.52 -7.23 -1.26 -4.98 120.40 111.12 1c89 s VAL 27 Ca 0.51 -2.01 0.08 0.00 -1.81 0.00 0.00 61.98 58.74 1c89 s VAL 27 Cb 0.15 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.56 1c89 s VAL 27 CO -0.05 -0.15 0.55 0.42 -0.31 0.00 0.00 175.10 175.55 1c89 s THR 28 N -3.50 3.18 0.61 5.32 -4.23 -1.26 -4.33 115.64 111.43 1c89 s THR 28 Ca 0.33 -1.01 -0.15 0.00 -1.18 0.00 0.00 61.69 59.68 1c89 s THR 28 Cb 0.07 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 1c89 s THR 28 CO 0.12 -0.03 1.07 -2.16 -0.54 0.00 0.00 174.62 173.08 1c89 s PRO 29 N -4.31 3.22 0.12 3.99 0.04 -1.26 -4.91 135.00 131.88 1c89 s PRO 29 Ca 0.53 1.23 -0.02 0.00 0.04 0.00 0.00 61.00 62.78 1c89 s PRO 29 Cb -0.10 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.45 1c89 s PRO 29 CO 0.33 -0.89 0.11 0.00 0.04 0.00 0.00 177.00 176.58 1c89 n MET 30 N -2.12 -1.07 0.00 4.56 0.00 -1.26 -4.58 117.12 112.65 1c89 n MET 30 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 57.70 57.61 1c89 n MET 30 Cb 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 33.22 33.59 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 2.09 -0.33 3.82 3.17 0.00 -1.26 -4.68 105.19 108.01 1c89 n GLY 31 Ca 0.02 0.37 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 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 5.19 1.10 -0.61 1.01 -0.08 -4.98 121.20 122.83 1c89 s ILE 32 Ca 0.00 0.66 -0.18 0.00 0.00 0.00 0.00 60.65 61.13 1c89 s ILE 32 Cb 0.00 -3.64 0.25 0.00 0.01 0.00 0.00 42.46 39.08 1c89 s ILE 32 CO 0.00 0.54 1.19 -2.16 0.00 0.00 0.00 174.94 174.51 1c89 s PRO 33 N -0.72 -0.44 0.00 2.79 0.04 -1.26 -2.43 135.00 132.98 1c89 s PRO 33 Ca 0.21 -0.16 0.17 0.00 0.04 0.00 0.00 61.00 61.25 1c89 s PRO 33 Cb -0.15 -1.70 0.48 0.00 0.04 0.00 0.00 34.50 33.17 1c89 s PRO 33 CO 0.10 -3.18 1.39 0.00 0.04 0.00 0.00 177.00 175.35 1c89 n ALA 34 N -4.36 2.43 0.11 8.56 0.00 -1.26 -4.49 120.51 121.50 1c89 n ALA 34 Ca 0.13 -0.86 -0.05 0.00 0.00 0.00 0.00 53.44 52.66 1c89 n ALA 34 Cb 0.59 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1c89 n ALA 34 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1c89 h GLU 35 N 3.02 -0.30 -2.02 0.00 4.39 -1.94 -2.86 114.58 114.87 1c89 h GLU 35 Ca 0.00 0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.54 1c89 h GLU 35 Cb 0.69 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.34 1c89 h GLU 35 CO 0.00 -0.20 -0.37 0.39 -1.16 0.00 0.00 179.01 177.67 1c89 n GLU 36 N -2.99 1.95 0.13 2.33 4.71 -1.26 -4.47 120.64 121.03 1c89 n GLU 36 Ca -0.04 -0.97 -0.01 0.00 -0.01 0.00 0.00 57.16 56.14 1c89 n GLU 36 Cb 0.13 -1.98 0.24 0.00 -1.01 0.00 0.00 31.44 28.82 1c89 n GLU 36 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1c89 h ILE 37 N 2.01 1.33 0.00 -3.67 6.09 -1.80 0.33 117.51 121.80 1c89 h ILE 37 Ca 0.18 -1.61 0.00 0.00 -1.37 0.00 0.00 64.86 62.07 1c89 h ILE 37 Cb 1.48 1.80 0.00 0.00 0.47 0.00 0.00 36.82 40.57 1c89 h ILE 37 CO 0.23 0.47 0.00 -0.81 -3.07 0.00 0.00 178.15 174.97 1c89 n PRO 38 N -3.99 0.06 -0.10 2.19 -0.04 -1.26 -1.44 135.00 130.42 1c89 n PRO 38 Ca -0.02 0.14 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 1c89 n PRO 38 Cb 0.50 -1.58 -0.09 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 -1.69 2.41 -0.02 3.54 3.02 -0.97 -4.46 115.26 117.08 1c89 n ASN 39 Ca 0.05 -0.09 0.13 0.00 -0.03 0.00 0.00 54.58 54.65 1c89 n ASN 39 Cb 0.30 -0.33 0.49 0.00 -0.61 0.00 0.00 39.78 39.63 1c89 n ASN 39 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1c89 n LEU 40 N -3.12 0.27 -4.73 3.41 4.77 0.07 -4.82 117.00 112.84 1c89 n LEU 40 Ca -0.36 0.23 -0.35 0.00 -0.03 0.00 0.00 56.01 55.50 1c89 n LEU 40 Cb 0.87 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 41.69 1c89 n LEU 40 CO 0.19 0.06 0.84 -0.69 -1.33 0.00 0.00 177.39 176.46 1c89 s VAL 41 N -2.89 2.34 -0.41 4.08 1.01 -0.52 -1.86 120.40 122.14 1c89 s VAL 41 Ca 0.16 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1c89 s VAL 41 Cb 0.19 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1c89 s VAL 41 CO 0.58 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1c89 n GLY 42 N 0.53 0.40 3.71 4.51 0.00 0.71 -4.81 105.19 110.23 1c89 n GLY 42 Ca 0.14 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.24 4.33 0.36 1.61 0.00 -0.78 -4.07 119.30 118.52 1c89 s MET 43 Ca 0.00 1.99 -0.18 0.00 0.00 0.00 0.00 55.69 57.50 1c89 s MET 43 Cb 0.00 -3.35 -0.10 0.00 0.00 0.00 0.00 34.83 31.38 1c89 s MET 43 CO 0.00 -0.43 0.83 -0.65 0.00 0.00 0.00 175.02 174.77 1c89 s GLN 44 N 1.41 4.12 0.43 3.16 -0.21 -1.26 -2.62 119.66 124.69 1c89 s GLN 44 Ca 0.63 0.88 0.08 0.00 0.02 0.00 0.00 55.36 56.97 1c89 s GLN 44 Cb -0.34 -2.36 -0.01 0.00 1.00 0.00 0.00 33.01 31.30 1c89 s GLN 44 CO 0.29 0.10 0.40 0.14 -2.12 0.00 0.00 175.29 174.10 1c89 s VAL 45 N -2.03 2.57 -0.05 1.09 -7.23 -1.26 -4.78 120.40 108.71 1c89 s VAL 45 Ca 0.57 -1.33 0.21 0.00 -1.81 0.00 0.00 61.98 59.61 1c89 s VAL 45 Cb -0.10 -2.90 -0.32 0.00 0.56 0.00 0.00 36.38 33.62 1c89 s VAL 45 CO 0.16 0.00 0.46 -3.20 -0.31 0.00 0.00 175.10 172.21 1c89 n ASN 46 N -1.60 0.29 -4.55 4.85 4.05 -0.80 -0.56 115.26 116.94 1c89 n ASN 46 Ca 0.04 -0.02 -0.31 0.00 0.45 0.00 0.00 54.58 54.74 1c89 n ASN 46 Cb 0.62 1.92 -0.08 0.00 1.23 0.00 0.00 39.78 43.47 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1c89 s ARG 47 N -3.42 2.11 0.37 1.20 0.52 -1.26 -4.69 118.95 113.78 1c89 s ARG 47 Ca -0.07 -2.33 -0.25 0.00 -0.52 0.00 0.00 55.73 52.56 1c89 s ARG 47 Cb 0.13 -1.24 -0.09 0.00 0.52 0.00 0.00 34.95 34.27 1c89 s ARG 47 CO 0.86 -0.39 1.04 0.00 0.02 0.00 0.00 175.30 176.82 1c89 s ALA 48 N -2.98 3.14 -0.25 2.13 0.00 -1.26 -3.72 121.76 118.82 1c89 s ALA 48 Ca 0.12 0.69 -0.02 0.00 0.00 0.00 0.00 51.96 52.76 1c89 s ALA 48 Cb 0.02 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.90 1c89 s ALA 48 CO 0.07 -0.15 -0.06 0.08 0.00 0.00 0.00 175.76 175.70 1c89 s VAL 49 N -1.60 2.90 0.29 0.00 1.01 0.73 -4.89 120.40 118.83 1c89 s VAL 49 Ca 0.55 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1c89 s VAL 49 Cb -0.22 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.76 1c89 s VAL 49 CO 0.28 0.21 0.29 -0.81 0.00 0.00 0.00 175.10 175.08 1c89 n PRO 50 N 4.68 -1.20 -2.01 2.72 -0.04 -1.26 0.11 135.00 138.00 1c89 n PRO 50 Ca -0.17 -0.46 -0.32 0.00 -0.04 0.00 0.00 63.50 62.51 1c89 n PRO 50 Cb 0.47 -0.39 0.01 0.00 -0.04 0.00 0.00 33.50 33.55 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 3.46 -1.11 1.53 1.02 -1.26 -3.27 118.68 119.05 1c89 s LEU 51 Ca 0.18 1.77 -0.03 0.00 0.02 0.00 0.00 54.13 56.07 1c89 s LEU 51 Cb -0.01 -4.53 0.02 0.00 0.02 0.00 0.00 46.19 41.69 1c89 s LEU 51 CO 0.14 -1.15 0.15 0.61 0.02 0.00 0.00 176.35 176.12 1c89 n GLY 52 N -1.17 -0.50 3.61 -3.19 0.00 0.27 -4.86 105.19 99.35 1c89 n GLY 52 Ca 0.08 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.71 4.26 0.90 2.61 2.01 -0.96 -4.68 115.64 117.08 1c89 s THR 53 Ca 0.11 1.32 -0.10 0.00 0.31 0.00 0.00 61.69 63.33 1c89 s THR 53 Cb -0.06 -4.57 0.14 0.00 0.01 0.00 0.00 72.50 68.02 1c89 s THR 53 CO 0.14 -0.91 1.12 0.28 -0.69 0.00 0.00 174.62 174.56 1c89 s THR 54 N 4.32 2.40 -0.61 -0.82 -1.32 -1.26 -1.65 115.64 116.70 1c89 s THR 54 Ca 0.48 0.13 -0.27 0.00 -1.21 0.00 0.00 61.69 60.82 1c89 s THR 54 Cb -0.08 -2.29 0.00 0.00 -1.51 0.00 0.00 72.50 68.62 1c89 s THR 54 CO 0.29 -0.17 1.59 -0.22 -2.21 0.00 0.00 174.62 173.90 1c89 s LEU 55 N -6.47 3.31 -0.22 9.08 1.98 -0.40 -4.85 118.68 121.10 1c89 s LEU 55 Ca 0.65 0.20 -0.08 0.00 -2.89 0.00 0.00 54.13 52.01 1c89 s LEU 55 Cb -0.21 -2.75 -0.04 0.00 0.66 0.00 0.00 46.19 43.84 1c89 s LEU 55 CO 0.58 -2.01 0.10 -0.32 -1.89 0.00 0.00 176.35 172.80 1c89 s MET 56 N 6.20 3.90 0.50 1.98 -2.45 -1.26 -0.90 119.30 127.27 1c89 s MET 56 Ca 0.56 -0.37 0.30 0.00 -1.25 0.00 0.00 55.69 54.93 1c89 s MET 56 Cb -0.12 -3.36 0.99 0.00 1.25 0.00 0.00 34.83 33.59 1c89 s MET 56 CO 0.21 0.05 1.84 -1.00 1.05 0.00 0.00 175.02 177.18 1c89 h PRO 57 N 7.48 0.00 0.00 4.11 0.13 -1.93 -2.97 132.00 138.82 1c89 h PRO 57 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1c89 h PRO 57 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1c89 h PRO 57 CO 0.64 0.00 0.00 0.22 -0.23 0.00 0.00 178.00 178.63 1c89 h ASP 58 N 0.00 0.00 0.00 1.44 1.82 -1.95 -2.46 116.42 115.27 1c89 h ASP 58 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1c89 h ASP 58 Cb 0.68 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.69 1c89 h ASP 58 CO 0.00 0.00 -0.83 0.23 -1.61 0.00 0.00 179.24 177.03 1c89 n MET 59 N -2.95 1.22 -4.01 0.28 2.81 -1.12 -4.85 117.12 108.49 1c89 n MET 59 Ca -0.00 -0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.56 1c89 n MET 59 Cb 0.24 -1.33 -0.15 0.00 -0.71 0.00 0.00 33.22 31.28 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 -2.65 2.51 0.00 2.03 1.01 -0.92 -1.90 120.40 120.47 1c89 s VAL 60 Ca 0.07 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1c89 s VAL 60 Cb 0.13 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1c89 s VAL 60 CO 0.72 0.01 0.00 2.29 0.00 0.00 0.00 175.10 178.12 1c89 n LYS 61 N 4.53 0.00 -2.70 2.72 0.00 -1.26 -4.24 118.16 117.21 1c89 n LYS 61 Ca -0.14 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.74 1c89 n LYS 61 Cb 0.44 -0.03 -0.03 0.00 -0.00 0.00 0.00 35.03 35.40 1c89 n LYS 61 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1c89 s ASN 62 N -2.50 6.28 0.00 -5.58 2.47 -1.26 -4.79 114.94 109.56 1c89 s ASN 62 Ca 0.00 -0.40 0.00 0.00 0.42 0.00 0.00 52.86 52.88 1c89 s ASN 62 Cb 0.00 -2.49 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 1c89 s ASN 62 CO 0.00 -1.50 0.15 -1.22 -3.72 0.00 0.00 177.10 170.81 1c89 n TYR 63 N 8.27 0.00 -4.38 0.43 4.01 -1.26 -4.90 117.16 119.33 1c89 n TYR 63 Ca 0.03 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.56 1c89 n TYR 63 Cb 0.48 -0.20 -0.09 0.00 -0.31 0.00 0.00 39.34 39.22 1c89 n TYR 63 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1c89 s GLU 64 N -0.69 1.66 -0.22 -0.72 -1.05 -1.26 -4.76 118.70 111.66 1c89 s GLU 64 Ca 0.00 -1.96 -0.04 0.00 -0.15 0.00 0.00 54.97 52.82 1c89 s GLU 64 Cb 0.00 -0.30 -0.07 0.00 -0.44 0.00 0.00 34.13 33.32 1c89 s GLU 64 CO 0.00 -0.42 3.03 -0.40 0.95 0.00 0.00 175.26 178.42 1c89 n ASP 65 N -0.96 5.89 -2.30 0.83 5.75 -1.26 -4.39 116.55 120.11 1c89 n ASP 65 Ca -0.01 -2.84 -0.23 0.00 -0.01 0.00 0.00 54.79 51.70 1c89 n ASP 65 Cb 0.65 -1.29 0.01 0.00 -1.03 0.00 0.00 41.12 39.46 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 1.55 5.75 3.91 6.12 0.00 -1.26 -5.06 105.19 116.20 1c89 n GLY 66 Ca 0.42 -2.57 -0.28 0.00 0.00 0.00 0.00 46.02 43.60 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 -4.92 3.56 0.00 2.61 -4.23 -1.26 -5.08 115.64 106.33 1c89 s THR 67 Ca 0.47 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1c89 s THR 67 Cb 0.40 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1c89 s THR 67 CO -0.07 -0.50 0.00 0.35 -0.54 0.00 0.00 174.62 173.86 1c89 n THR 68 N -2.72 0.00 -1.76 3.99 -2.24 -1.26 -4.90 114.28 105.39 1c89 n THR 68 Ca 0.05 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.48 1c89 n THR 68 Cb 0.58 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.86 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1c89 s SER 69 N -1.61 4.77 0.00 3.42 0.01 -1.26 -4.92 113.70 114.11 1c89 s SER 69 Ca 0.00 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.62 1c89 s SER 69 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1c89 s SER 69 CO 0.00 -1.87 0.00 -0.81 0.41 0.00 0.00 173.24 170.97 1c89 n PRO 70 N -2.10 0.00 0.00 12.44 -0.04 -1.26 -4.73 135.00 139.31 1c89 n PRO 70 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1c89 n PRO 70 Cb 0.50 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 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 2.26 0.27 2.39 0.55 0.00 -1.26 -3.54 105.19 105.86 1c89 n GLY 71 Ca 0.00 0.75 -0.27 0.00 0.00 0.00 0.00 46.02 46.50 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 6.66 -4.63 0.99 4.77 -1.26 -4.93 117.00 118.61 1c89 n LEU 72 Ca 0.00 -4.08 -0.43 0.00 -0.03 0.00 0.00 56.01 51.47 1c89 n LEU 72 Cb 0.00 -1.31 -0.03 0.00 -2.33 0.00 0.00 43.42 39.76 1c89 n LEU 72 CO 0.00 1.81 0.88 -1.59 -1.33 0.00 0.00 177.39 177.15 1c89 s LYS 73 N -0.95 3.99 0.15 3.23 -2.85 -1.23 -4.18 119.74 117.89 1c89 s LYS 73 Ca 0.60 0.88 -0.02 0.00 -1.00 0.00 0.00 55.97 56.43 1c89 s LYS 73 Cb 0.33 -3.76 -0.05 0.00 -2.06 0.00 0.00 37.83 32.29 1c89 s LYS 73 CO -0.15 -0.91 0.35 -1.54 0.10 0.00 0.00 175.35 173.19 1c89 s SER 74 N 1.74 6.42 -0.13 0.03 1.04 -0.20 -3.95 113.70 118.65 1c89 s SER 74 Ca 0.42 0.45 -0.29 0.00 0.48 0.00 0.00 55.95 57.01 1c89 s SER 74 Cb -0.12 -2.03 -0.03 0.00 0.10 0.00 0.00 66.02 63.94 1c89 s SER 74 CO 0.17 0.04 1.36 -0.69 0.98 0.00 0.00 173.24 175.10 1c89 s VAL 75 N -1.71 4.08 0.06 5.02 1.01 -0.84 -1.08 120.40 126.94 1c89 s VAL 75 Ca 0.39 1.32 0.08 0.00 0.00 0.00 0.00 61.98 63.76 1c89 s VAL 75 Cb -0.12 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1c89 s VAL 75 CO 0.27 -0.11 -0.18 -0.69 0.00 0.00 0.00 175.10 174.39 1c89 s VAL 76 N 3.53 2.81 -0.61 2.92 1.01 0.60 -0.91 120.40 129.76 1c89 s VAL 76 Ca 0.60 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 1c89 s VAL 76 Cb -0.25 -2.21 0.05 0.00 0.00 0.00 0.00 36.38 33.96 1c89 s VAL 76 CO 0.19 0.27 1.01 0.00 0.00 0.00 0.00 175.10 176.58 1c89 s ALA 77 N -0.98 3.08 0.24 5.51 0.00 -0.04 0.18 121.76 129.75 1c89 s ALA 77 Ca 0.16 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 1c89 s ALA 77 Cb -0.11 -3.86 0.31 0.00 0.00 0.00 0.00 23.12 19.46 1c89 s ALA 77 CO 0.07 -2.64 1.87 -2.95 0.00 0.00 0.00 175.76 172.11 1c89 h ASN 78 N 9.50 0.93 -3.72 0.00 -1.07 -1.73 -0.81 115.58 118.68 1c89 h ASN 78 Ca -0.27 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.03 1c89 h ASN 78 Cb 1.07 -0.20 -0.01 0.00 -2.07 0.00 0.00 38.32 37.12 1c89 h ASN 78 CO 1.15 0.61 -0.04 0.00 0.07 0.00 0.00 177.43 179.23 1c89 n GLN 79 N -4.56 1.45 -3.69 4.14 6.02 -1.26 -3.45 117.38 116.03 1c89 n GLN 79 Ca 0.12 -0.41 -0.29 0.00 -0.01 0.00 0.00 57.00 56.42 1c89 n GLN 79 Cb 0.13 0.05 -0.04 0.00 1.02 0.00 0.00 30.24 31.41 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1c89 s LEU 80 N 0.00 4.24 -0.17 1.08 0.20 -1.26 -3.79 118.68 118.98 1c89 s LEU 80 Ca 0.03 0.45 -0.01 0.00 0.69 0.00 0.00 54.13 55.28 1c89 s LEU 80 Cb -0.00 -3.20 -0.01 0.00 -0.43 0.00 0.00 46.19 42.55 1c89 s LEU 80 CO 0.02 -0.01 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.33 1c89 s ILE 81 N -1.80 3.04 -0.02 6.68 1.01 0.21 -4.93 121.20 125.38 1c89 s ILE 81 Ca 0.39 -0.64 -0.00 0.00 0.00 0.00 0.00 60.65 60.40 1c89 s ILE 81 Cb -0.11 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1c89 s ILE 81 CO 0.28 0.49 2.00 -0.81 0.00 0.00 0.00 174.94 176.90 1c89 n PRO 82 N 4.12 1.05 -1.71 2.79 -0.04 -1.26 -2.58 135.00 137.37 1c89 n PRO 82 Ca -0.19 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1c89 n PRO 82 Cb 0.52 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 1c89 n PRO 82 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1c89 n ILE 83 N 1.43 -5.02 -3.46 0.52 -0.00 -1.25 -4.80 119.36 106.78 1c89 n ILE 83 Ca 0.02 2.34 -0.18 0.00 -0.00 0.00 0.00 62.75 64.93 1c89 n ILE 83 Cb 0.51 -3.34 0.01 0.00 -0.00 0.00 0.00 39.64 36.81 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 -1.35 -6.06 -3.47 4.38 3.02 0.22 -4.95 115.26 107.04 1c89 n ASN 84 Ca 0.00 -0.46 -0.23 0.00 -0.03 0.00 0.00 54.58 53.86 1c89 n ASN 84 Cb 0.13 -3.04 -0.12 0.00 -0.61 0.00 0.00 39.78 36.14 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c89 s THR 85 N -2.74 -0.23 -0.84 3.41 2.01 -1.26 -4.84 115.64 111.15 1c89 s THR 85 Ca 0.08 -0.61 -0.19 0.00 0.31 0.00 0.00 61.69 61.28 1c89 s THR 85 Cb -0.01 -0.97 -0.21 0.00 0.01 0.00 0.00 72.50 71.32 1c89 s THR 85 CO 0.84 -0.59 2.22 0.00 -0.69 0.00 0.00 174.62 176.39 1c89 n ALA 86 N 5.28 0.60 -2.48 7.40 0.00 -1.25 -4.26 120.51 125.80 1c89 n ALA 86 Ca -0.04 -1.26 -0.32 0.00 0.00 0.00 0.00 53.44 51.82 1c89 n ALA 86 Cb 0.44 -2.83 -0.05 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 9.30 4.19 0.00 0.00 2.34 -1.04 -4.66 118.68 128.80 1c89 s LEU 87 Ca 0.99 0.84 0.00 0.00 0.06 0.00 0.00 54.13 56.03 1c89 s LEU 87 Cb -0.35 -3.59 0.00 0.00 -0.56 0.00 0.00 46.19 41.68 1c89 s LEU 87 CO 0.25 -0.04 0.00 0.35 -1.06 0.00 0.00 176.35 175.85 1c89 n THR 88 N -0.07 0.00 -0.13 5.48 -2.24 -1.26 0.15 114.28 116.20 1c89 n THR 88 Ca -0.00 0.00 0.28 0.00 -2.27 0.00 0.00 64.05 62.05 1c89 n THR 88 Cb 0.52 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.97 3.22 -0.00 -1.95 0.71 115.31 118.25 1c89 h LEU 89 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 1c89 h LEU 89 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1c89 h LEU 89 CO 0.00 0.00 -0.47 0.58 -0.00 0.00 0.00 178.44 178.55 1c89 h VAL 90 N 0.00 0.00 0.00 0.15 2.07 -2.01 -2.85 116.25 113.61 1c89 h VAL 90 Ca 0.40 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.87 1c89 h VAL 90 Cb 2.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1c89 h VAL 90 CO -0.00 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.82 1c89 n MET 91 N -5.64 0.11 -3.92 1.57 2.81 -0.43 -4.71 117.12 106.92 1c89 n MET 91 Ca -0.16 0.15 -0.35 0.00 -1.81 0.00 0.00 57.70 55.53 1c89 n MET 91 Cb 0.51 -1.64 -0.09 0.00 -0.71 0.00 0.00 33.22 31.29 1c89 n MET 91 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1c89 s MET 92 N -3.07 4.05 -0.24 0.03 1.00 0.11 -2.56 119.30 118.61 1c89 s MET 92 Ca 0.11 -0.30 0.02 0.00 0.00 0.00 0.00 55.69 55.51 1c89 s MET 92 Cb 0.15 -3.28 0.06 0.00 0.00 0.00 0.00 34.83 31.76 1c89 s MET 92 CO 0.51 0.28 -0.07 0.15 0.00 0.00 0.00 175.02 175.89 1c89 s LYS 93 N 0.36 1.86 -0.74 2.03 1.02 0.48 -4.62 119.74 120.13 1c89 s LYS 93 Ca 0.05 -1.13 -0.24 0.00 0.02 0.00 0.00 55.97 54.67 1c89 s LYS 93 Cb -0.12 -2.71 0.06 0.00 -0.52 0.00 0.00 37.83 34.55 1c89 s LYS 93 CO -0.01 -0.59 1.11 0.00 -0.92 0.00 0.00 175.35 174.94 1c89 s ALA 94 N 1.28 3.00 0.19 5.17 0.00 -1.26 0.22 121.76 130.37 1c89 s ALA 94 Ca -0.07 -1.83 0.10 0.00 0.00 0.00 0.00 51.96 50.16 1c89 s ALA 94 Cb -0.19 -4.04 -0.04 0.00 0.00 0.00 0.00 23.12 18.84 1c89 s ALA 94 CO -0.06 -3.01 -0.20 -1.83 0.00 0.00 0.00 175.76 170.67 1c89 s GLU 95 N 4.49 1.38 -0.84 0.00 -1.05 -0.24 -4.71 118.70 117.73 1c89 s GLU 95 Ca 0.29 -1.49 -0.25 0.00 -0.15 0.00 0.00 54.97 53.37 1c89 s GLU 95 Cb -0.12 -1.50 0.00 0.00 -0.44 0.00 0.00 34.13 32.08 1c89 s GLU 95 CO 0.08 0.30 1.64 -2.00 0.95 0.00 0.00 175.26 176.23 1c89 s GLU 96 N -2.89 3.01 0.19 -4.83 -6.30 -1.26 -1.04 118.70 105.58 1c89 s GLU 96 Ca 0.19 -0.35 -0.11 0.00 -2.50 0.00 0.00 54.97 52.20 1c89 s GLU 96 Cb -0.06 -4.83 -0.00 0.00 0.00 0.00 0.00 34.13 29.24 1c89 s GLU 96 CO 0.08 -2.64 0.36 0.54 0.02 0.00 0.00 175.26 173.63 1c89 s VAL 97 N 7.43 0.04 0.26 3.70 0.11 -1.26 -4.76 120.40 125.93 1c89 s VAL 97 Ca 0.55 -1.29 0.08 0.00 -2.93 0.00 0.00 61.98 58.39 1c89 s VAL 97 Cb -0.06 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 32.88 1c89 s VAL 97 CO 0.04 -0.20 0.11 -0.44 -3.33 0.00 0.00 175.10 171.28 1c89 s SER 98 N -2.96 5.07 1.03 3.54 0.01 -1.26 -4.31 113.70 114.82 1c89 s SER 98 Ca 0.17 -0.44 -0.16 0.00 1.31 0.00 0.00 55.95 56.83 1c89 s SER 98 Cb 0.02 -1.14 0.21 0.00 0.21 0.00 0.00 66.02 65.33 1c89 s SER 98 CO 0.01 -0.03 1.20 -2.16 0.41 0.00 0.00 173.24 172.68 1c89 s PRO 99 N -3.77 0.12 -0.78 12.44 0.04 -1.26 -4.56 135.00 137.23 1c89 s PRO 99 Ca 0.32 -0.12 -0.21 0.00 0.04 0.00 0.00 61.00 61.03 1c89 s PRO 99 Cb -0.07 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 32.80 1c89 s PRO 99 CO 0.23 -2.81 1.05 0.15 0.04 0.00 0.00 177.00 175.66 1c89 s LYS 100 N -5.58 3.32 0.00 4.56 -0.14 -1.26 -4.96 119.74 115.69 1c89 s LYS 100 Ca 0.70 -1.22 0.00 0.00 -1.36 0.00 0.00 55.97 54.10 1c89 s LYS 100 Cb -0.08 -4.56 0.00 0.00 -1.68 0.00 0.00 37.83 31.51 1c89 s LYS 100 CO 0.54 -1.82 0.00 0.41 -0.76 0.00 0.00 175.35 173.72 1c89 n GLY 101 N 5.48 1.71 3.45 -3.33 0.00 -1.26 -4.96 105.19 106.27 1c89 n GLY 101 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 0.14 3.83 0.75 -0.61 1.01 -0.67 -4.88 121.20 120.76 1c89 s ILE 102 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 1c89 s ILE 102 Cb 0.00 -2.71 0.04 0.00 0.01 0.00 0.00 42.46 39.80 1c89 s ILE 102 CO 0.00 0.45 1.08 -2.16 0.00 0.00 0.00 174.94 174.31 1c89 s PRO 103 N 0.81 2.47 -0.43 2.79 0.04 -1.26 -2.00 135.00 137.43 1c89 s PRO 103 Ca -0.00 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 62.06 1c89 s PRO 103 Cb -0.14 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 1c89 s PRO 103 CO 0.02 -1.47 3.14 0.43 0.04 0.00 0.00 177.00 179.16 1c89 n SER 104 N -3.39 6.26 -0.08 6.66 7.64 -1.25 -4.43 113.62 125.01 1c89 n SER 104 Ca 0.08 -2.82 -0.19 0.00 1.01 0.00 0.00 58.87 56.96 1c89 n SER 104 Cb 0.53 -1.36 -0.12 0.00 -1.01 0.00 0.00 64.21 62.25 1c89 n SER 104 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1c89 h GLU 105 N 3.31 0.01 -0.39 1.43 5.08 -1.94 -3.38 114.58 118.70 1c89 h GLU 105 Ca 0.37 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1c89 h GLU 105 Cb 1.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1c89 h GLU 105 CO 0.72 1.01 0.00 0.39 -1.00 0.00 0.00 179.01 180.13 1c89 n GLU 106 N -4.48 2.40 -0.35 2.33 1.02 -1.26 -4.54 120.64 115.76 1c89 n GLU 106 Ca -0.23 -2.13 0.11 0.00 -0.02 0.00 0.00 57.16 54.89 1c89 n GLU 106 Cb 0.61 -1.40 0.30 0.00 -0.02 0.00 0.00 31.44 30.93 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 3.26 0.79 -1.20 -3.67 6.09 -1.82 0.18 117.51 121.14 1c89 h ILE 107 Ca 0.00 -0.29 0.37 0.00 -1.37 0.00 0.00 64.86 63.57 1c89 h ILE 107 Cb 0.82 -0.13 -0.12 0.00 0.47 0.00 0.00 36.82 37.87 1c89 h ILE 107 CO 0.00 0.15 0.77 -1.28 -3.07 0.00 0.00 178.15 174.73 1c89 h SER 108 N 0.85 0.32 0.54 2.19 0.87 -1.85 1.29 113.55 117.75 1c89 h SER 108 Ca 0.54 0.12 -0.25 0.00 -1.23 0.00 0.00 61.79 60.97 1c89 h SER 108 Cb 0.74 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.74 1c89 h SER 108 CO -0.33 -0.08 -1.64 0.29 -0.53 0.00 0.00 176.83 174.54 1c89 n LYS 109 N -4.68 0.63 -0.14 2.24 5.02 0.00 -3.89 118.16 117.35 1c89 n LYS 109 Ca 0.33 0.26 0.10 0.00 -2.02 0.00 0.00 58.31 56.98 1c89 n LYS 109 Cb 1.21 -1.79 0.30 0.00 -0.02 0.00 0.00 35.03 34.73 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1c89 n LEU 110 N -2.98 2.19 -4.75 -0.35 4.77 0.15 -4.91 117.00 111.12 1c89 n LEU 110 Ca -0.15 -0.97 -0.41 0.00 -0.03 0.00 0.00 56.01 54.45 1c89 n LEU 110 Cb 0.99 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 1c89 n LEU 110 CO 0.44 0.48 1.12 -0.69 -1.33 0.00 0.00 177.39 177.42 1c89 s VAL 111 N -1.64 2.52 -0.18 4.08 1.01 0.40 -1.75 120.40 124.83 1c89 s VAL 111 Ca 0.33 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1c89 s VAL 111 Cb 0.18 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1c89 s VAL 111 CO 0.26 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1c89 n GLY 112 N 1.96 0.52 3.78 4.51 0.00 0.39 -4.90 105.19 111.45 1c89 n GLY 112 Ca 0.06 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.19 3.89 -0.24 1.61 0.00 -0.71 -4.22 119.30 118.44 1c89 s MET 113 Ca 0.00 1.53 -0.19 0.00 0.00 0.00 0.00 55.69 57.03 1c89 s MET 113 Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 34.83 32.48 1c89 s MET 113 CO 0.00 -0.38 0.56 -0.65 0.00 0.00 0.00 175.02 174.55 1c89 s GLN 114 N -2.84 4.12 0.55 3.16 -0.21 -1.26 -2.50 119.66 120.68 1c89 s GLN 114 Ca 0.63 0.43 -0.16 0.00 0.02 0.00 0.00 55.36 56.29 1c89 s GLN 114 Cb -0.22 -3.63 -0.06 0.00 1.00 0.00 0.00 33.01 30.11 1c89 s GLN 114 CO 0.26 -0.32 1.01 0.54 -2.12 0.00 0.00 175.29 174.67 1c89 s VAL 115 N 2.18 4.36 -1.63 1.09 0.11 -1.26 -4.80 120.40 120.45 1c89 s VAL 115 Ca 0.24 1.07 0.22 0.00 -2.93 0.00 0.00 61.98 60.58 1c89 s VAL 115 Cb -0.16 -3.64 -0.09 0.00 -1.53 0.00 0.00 36.38 30.96 1c89 s VAL 115 CO 0.09 -0.70 1.00 -3.20 -3.33 0.00 0.00 175.10 168.96 1c89 n ASN 116 N -1.87 1.63 -4.46 3.54 2.85 -1.26 -0.61 115.26 115.07 1c89 n ASN 116 Ca 0.07 -1.32 -0.28 0.00 -0.11 0.00 0.00 54.58 52.95 1c89 n ASN 116 Cb 0.54 0.67 -0.09 0.00 1.24 0.00 0.00 39.78 42.14 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 -2.64 1.98 0.01 1.20 1.81 -1.26 -4.66 118.95 115.39 1c89 s ARG 117 Ca 0.14 -2.20 -0.16 0.00 -1.72 0.00 0.00 55.73 51.79 1c89 s ARG 117 Cb 0.17 -1.11 -0.06 0.00 -0.45 0.00 0.00 34.95 33.50 1c89 s ARG 117 CO 0.67 -0.33 0.44 0.00 -0.68 0.00 0.00 175.30 175.40 1c89 s ALA 118 N -3.04 3.66 -0.19 2.13 0.00 -1.26 -3.86 121.76 119.20 1c89 s ALA 118 Ca 0.21 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1c89 s ALA 118 Cb 0.04 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.74 1c89 s ALA 118 CO 0.11 0.44 -0.19 0.08 0.00 0.00 0.00 175.76 176.20 1c89 s VAL 119 N -0.97 2.07 0.52 0.00 1.01 -1.06 -4.92 120.40 117.04 1c89 s VAL 119 Ca 0.25 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 1c89 s VAL 119 Cb -0.17 -1.91 0.12 0.00 0.00 0.00 0.00 36.38 34.42 1c89 s VAL 119 CO 0.14 0.47 0.27 -1.22 0.00 0.00 0.00 175.10 174.76 1c89 n TYR 120 N 4.60 -2.16 0.00 5.22 4.02 -1.26 0.63 117.16 128.21 1c89 n TYR 120 Ca -0.20 -0.17 0.00 0.00 -0.01 0.00 0.00 57.90 57.51 1c89 n TYR 120 Cb 0.49 -0.56 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 1c89 n TYR 120 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1c89 n LEU 121 N 0.00 0.00 -4.07 7.72 7.94 -1.25 -4.12 117.00 123.22 1c89 n LEU 121 Ca 0.04 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.79 1c89 n LEU 121 Cb 0.19 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.07 1c89 n LEU 121 CO 0.12 0.00 1.04 0.47 -1.11 0.00 0.00 177.39 177.92 1c89 n ASP 122 N 0.00 -0.00 -4.44 1.96 8.00 -0.32 -4.31 116.55 117.44 1c89 n ASP 122 Ca 0.00 -1.86 -0.28 0.00 0.71 0.00 0.00 54.79 53.36 1c89 n ASP 122 Cb 0.00 -0.84 -0.12 0.00 -0.02 0.00 0.00 41.12 40.14 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1c89 s GLN 123 N 6.30 1.57 0.14 -1.24 0.74 -1.17 -4.13 119.66 121.87 1c89 s GLN 123 Ca 0.44 -1.40 -0.30 0.00 0.05 0.00 0.00 55.36 54.15 1c89 s GLN 123 Cb 0.02 -1.93 -0.07 0.00 1.10 0.00 0.00 33.01 32.13 1c89 s GLN 123 CO 0.15 0.43 1.00 0.99 -0.55 0.00 0.00 175.29 177.31 1c89 s THR 124 N -1.42 4.28 0.23 -0.34 2.01 -1.26 -0.86 115.64 118.28 1c89 s THR 124 Ca 0.19 1.94 -0.31 0.00 0.31 0.00 0.00 61.69 63.82 1c89 s THR 124 Cb -0.09 -4.24 -0.10 0.00 0.01 0.00 0.00 72.50 68.08 1c89 s THR 124 CO 0.09 0.32 1.53 -0.22 -0.69 0.00 0.00 174.62 175.65 1c89 s LEU 125 N -0.18 4.37 -0.03 4.42 2.96 -0.08 -4.92 118.68 125.21 1c89 s LEU 125 Ca 0.47 2.73 0.06 0.00 -0.22 0.00 0.00 54.13 57.17 1c89 s LEU 125 Cb -0.25 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.81 1c89 s LEU 125 CO 0.31 -0.80 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.30 1c89 s MET 126 N 0.12 1.88 0.00 1.98 -1.94 -1.26 -1.67 119.30 118.41 1c89 s MET 126 Ca 0.64 -0.72 0.20 0.00 -1.71 0.00 0.00 55.69 54.10 1c89 s MET 126 Cb -0.44 -1.70 0.95 0.00 2.01 0.00 0.00 34.83 35.64 1c89 s MET 126 CO 0.40 0.36 1.63 -0.35 -0.01 0.00 0.00 175.02 177.05 1c89 n PRO 127 N 2.85 0.18 0.09 2.03 -0.04 -1.26 -2.67 135.00 136.18 1c89 n PRO 127 Ca -0.17 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1c89 n PRO 127 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.37 0.80 -0.08 3.54 8.00 -1.26 -4.35 116.55 121.82 1c89 n ASP 128 Ca 0.08 0.31 -0.15 0.00 0.71 0.00 0.00 54.79 55.74 1c89 n ASP 128 Cb 0.19 0.53 -0.10 0.00 -0.02 0.00 0.00 41.12 41.72 1c89 n ASP 128 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1c89 h MET 129 N 0.00 0.00 -6.45 -1.24 4.05 -1.94 -3.44 114.93 105.91 1c89 h MET 129 Ca -0.01 0.00 -0.57 0.00 -0.28 0.00 0.00 59.70 58.84 1c89 h MET 129 Cb 1.03 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.78 1c89 h MET 129 CO 0.00 0.78 1.11 0.08 0.23 0.00 0.00 176.91 179.11 1c89 s VAL 130 N -2.23 3.82 -1.48 -5.77 1.01 -1.22 -4.48 120.40 110.05 1c89 s VAL 130 Ca -0.21 0.85 0.25 0.00 0.00 0.00 0.00 61.98 62.86 1c89 s VAL 130 Cb 0.02 -4.06 0.45 0.00 0.00 0.00 0.00 36.38 32.79 1c89 s VAL 130 CO 0.52 -0.64 1.82 2.29 0.00 0.00 0.00 175.10 179.09 1c89 n LYS 131 N 8.07 0.39 0.00 2.72 -0.00 -1.26 -2.65 118.16 125.43 1c89 n LYS 131 Ca 0.18 0.05 0.11 0.00 -0.00 0.00 0.00 58.31 58.65 1c89 n LYS 131 Cb 0.47 -1.50 0.02 0.00 -0.00 0.00 0.00 35.03 34.03 1c89 n LYS 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1c89 n ASN 132 N -1.26 1.46 -4.68 -5.58 2.85 -1.26 -4.96 115.26 101.82 1c89 n ASN 132 Ca 0.12 -1.18 -0.33 0.00 -0.11 0.00 0.00 54.58 53.08 1c89 n ASN 132 Cb 0.19 0.59 0.13 0.00 1.24 0.00 0.00 39.78 41.93 1c89 n ASN 132 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1c89 n TYR 133 N -0.70 1.17 0.53 1.20 9.36 -1.08 -5.15 117.16 122.50 1c89 n TYR 133 Ca 0.08 0.40 0.06 0.00 3.32 0.00 0.00 57.90 61.76 1c89 n TYR 133 Cb 0.40 -2.09 0.05 0.00 -0.63 0.00 0.00 39.34 37.07 1c89 n TYR 133 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47