#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 1.26 0.39 1.20 1.02 -1.26 -5.01 119.74 117.34 1c89 s LYS 2 Ca 0.00 -0.63 -0.25 0.00 0.02 0.00 0.00 55.97 55.12 1c89 s LYS 2 Cb 0.00 -2.07 -0.09 0.00 -0.52 0.00 0.00 37.83 35.16 1c89 s LYS 2 CO 0.00 -1.89 1.07 0.00 -0.92 0.00 0.00 175.35 173.61 1c89 s ALA 3 N -3.53 3.13 0.20 5.17 0.00 -1.26 -4.60 121.76 120.86 1c89 s ALA 3 Ca 0.69 0.76 0.05 0.00 0.00 0.00 0.00 51.96 53.47 1c89 s ALA 3 Cb -0.05 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1c89 s ALA 3 CO 0.49 -0.26 0.20 -1.12 0.00 0.00 0.00 175.76 175.07 1c89 s SER 4 N -1.42 5.73 -0.63 0.00 0.01 0.21 -3.88 113.70 113.73 1c89 s SER 4 Ca 0.56 -0.10 -0.25 0.00 1.31 0.00 0.00 55.95 57.48 1c89 s SER 4 Cb -0.24 -1.55 0.05 0.00 0.21 0.00 0.00 66.02 64.49 1c89 s SER 4 CO 0.31 0.02 1.05 -0.69 0.41 0.00 0.00 173.24 174.34 1c89 s VAL 5 N -1.89 4.19 -0.18 3.43 1.01 -1.03 -2.63 120.40 123.31 1c89 s VAL 5 Ca 0.32 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 1c89 s VAL 5 Cb -0.09 -4.68 -0.00 0.00 0.00 0.00 0.00 36.38 31.60 1c89 s VAL 5 CO 0.25 -1.40 -0.11 -0.69 0.00 0.00 0.00 175.10 173.15 1c89 s VAL 6 N 4.47 2.93 0.27 2.92 1.01 -0.81 -0.78 120.40 130.42 1c89 s VAL 6 Ca 0.30 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1c89 s VAL 6 Cb -0.12 -2.28 -0.14 0.00 0.00 0.00 0.00 36.38 33.84 1c89 s VAL 6 CO 0.16 0.48 1.26 0.00 0.00 0.00 0.00 175.10 177.01 1c89 n ALA 7 N 4.34 0.64 -0.08 5.51 0.00 0.10 -2.11 120.51 128.90 1c89 n ALA 7 Ca -0.19 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.50 1c89 n ALA 7 Cb 0.51 -2.18 -0.12 0.00 0.00 0.00 0.00 19.45 17.66 1c89 n ALA 7 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1c89 h ASN 8 N 3.22 0.00 -3.91 0.00 4.21 0.24 -0.34 115.58 119.00 1c89 h ASN 8 Ca -0.44 -0.80 -0.11 0.00 1.21 0.00 0.00 56.30 56.16 1c89 h ASN 8 Cb 1.30 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 38.52 1c89 h ASN 8 CO 0.68 1.10 0.02 0.00 -1.29 0.00 0.00 177.43 177.94 1c89 n GLN 9 N -4.57 0.53 -3.06 0.81 10.64 -1.26 -3.19 117.38 117.28 1c89 n GLN 9 Ca -0.15 -0.64 -0.42 0.00 -1.83 0.00 0.00 57.00 53.96 1c89 n GLN 9 Cb 0.50 -0.13 -0.06 0.00 -0.86 0.00 0.00 30.24 29.69 1c89 n GLN 9 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1c89 s LEU 10 N 0.00 4.22 -0.21 2.61 0.20 -1.26 -4.01 118.68 120.23 1c89 s LEU 10 Ca 0.15 0.21 -0.12 0.00 0.69 0.00 0.00 54.13 55.07 1c89 s LEU 10 Cb -0.01 -2.86 -0.05 0.00 -0.43 0.00 0.00 46.19 42.84 1c89 s LEU 10 CO 0.10 -0.64 0.20 -0.63 -0.29 0.00 0.00 176.35 175.09 1c89 s ILE 11 N 2.84 5.35 0.00 6.68 -1.09 0.82 -4.94 121.20 130.85 1c89 s ILE 11 Ca 0.27 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 1c89 s ILE 11 Cb -0.14 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1c89 s ILE 11 CO 0.15 0.37 0.00 -0.81 -1.23 0.00 0.00 174.94 173.43 1c89 n PRO 12 N 3.93 0.55 -2.22 2.79 -0.04 -1.26 0.16 135.00 138.92 1c89 n PRO 12 Ca -0.14 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.04 1c89 n PRO 12 Cb 0.52 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.30 4.05 -1.06 0.52 -5.25 -1.25 -4.31 121.20 113.60 1c89 s ILE 13 Ca 0.00 0.32 -0.21 0.00 -0.99 0.00 0.00 60.65 59.77 1c89 s ILE 13 Cb 0.00 -3.62 0.03 0.00 2.95 0.00 0.00 42.46 41.82 1c89 s ILE 13 CO 0.00 -0.70 0.66 0.59 -1.79 0.00 0.00 174.94 173.70 1c89 n ASN 14 N -2.65 -4.52 -3.68 4.36 3.02 -0.61 -4.85 115.26 106.32 1c89 n ASN 14 Ca 0.05 -1.15 -0.27 0.00 -0.03 0.00 0.00 54.58 53.18 1c89 n ASN 14 Cb 0.56 -1.81 -0.17 0.00 -0.61 0.00 0.00 39.78 37.76 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 -3.32 0.26 -0.50 3.41 2.01 -1.26 -4.87 115.64 111.37 1c89 s THR 15 Ca 0.31 -0.36 -0.27 0.00 0.31 0.00 0.00 61.69 61.68 1c89 s THR 15 Cb -0.16 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1c89 s THR 15 CO 0.94 -0.22 2.11 0.00 -0.69 0.00 0.00 174.62 176.76 1c89 s ALA 16 N 1.98 2.06 0.57 7.40 0.00 -1.24 -3.98 121.76 128.55 1c89 s ALA 16 Ca 0.01 -0.17 -0.19 0.00 0.00 0.00 0.00 51.96 51.60 1c89 s ALA 16 Cb -0.16 -4.27 -0.06 0.00 0.00 0.00 0.00 23.12 18.62 1c89 s ALA 16 CO -0.08 -3.92 0.88 1.28 0.00 0.00 0.00 175.76 173.92 1c89 n LEU 17 N 13.73 2.95 -4.59 0.00 4.77 -0.57 -4.42 117.00 128.87 1c89 n LEU 17 Ca 0.28 0.83 -0.27 0.00 -0.03 0.00 0.00 56.01 56.82 1c89 n LEU 17 Cb 0.52 -1.34 -0.11 0.00 -2.33 0.00 0.00 43.42 40.16 1c89 n LEU 17 CO 0.70 -2.04 -0.30 0.42 -1.33 0.00 0.00 177.39 174.84 1c89 s THR 18 N -1.52 1.97 0.60 -5.08 -4.23 -1.26 0.16 115.64 106.28 1c89 s THR 18 Ca 0.72 -2.03 0.31 0.00 -1.18 0.00 0.00 61.69 59.51 1c89 s THR 18 Cb -0.44 -2.92 0.37 0.00 1.34 0.00 0.00 72.50 70.84 1c89 s THR 18 CO 0.50 -0.04 2.22 -0.07 -0.54 0.00 0.00 174.62 176.69 1c89 h LEU 19 N 1.84 0.00 0.61 4.79 -0.00 -1.95 -1.77 115.31 118.83 1c89 h LEU 19 Ca -0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.42 1c89 h LEU 19 Cb 1.24 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.91 1c89 h LEU 19 CO 0.78 0.00 -0.29 0.40 -0.00 0.00 0.00 178.44 179.33 1c89 h ILE 20 N 0.00 0.30 -0.15 1.22 5.03 -2.01 -2.83 117.51 119.07 1c89 h ILE 20 Ca 0.03 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.50 1c89 h ILE 20 Cb 0.16 0.38 0.00 0.00 -3.03 0.00 0.00 36.82 34.33 1c89 h ILE 20 CO -0.00 0.03 0.00 1.15 -0.68 0.00 0.00 178.15 178.65 1c89 n MET 21 N -5.37 1.48 -3.75 2.37 0.00 -1.04 -4.75 117.12 106.06 1c89 n MET 21 Ca -0.12 -0.61 -0.37 0.00 0.00 0.00 0.00 57.70 56.60 1c89 n MET 21 Cb 0.35 -1.25 -0.13 0.00 0.00 0.00 0.00 33.22 32.20 1c89 n MET 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 1c89 s MET 22 N -1.69 3.31 -0.20 3.17 0.00 -0.70 0.22 119.30 123.40 1c89 s MET 22 Ca 0.11 -0.71 -0.04 0.00 0.00 0.00 0.00 55.69 55.05 1c89 s MET 22 Cb 0.06 -3.36 -0.01 0.00 0.00 0.00 0.00 34.83 31.52 1c89 s MET 22 CO 0.06 -0.35 -0.04 0.21 0.00 0.00 0.00 175.02 174.90 1c89 s LYS 23 N 1.55 3.44 -1.34 4.11 2.20 -0.90 -4.87 119.74 123.93 1c89 s LYS 23 Ca 0.04 -0.60 -0.06 0.00 -0.36 0.00 0.00 55.97 54.99 1c89 s LYS 23 Cb -0.16 -2.98 0.11 0.00 -1.51 0.00 0.00 37.83 33.29 1c89 s LYS 23 CO 0.03 -0.09 2.41 0.00 -0.36 0.00 0.00 175.35 177.33 1c89 n ALA 24 N 4.49 6.81 -2.87 3.13 0.00 -1.26 -1.93 120.51 128.88 1c89 n ALA 24 Ca -0.18 -4.05 -0.25 0.00 0.00 0.00 0.00 53.44 48.96 1c89 n ALA 24 Cb 0.51 -2.83 -0.04 0.00 0.00 0.00 0.00 19.45 17.10 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 -0.85 3.13 -0.82 0.00 2.12 -1.08 -4.53 118.70 116.67 1c89 s GLU 25 Ca 0.55 -0.80 -0.20 0.00 0.36 0.00 0.00 54.97 54.87 1c89 s GLU 25 Cb 0.18 -2.76 0.10 0.00 0.26 0.00 0.00 34.13 31.92 1c89 s GLU 25 CO -0.09 0.48 1.08 0.08 -0.54 0.00 0.00 175.26 176.27 1c89 s VAL 26 N -1.83 4.52 0.19 3.70 1.01 -1.26 0.68 120.40 127.40 1c89 s VAL 26 Ca 0.33 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 1c89 s VAL 26 Cb -0.10 -4.76 -0.04 0.00 0.00 0.00 0.00 36.38 31.48 1c89 s VAL 26 CO 0.26 -1.51 0.10 0.68 0.00 0.00 0.00 175.10 174.62 1c89 s VAL 27 N 3.37 0.16 0.34 2.92 -7.23 -1.26 -4.92 120.40 113.78 1c89 s VAL 27 Ca 0.29 -1.98 0.08 0.00 -1.81 0.00 0.00 61.98 58.56 1c89 s VAL 27 Cb -0.10 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 1c89 s VAL 27 CO -0.02 -0.16 0.21 0.42 -0.31 0.00 0.00 175.10 175.25 1c89 s THR 28 N -4.04 3.27 0.91 5.32 -4.23 -1.26 -4.35 115.64 111.26 1c89 s THR 28 Ca 0.34 -1.54 -0.12 0.00 -1.18 0.00 0.00 61.69 59.19 1c89 s THR 28 Cb 0.07 -3.08 0.14 0.00 1.34 0.00 0.00 72.50 70.97 1c89 s THR 28 CO 0.09 -0.18 1.13 -2.16 -0.54 0.00 0.00 174.62 172.96 1c89 s PRO 29 N -3.92 1.18 0.38 3.99 0.04 -1.26 -4.95 135.00 130.46 1c89 s PRO 29 Ca 0.39 0.32 -0.06 0.00 0.04 0.00 0.00 61.00 61.69 1c89 s PRO 29 Cb -0.04 -1.84 0.09 0.00 0.04 0.00 0.00 34.50 32.75 1c89 s PRO 29 CO 0.24 -2.18 0.38 0.00 0.04 0.00 0.00 177.00 175.48 1c89 n MET 30 N -3.76 -1.36 0.00 4.56 0.00 -1.26 -4.87 117.12 110.43 1c89 n MET 30 Ca 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 57.70 57.16 1c89 n MET 30 Cb 0.59 -0.51 0.00 0.00 0.00 0.00 0.00 33.22 33.30 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 0.66 -1.20 3.25 3.17 0.00 -1.26 -4.83 105.19 104.99 1c89 n GLY 31 Ca 0.05 0.59 -0.33 0.00 0.00 0.00 0.00 46.02 46.33 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 2.64 1.06 -0.61 1.01 -0.27 -4.87 121.20 120.16 1c89 s ILE 32 Ca 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.71 1c89 s ILE 32 Cb 0.00 -2.11 0.23 0.00 0.01 0.00 0.00 42.46 40.58 1c89 s ILE 32 CO 0.00 0.51 1.17 -2.16 0.00 0.00 0.00 174.94 174.46 1c89 s PRO 33 N 0.86 -0.12 -0.17 2.79 0.04 -1.26 -2.45 135.00 134.69 1c89 s PRO 33 Ca -0.04 -0.03 0.01 0.00 0.04 0.00 0.00 61.00 60.98 1c89 s PRO 33 Cb -0.15 -1.72 0.21 0.00 0.04 0.00 0.00 34.50 32.88 1c89 s PRO 33 CO -0.01 -2.98 1.48 0.00 0.04 0.00 0.00 177.00 175.53 1c89 n ALA 34 N -4.25 3.86 -0.00 8.56 0.00 -1.25 -4.39 120.51 123.03 1c89 n ALA 34 Ca 0.12 -1.04 -0.13 0.00 0.00 0.00 0.00 53.44 52.39 1c89 n ALA 34 Cb 0.59 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 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 0.58 0.03 -1.00 0.00 4.81 -1.93 -2.98 114.58 114.10 1c89 h GLU 35 Ca 0.22 -0.01 -0.35 0.00 -0.13 0.00 0.00 59.36 59.08 1c89 h GLU 35 Cb 1.48 -0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.64 1c89 h GLU 35 CO 0.42 0.37 0.45 0.39 -0.73 0.00 0.00 179.01 179.90 1c89 n GLU 36 N -4.90 1.89 -0.34 1.92 -0.58 -1.26 -4.65 120.64 112.71 1c89 n GLU 36 Ca -0.08 -2.07 0.01 0.00 -0.42 0.00 0.00 57.16 54.60 1c89 n GLU 36 Cb 0.19 -1.82 0.06 0.00 -0.57 0.00 0.00 31.44 29.31 1c89 n GLU 36 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1c89 n ILE 37 N -0.62 -0.45 0.37 -3.67 2.08 -1.13 0.27 119.36 116.22 1c89 n ILE 37 Ca 0.41 2.12 0.14 0.00 0.56 0.00 0.00 62.75 65.98 1c89 n ILE 37 Cb 1.31 -2.83 0.53 0.00 -0.75 0.00 0.00 39.64 37.89 1c89 n ILE 37 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1c89 h PRO 38 N 0.00 0.00 0.00 0.38 0.13 -1.88 -1.14 132.00 129.49 1c89 h PRO 38 Ca 0.35 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.14 1c89 h PRO 38 Cb 0.57 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.65 1c89 h PRO 38 CO -0.91 0.00 -2.21 0.09 -0.23 0.00 0.00 178.00 174.74 1c89 n ASN 39 N -2.58 2.12 0.13 1.44 4.13 0.59 -4.54 115.26 116.54 1c89 n ASN 39 Ca 0.02 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1c89 n ASN 39 Cb 0.30 -0.44 0.09 0.00 -1.54 0.00 0.00 39.78 38.19 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1c89 h LEU 40 N -0.26 0.00 -9.32 3.41 4.07 0.38 -3.44 115.31 110.16 1c89 h LEU 40 Ca -0.50 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 56.87 1c89 h LEU 40 Cb 1.65 0.00 0.18 0.00 1.08 0.00 0.00 40.66 43.57 1c89 h LEU 40 CO -0.16 0.63 -0.69 0.52 -1.08 0.00 0.00 178.44 177.65 1c89 n VAL 41 N -3.43 1.38 -1.10 1.22 0.31 -0.43 -1.02 118.33 115.26 1c89 n VAL 41 Ca 0.00 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.80 1c89 n VAL 41 Cb 0.72 -0.42 -0.01 0.00 -0.91 0.00 0.00 33.84 33.21 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 2.07 0.57 3.76 2.92 0.00 0.41 -4.88 105.19 110.04 1c89 n GLY 42 Ca 0.10 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.61 4.47 -0.06 1.61 0.00 -0.19 -3.98 119.30 119.54 1c89 s MET 43 Ca 0.00 2.03 -0.14 0.00 0.00 0.00 0.00 55.69 57.58 1c89 s MET 43 Cb 0.00 -3.13 -0.05 0.00 0.00 0.00 0.00 34.83 31.65 1c89 s MET 43 CO 0.00 -0.04 0.36 -0.65 0.00 0.00 0.00 175.02 174.69 1c89 s GLN 44 N -1.45 3.98 0.56 3.16 -0.21 -1.26 -1.51 119.66 122.94 1c89 s GLN 44 Ca 0.48 0.28 -0.06 0.00 0.02 0.00 0.00 55.36 56.08 1c89 s GLN 44 Cb -0.36 -3.29 -0.01 0.00 1.00 0.00 0.00 33.01 30.35 1c89 s GLN 44 CO 0.46 0.54 0.88 0.14 -2.12 0.00 0.00 175.29 175.20 1c89 s VAL 45 N -0.53 4.13 -0.76 1.09 -7.23 -1.26 -3.96 120.40 111.88 1c89 s VAL 45 Ca 0.21 0.15 0.22 0.00 -1.81 0.00 0.00 61.98 60.76 1c89 s VAL 45 Cb -0.15 -3.62 -0.18 0.00 0.56 0.00 0.00 36.38 32.99 1c89 s VAL 45 CO 0.10 -0.65 0.95 0.59 -0.31 0.00 0.00 175.10 175.78 1c89 n ASN 46 N -2.51 0.70 -2.36 4.85 4.13 0.64 -1.57 115.26 119.15 1c89 n ASN 46 Ca 0.03 -0.55 -0.11 0.00 1.68 0.00 0.00 54.58 55.63 1c89 n ASN 46 Cb 0.56 0.98 -0.04 0.00 -1.54 0.00 0.00 39.78 39.74 1c89 n ASN 46 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1c89 n ARG 47 N -1.73 0.45 -2.55 3.52 1.74 -1.26 -4.84 116.66 112.00 1c89 n ARG 47 Ca 0.03 -1.68 -0.37 0.00 -0.77 0.00 0.00 57.85 55.06 1c89 n ARG 47 Cb 0.39 1.16 -0.04 0.00 -1.02 0.00 0.00 32.46 32.95 1c89 n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c89 s ALA 48 N -2.62 3.12 -0.21 7.54 0.00 -1.26 -3.96 121.76 124.37 1c89 s ALA 48 Ca 0.15 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.84 1c89 s ALA 48 Cb 0.01 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1c89 s ALA 48 CO 0.11 -0.19 -0.17 0.08 0.00 0.00 0.00 175.76 175.59 1c89 s VAL 49 N -1.62 2.10 1.16 0.00 1.01 0.43 -4.98 120.40 118.50 1c89 s VAL 49 Ca 0.56 -1.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 1c89 s VAL 49 Cb -0.23 -2.00 0.28 0.00 0.00 0.00 0.00 36.38 34.43 1c89 s VAL 49 CO 0.28 0.35 1.16 -2.16 0.00 0.00 0.00 175.10 174.74 1c89 s PRO 50 N 1.23 -0.94 0.02 2.72 0.04 -1.26 -0.13 135.00 136.68 1c89 s PRO 50 Ca 0.00 -0.20 -0.30 0.00 0.04 0.00 0.00 61.00 60.54 1c89 s PRO 50 Cb -0.15 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.70 1c89 s PRO 50 CO -0.10 -3.50 1.21 -0.51 0.04 0.00 0.00 177.00 174.13 1c89 s LEU 51 N -6.74 4.34 -0.04 -3.56 1.43 -1.26 -3.10 118.68 109.75 1c89 s LEU 51 Ca 0.72 1.96 -0.00 0.00 -1.03 0.00 0.00 54.13 55.78 1c89 s LEU 51 Cb -0.08 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1c89 s LEU 51 CO 0.55 -0.51 0.01 0.61 0.23 0.00 0.00 176.35 177.24 1c89 n GLY 52 N 3.28 0.50 3.62 -3.19 0.00 -0.15 -4.98 105.19 104.28 1c89 n GLY 52 Ca 0.10 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.28 4.83 1.12 2.61 2.01 -1.17 -4.73 115.64 118.03 1c89 s THR 53 Ca 0.00 1.30 -0.12 0.00 0.31 0.00 0.00 61.69 63.18 1c89 s THR 53 Cb -0.00 -4.11 0.26 0.00 0.01 0.00 0.00 72.50 68.66 1c89 s THR 53 CO 0.00 -0.15 1.05 0.28 -0.69 0.00 0.00 174.62 175.11 1c89 s THR 54 N 2.86 2.01 -0.52 -0.82 -1.32 -1.26 -0.73 115.64 115.85 1c89 s THR 54 Ca 0.32 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.57 1c89 s THR 54 Cb -0.15 -2.01 0.04 0.00 -1.51 0.00 0.00 72.50 68.87 1c89 s THR 54 CO 0.10 -0.00 0.90 -0.22 -2.21 0.00 0.00 174.62 173.19 1c89 s LEU 55 N -7.14 4.16 -0.20 9.08 1.98 0.04 -4.73 118.68 121.88 1c89 s LEU 55 Ca 0.68 -0.29 -0.11 0.00 -2.89 0.00 0.00 54.13 51.52 1c89 s LEU 55 Cb -0.25 -2.87 -0.05 0.00 0.66 0.00 0.00 46.19 43.68 1c89 s LEU 55 CO 0.63 -1.14 0.18 -0.32 -1.89 0.00 0.00 176.35 173.81 1c89 s MET 56 N 3.75 4.19 0.14 1.98 1.75 -1.26 -1.12 119.30 128.73 1c89 s MET 56 Ca 0.30 -0.15 0.22 0.00 -1.25 0.00 0.00 55.69 54.81 1c89 s MET 56 Cb -0.13 -3.44 0.88 0.00 2.84 0.00 0.00 34.83 34.98 1c89 s MET 56 CO 0.20 0.24 1.68 -0.35 -0.65 0.00 0.00 175.02 176.14 1c89 n PRO 57 N 3.66 0.12 0.12 4.11 -0.04 -1.26 -1.89 135.00 139.82 1c89 n PRO 57 Ca -0.15 0.28 -0.18 0.00 -0.04 0.00 0.00 63.50 63.41 1c89 n PRO 57 Cb 0.52 -1.70 -0.14 0.00 -0.04 0.00 0.00 33.50 32.14 1c89 n PRO 57 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1c89 h ASP 58 N 0.00 0.54 -0.38 3.54 3.32 -2.01 -3.30 116.42 118.13 1c89 h ASP 58 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1c89 h ASP 58 Cb 0.41 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1c89 h ASP 58 CO 0.00 1.45 0.00 0.23 -1.72 0.00 0.00 179.24 179.20 1c89 n MET 59 N -3.58 2.35 -3.90 3.56 2.81 -1.17 -4.73 117.12 112.46 1c89 n MET 59 Ca -0.11 -2.14 -0.28 0.00 -1.81 0.00 0.00 57.70 53.36 1c89 n MET 59 Cb 1.05 -1.43 -0.12 0.00 -0.71 0.00 0.00 33.22 32.01 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 -1.23 2.79 -1.79 2.03 1.01 -0.79 -0.26 120.40 122.16 1c89 s VAL 60 Ca 0.33 -4.07 0.19 0.00 0.00 0.00 0.00 61.98 58.43 1c89 s VAL 60 Cb 0.19 -2.86 0.47 0.00 0.00 0.00 0.00 36.38 34.19 1c89 s VAL 60 CO 0.26 -0.97 1.57 0.29 0.00 0.00 0.00 175.10 176.25 1c89 n LYS 61 N 2.20 0.49 -0.01 2.72 4.76 -1.26 -3.35 118.16 123.71 1c89 n LYS 61 Ca 0.17 0.04 -0.17 0.00 -2.87 0.00 0.00 58.31 55.48 1c89 n LYS 61 Cb 0.35 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.90 1c89 n LYS 61 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1c89 n ASN 62 N -1.10 1.71 -4.51 4.39 4.13 -1.25 -4.60 115.26 114.01 1c89 n ASN 62 Ca 0.13 0.24 -0.49 0.00 1.68 0.00 0.00 54.58 56.14 1c89 n ASN 62 Cb 0.10 -0.55 -0.06 0.00 -1.54 0.00 0.00 39.78 37.73 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c89 n TYR 63 N -3.32 1.77 -0.57 3.10 0.18 -1.21 -4.89 117.16 112.21 1c89 n TYR 63 Ca -0.29 0.15 -0.16 0.00 1.88 0.00 0.00 57.90 59.48 1c89 n TYR 63 Cb 1.05 -2.59 0.12 0.00 -0.38 0.00 0.00 39.34 37.54 1c89 n TYR 63 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1c89 n GLU 64 N 8.16 -1.88 -0.03 -3.48 -0.58 -1.26 -4.97 120.64 116.59 1c89 n GLU 64 Ca 0.36 -0.55 -0.02 0.00 -0.42 0.00 0.00 57.16 56.53 1c89 n GLU 64 Cb 0.29 -1.39 -0.01 0.00 -0.57 0.00 0.00 31.44 29.76 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1c89 h ASP 65 N -2.53 0.00 0.00 1.62 5.19 -1.91 -3.50 116.42 115.30 1c89 h ASP 65 Ca -0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1c89 h ASP 65 Cb 0.69 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1c89 h ASP 65 CO 0.14 0.35 0.00 0.61 -3.12 0.00 0.00 179.24 177.21 1c89 n GLY 66 N 1.73 1.27 3.78 2.75 0.00 -1.26 -5.06 105.19 108.41 1c89 n GLY 66 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1c89 n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c89 n THR 67 N -0.72 0.00 0.00 2.61 -2.24 -1.26 -5.08 114.28 107.59 1c89 n THR 67 Ca 0.00 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 1c89 n THR 67 Cb 0.00 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 1c89 n THR 67 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1c89 n THR 68 N -3.66 0.00 -2.46 4.28 -1.04 -1.26 -5.00 114.28 105.14 1c89 n THR 68 Ca 0.16 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.76 1c89 n THR 68 Cb 0.57 -0.55 -0.04 0.00 -1.82 0.00 0.00 70.33 68.49 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 -0.23 7.18 0.00 8.00 0.01 -1.26 -5.00 113.70 122.40 1c89 s SER 69 Ca 0.00 2.09 0.00 0.00 1.31 0.00 0.00 55.95 59.35 1c89 s SER 69 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1c89 s SER 69 CO 0.00 -0.32 0.01 -0.81 0.41 0.00 0.00 173.24 172.52 1c89 n PRO 70 N 2.87 0.00 0.00 12.44 -0.04 -1.26 -4.88 135.00 144.13 1c89 n PRO 70 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1c89 n PRO 70 Cb 0.46 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 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 2.14 2.37 2.38 0.55 0.00 -1.26 -4.42 105.19 106.96 1c89 n GLY 71 Ca 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 6.62 -4.72 0.99 4.77 -1.26 -4.93 117.00 118.47 1c89 n LEU 72 Ca 0.00 -4.05 -0.39 0.00 -0.03 0.00 0.00 56.01 51.55 1c89 n LEU 72 Cb 0.00 -1.31 -0.05 0.00 -2.33 0.00 0.00 43.42 39.73 1c89 n LEU 72 CO 0.00 1.80 0.29 -1.59 -1.33 0.00 0.00 177.39 176.57 1c89 s LYS 73 N -0.86 4.38 0.19 3.23 -2.85 -1.26 -4.23 119.74 118.34 1c89 s LYS 73 Ca 0.60 0.68 0.05 0.00 -1.00 0.00 0.00 55.97 56.30 1c89 s LYS 73 Cb 0.33 -3.45 -0.04 0.00 -2.06 0.00 0.00 37.83 32.61 1c89 s LYS 73 CO -0.15 0.09 0.19 -1.54 0.10 0.00 0.00 175.35 174.04 1c89 s SER 74 N 0.74 5.70 -0.28 0.03 1.04 -0.79 -4.51 113.70 115.63 1c89 s SER 74 Ca 0.32 -0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.37 1c89 s SER 74 Cb -0.16 -1.54 -0.02 0.00 0.10 0.00 0.00 66.02 64.40 1c89 s SER 74 CO 0.14 0.03 1.78 -0.69 0.98 0.00 0.00 173.24 175.48 1c89 s VAL 75 N -1.85 3.49 -0.05 5.02 1.01 -0.98 -2.21 120.40 124.84 1c89 s VAL 75 Ca 0.32 0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.86 1c89 s VAL 75 Cb -0.10 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1c89 s VAL 75 CO 0.25 -0.34 -0.15 -0.69 0.00 0.00 0.00 175.10 174.17 1c89 s VAL 76 N 6.42 3.01 -1.03 2.92 1.01 -0.29 -1.39 120.40 131.06 1c89 s VAL 76 Ca 0.79 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 1c89 s VAL 76 Cb -0.24 -2.17 0.10 0.00 0.00 0.00 0.00 36.38 34.06 1c89 s VAL 76 CO 0.33 0.59 1.33 0.00 0.00 0.00 0.00 175.10 177.35 1c89 s ALA 77 N -0.71 3.21 0.02 5.51 0.00 0.13 0.88 121.76 130.80 1c89 s ALA 77 Ca 0.11 -2.67 0.23 0.00 0.00 0.00 0.00 51.96 49.62 1c89 s ALA 77 Cb -0.11 -4.28 1.23 0.00 0.00 0.00 0.00 23.12 19.96 1c89 s ALA 77 CO 0.00 -3.21 1.66 -0.97 0.00 0.00 0.00 175.76 173.25 1c89 h ASN 78 N 8.86 0.00 -3.57 0.00 -0.73 -1.80 -1.50 115.58 116.85 1c89 h ASN 78 Ca 0.22 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.37 1c89 h ASN 78 Cb 0.99 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.58 1c89 h ASN 78 CO 1.27 0.00 -0.01 1.67 -0.37 0.00 0.00 177.43 179.99 1c89 n GLN 79 N -2.34 1.49 -4.13 6.67 -0.06 -1.26 -2.80 117.38 114.94 1c89 n GLN 79 Ca -0.02 -0.13 -0.34 0.00 -2.00 0.00 0.00 57.00 54.52 1c89 n GLN 79 Cb 0.14 0.01 -0.10 0.00 -4.06 0.00 0.00 30.24 26.23 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 3.68 -0.16 1.69 0.20 -1.26 -3.54 118.68 119.29 1c89 s LEU 80 Ca 0.01 0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.89 1c89 s LEU 80 Cb -0.00 -1.91 0.02 0.00 -0.43 0.00 0.00 46.19 43.87 1c89 s LEU 80 CO 0.01 0.20 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.45 1c89 s ILE 81 N 0.20 1.93 0.63 6.68 1.01 -0.77 -4.96 121.20 125.93 1c89 s ILE 81 Ca 0.03 -0.87 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 1c89 s ILE 81 Cb -0.13 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 1c89 s ILE 81 CO 0.01 0.52 1.07 -2.16 0.00 0.00 0.00 174.94 174.38 1c89 s PRO 82 N 1.24 3.09 0.79 2.79 0.04 -1.26 0.56 135.00 142.25 1c89 s PRO 82 Ca 0.02 1.18 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 1c89 s PRO 82 Cb -0.13 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1c89 s PRO 82 CO -0.10 -0.99 -0.13 -0.89 0.04 0.00 0.00 177.00 174.93 1c89 n ILE 83 N -2.40 0.48 -3.51 0.56 5.41 -1.26 -3.39 119.36 115.26 1c89 n ILE 83 Ca 0.09 -0.44 -0.31 0.00 1.00 0.00 0.00 62.75 63.09 1c89 n ILE 83 Cb 0.53 -0.27 0.02 0.00 -0.71 0.00 0.00 39.64 39.21 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 1.67 -5.64 -3.49 4.38 3.02 0.30 -4.93 115.26 110.57 1c89 n ASN 84 Ca 0.05 -0.31 -0.24 0.00 -0.03 0.00 0.00 54.58 54.05 1c89 n ASN 84 Cb 0.52 -2.13 -0.13 0.00 -0.61 0.00 0.00 39.78 37.42 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 -2.03 -0.20 -0.87 3.41 2.01 -1.22 -4.81 115.64 111.93 1c89 s THR 85 Ca 0.26 -0.61 -0.19 0.00 0.31 0.00 0.00 61.69 61.46 1c89 s THR 85 Cb -0.03 -0.95 -0.22 0.00 0.01 0.00 0.00 72.50 71.30 1c89 s THR 85 CO 0.87 -0.60 2.28 0.00 -0.69 0.00 0.00 174.62 176.48 1c89 n ALA 86 N 5.28 0.67 -1.76 7.40 0.00 -1.24 -3.96 120.51 126.90 1c89 n ALA 86 Ca -0.05 -1.16 -0.40 0.00 0.00 0.00 0.00 53.44 51.83 1c89 n ALA 86 Cb 0.44 -2.88 -0.05 0.00 0.00 0.00 0.00 19.45 16.96 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 8.50 4.58 0.39 0.00 2.34 -0.04 -4.58 118.68 129.87 1c89 s LEU 87 Ca 1.08 2.18 0.08 0.00 0.06 0.00 0.00 54.13 57.52 1c89 s LEU 87 Cb -0.43 -3.63 -0.07 0.00 -0.56 0.00 0.00 46.19 41.50 1c89 s LEU 87 CO 0.29 -0.06 0.00 0.42 -1.06 0.00 0.00 176.35 175.94 1c89 s THR 88 N -1.17 2.11 0.63 5.48 -4.23 -1.26 0.26 115.64 117.46 1c89 s THR 88 Ca 0.44 -2.02 0.22 0.00 -1.18 0.00 0.00 61.69 59.15 1c89 s THR 88 Cb -0.30 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 70.90 1c89 s THR 88 CO 0.38 -0.06 1.58 0.17 -0.54 0.00 0.00 174.62 176.16 1c89 h LEU 89 N 1.80 0.00 -0.31 4.79 -0.00 -1.93 0.18 115.31 119.84 1c89 h LEU 89 Ca -0.43 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.40 1c89 h LEU 89 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 1c89 h LEU 89 CO 0.77 0.00 -0.00 -0.37 -0.00 0.00 0.00 178.44 178.84 1c89 h VAL 90 N 0.00 1.26 -0.19 0.15 -1.51 -2.01 -2.50 116.25 111.45 1c89 h VAL 90 Ca 0.16 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 1c89 h VAL 90 Cb 1.59 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 1c89 h VAL 90 CO -0.00 0.31 0.00 0.23 -1.23 0.00 0.00 177.57 176.88 1c89 n MET 91 N -4.55 1.51 -4.26 5.19 2.81 0.60 -4.82 117.12 113.59 1c89 n MET 91 Ca -0.03 -0.72 -0.35 0.00 -1.81 0.00 0.00 57.70 54.79 1c89 n MET 91 Cb 0.26 -1.20 -0.09 0.00 -0.71 0.00 0.00 33.22 31.48 1c89 n MET 91 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1c89 s MET 92 N -1.71 3.28 -0.38 0.03 0.23 -0.94 -4.22 119.30 115.58 1c89 s MET 92 Ca 0.13 -0.37 0.01 0.00 -1.03 0.00 0.00 55.69 54.43 1c89 s MET 92 Cb 0.07 -2.92 0.12 0.00 -1.53 0.00 0.00 34.83 30.57 1c89 s MET 92 CO 0.09 0.59 0.17 0.15 -2.03 0.00 0.00 175.02 173.99 1c89 s LYS 93 N -0.56 1.06 -0.64 3.16 1.02 0.25 -4.89 119.74 119.14 1c89 s LYS 93 Ca 0.10 -1.61 -0.26 0.00 0.02 0.00 0.00 55.97 54.21 1c89 s LYS 93 Cb -0.12 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1c89 s LYS 93 CO 0.02 -1.08 1.84 0.00 -0.92 0.00 0.00 175.35 175.21 1c89 s ALA 94 N 0.91 2.16 0.17 5.17 0.00 -1.26 -1.14 121.76 127.78 1c89 s ALA 94 Ca 0.14 -0.76 0.11 0.00 0.00 0.00 0.00 51.96 51.45 1c89 s ALA 94 Cb -0.21 -4.32 -0.04 0.00 0.00 0.00 0.00 23.12 18.54 1c89 s ALA 94 CO -0.10 -3.94 -0.25 -1.83 0.00 0.00 0.00 175.76 169.64 1c89 s GLU 95 N 6.98 1.50 -0.83 0.00 -1.05 -0.94 -4.76 118.70 119.60 1c89 s GLU 95 Ca 0.66 -1.47 -0.25 0.00 -0.15 0.00 0.00 54.97 53.76 1c89 s GLU 95 Cb -0.12 -1.87 0.01 0.00 -0.44 0.00 0.00 34.13 31.72 1c89 s GLU 95 CO 0.19 0.41 1.56 -2.00 0.95 0.00 0.00 175.26 176.37 1c89 s GLU 96 N -2.50 3.09 0.10 -4.83 -6.30 -1.26 -1.88 118.70 105.12 1c89 s GLU 96 Ca 0.19 -0.35 -0.12 0.00 -2.50 0.00 0.00 54.97 52.19 1c89 s GLU 96 Cb -0.09 -4.73 0.02 0.00 0.00 0.00 0.00 34.13 29.33 1c89 s GLU 96 CO 0.09 -2.50 0.29 0.54 0.02 0.00 0.00 175.26 173.70 1c89 s VAL 97 N 6.94 0.11 0.25 3.70 0.11 -1.26 -4.91 120.40 125.34 1c89 s VAL 97 Ca 0.51 -0.88 0.08 0.00 -2.93 0.00 0.00 61.98 58.76 1c89 s VAL 97 Cb -0.06 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 1c89 s VAL 97 CO 0.06 -0.49 0.09 -0.94 -3.33 0.00 0.00 175.10 170.49 1c89 s SER 98 N -2.80 5.00 0.82 3.54 1.04 -1.26 -4.20 113.70 115.84 1c89 s SER 98 Ca 0.04 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 55.89 1c89 s SER 98 Cb 0.03 -1.11 0.08 0.00 0.10 0.00 0.00 66.02 65.13 1c89 s SER 98 CO -0.11 -0.01 1.13 -2.16 0.98 0.00 0.00 173.24 173.07 1c89 s PRO 99 N -3.70 1.88 -0.72 4.02 0.04 -1.26 -5.04 135.00 130.21 1c89 s PRO 99 Ca 0.32 0.38 -0.24 0.00 0.04 0.00 0.00 61.00 61.50 1c89 s PRO 99 Cb -0.07 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.61 1c89 s PRO 99 CO 0.22 -1.70 1.11 0.15 0.04 0.00 0.00 177.00 176.82 1c89 s LYS 100 N -5.33 3.19 0.00 4.56 3.01 -1.26 -4.95 119.74 118.96 1c89 s LYS 100 Ca 0.62 -0.69 0.00 0.00 -1.01 0.00 0.00 55.97 54.88 1c89 s LYS 100 Cb -0.13 -4.31 0.00 0.00 -1.01 0.00 0.00 37.83 32.38 1c89 s LYS 100 CO 0.52 -1.95 0.00 0.41 0.51 0.00 0.00 175.35 174.84 1c89 n GLY 101 N 5.43 1.81 3.40 -3.33 0.00 -1.25 -4.95 105.19 106.30 1c89 n GLY 101 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 0.11 3.82 0.89 -0.61 1.01 -0.09 -4.93 121.20 121.41 1c89 s ILE 102 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 1c89 s ILE 102 Cb 0.00 -2.74 0.13 0.00 0.01 0.00 0.00 42.46 39.86 1c89 s ILE 102 CO 0.00 0.41 1.11 -2.16 0.00 0.00 0.00 174.94 174.30 1c89 s PRO 103 N 1.22 1.28 -0.19 2.79 0.04 -1.26 -2.31 135.00 136.58 1c89 s PRO 103 Ca 0.03 0.52 -0.01 0.00 0.04 0.00 0.00 61.00 61.58 1c89 s PRO 103 Cb -0.15 -1.84 0.12 0.00 0.04 0.00 0.00 34.50 32.67 1c89 s PRO 103 CO 0.01 -2.15 2.06 0.45 0.04 0.00 0.00 177.00 177.41 1c89 n SER 104 N -3.77 6.00 0.03 6.66 2.88 -1.26 -4.22 113.62 119.94 1c89 n SER 104 Ca 0.06 -2.80 -0.22 0.00 -1.33 0.00 0.00 58.87 54.59 1c89 n SER 104 Cb 0.57 -1.10 -0.14 0.00 -0.75 0.00 0.00 64.21 62.79 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 1.35 0.31 -0.01 -1.46 4.39 -1.96 -3.37 114.58 113.82 1c89 h GLU 105 Ca 0.17 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1c89 h GLU 105 Cb 0.95 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1c89 h GLU 105 CO 0.45 1.25 -0.68 0.39 -1.16 0.00 0.00 179.01 179.27 1c89 n GLU 106 N -3.62 0.70 -0.29 2.33 1.02 -1.26 -4.36 120.64 115.16 1c89 n GLU 106 Ca -0.28 -0.58 0.16 0.00 -0.02 0.00 0.00 57.16 56.44 1c89 n GLU 106 Cb 1.03 -1.49 0.42 0.00 -0.02 0.00 0.00 31.44 31.38 1c89 n GLU 106 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c89 h ILE 107 N 1.40 0.72 -1.19 -3.67 1.08 -1.79 -0.40 117.51 113.65 1c89 h ILE 107 Ca 0.00 -0.20 0.39 0.00 -0.39 0.00 0.00 64.86 64.66 1c89 h ILE 107 Cb 0.65 0.07 -0.14 0.00 -3.07 0.00 0.00 36.82 34.33 1c89 h ILE 107 CO 0.00 0.11 0.74 0.77 -0.69 0.00 0.00 178.15 179.08 1c89 h SER 108 N 0.59 0.33 0.29 1.72 4.64 -1.82 1.10 113.55 120.40 1c89 h SER 108 Ca 0.51 0.16 -0.22 0.00 -0.47 0.00 0.00 61.79 61.76 1c89 h SER 108 Cb 1.00 0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 1c89 h SER 108 CO -0.26 -0.18 -1.91 0.29 -0.87 0.00 0.00 176.83 173.90 1c89 n LYS 109 N -4.83 0.65 -0.34 4.77 5.02 -0.20 -4.10 118.16 119.13 1c89 n LYS 109 Ca 0.35 0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.79 1c89 n LYS 109 Cb 1.27 -1.65 0.25 0.00 -0.02 0.00 0.00 35.03 34.88 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 -2.73 3.15 -4.70 -0.35 4.77 0.11 -4.94 117.00 112.31 1c89 n LEU 110 Ca -0.18 -1.58 -0.43 0.00 -0.03 0.00 0.00 56.01 53.78 1c89 n LEU 110 Cb 0.93 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1c89 n LEU 110 CO 0.44 0.69 1.35 0.52 -1.33 0.00 0.00 177.39 179.05 1c89 n VAL 111 N 0.98 0.08 -1.30 4.08 0.31 0.34 -1.29 118.33 121.52 1c89 n VAL 111 Ca 0.18 -0.01 -0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1c89 n VAL 111 Cb 0.54 -1.89 -0.00 0.00 -0.91 0.00 0.00 33.84 31.58 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 3.88 0.40 3.77 2.92 0.00 0.73 -4.90 105.19 111.99 1c89 n GLY 112 Ca 0.17 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.61 4.31 -0.06 1.61 0.00 -0.41 -4.15 119.30 117.98 1c89 s MET 113 Ca 0.00 1.72 -0.21 0.00 0.00 0.00 0.00 55.69 57.20 1c89 s MET 113 Cb 0.00 -2.82 -0.04 0.00 0.00 0.00 0.00 34.83 31.97 1c89 s MET 113 CO 0.00 -0.07 0.61 -0.65 0.00 0.00 0.00 175.02 174.92 1c89 s GLN 114 N -2.05 4.38 0.41 3.16 -0.21 -1.26 -0.86 119.66 123.23 1c89 s GLN 114 Ca 0.53 0.73 -0.08 0.00 0.02 0.00 0.00 55.36 56.56 1c89 s GLN 114 Cb -0.28 -3.42 -0.05 0.00 1.00 0.00 0.00 33.01 30.26 1c89 s GLN 114 CO 0.36 0.17 0.74 0.54 -2.12 0.00 0.00 175.29 174.98 1c89 s VAL 115 N 0.49 4.87 -1.56 1.09 0.11 -1.25 -4.79 120.40 119.36 1c89 s VAL 115 Ca 0.33 0.37 0.21 0.00 -2.93 0.00 0.00 61.98 59.96 1c89 s VAL 115 Cb -0.17 -3.78 -0.10 0.00 -1.53 0.00 0.00 36.38 30.79 1c89 s VAL 115 CO 0.16 -0.61 0.99 -3.20 -3.33 0.00 0.00 175.10 169.11 1c89 n ASN 116 N -1.58 1.56 -4.46 3.54 2.85 -1.25 -0.54 115.26 115.38 1c89 n ASN 116 Ca 0.01 -1.28 -0.22 0.00 -0.11 0.00 0.00 54.58 52.97 1c89 n ASN 116 Cb 0.54 0.70 -0.10 0.00 1.24 0.00 0.00 39.78 42.16 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1c89 s ARG 117 N -2.66 1.63 0.51 1.20 3.52 -1.25 -4.63 118.95 117.25 1c89 s ARG 117 Ca 0.14 -1.84 -0.18 0.00 -0.13 0.00 0.00 55.73 53.71 1c89 s ARG 117 Cb 0.17 -1.24 -0.08 0.00 -1.56 0.00 0.00 34.95 32.24 1c89 s ARG 117 CO 0.69 0.03 1.01 0.00 -0.81 0.00 0.00 175.30 176.22 1c89 s ALA 118 N -2.96 2.92 -0.03 6.12 0.00 -1.26 -4.02 121.76 122.53 1c89 s ALA 118 Ca 0.31 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.72 1c89 s ALA 118 Cb 0.04 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 1c89 s ALA 118 CO 0.13 -0.33 -0.14 0.08 0.00 0.00 0.00 175.76 175.50 1c89 s VAL 119 N -2.29 1.17 0.00 0.00 1.01 0.19 -4.86 120.40 115.61 1c89 s VAL 119 Ca 0.63 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1c89 s VAL 119 Cb -0.13 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1c89 s VAL 119 CO 0.26 0.34 0.00 -1.22 0.00 0.00 0.00 175.10 174.47 1c89 n TYR 120 N 3.00 -2.13 0.00 5.22 4.01 -1.26 -1.85 117.16 124.15 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 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 1c89 n TYR 120 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1c89 n LEU 121 N 0.00 0.00 -4.43 7.72 -0.00 -1.23 -3.95 117.00 115.11 1c89 n LEU 121 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 1c89 n LEU 121 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 1c89 n LEU 121 CO 0.00 0.00 1.74 -0.67 -0.00 0.00 0.00 177.39 178.46 1c89 n ASP 122 N 0.00 -0.98 -4.43 1.96 2.03 -0.64 -4.44 116.55 110.05 1c89 n ASP 122 Ca 0.00 -0.91 -0.29 0.00 0.52 0.00 0.00 54.79 54.11 1c89 n ASP 122 Cb 0.00 -0.75 -0.13 0.00 -0.72 0.00 0.00 41.12 39.52 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 7.01 1.65 0.31 -0.67 2.00 -0.72 -4.60 119.66 124.63 1c89 s GLN 123 Ca 1.02 -1.22 -0.27 0.00 -2.00 0.00 0.00 55.36 52.89 1c89 s GLN 123 Cb -0.57 -2.02 -0.09 0.00 0.80 0.00 0.00 33.01 31.13 1c89 s GLN 123 CO 0.39 0.48 0.97 0.99 -0.50 0.00 0.00 175.29 177.62 1c89 s THR 124 N -1.05 4.03 -0.12 -0.34 2.01 -1.26 0.21 115.64 119.12 1c89 s THR 124 Ca 0.15 1.80 -0.30 0.00 0.31 0.00 0.00 61.69 63.65 1c89 s THR 124 Cb -0.10 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.35 1c89 s THR 124 CO 0.07 0.24 1.08 -0.22 -0.69 0.00 0.00 174.62 175.10 1c89 s LEU 125 N -1.83 4.22 0.17 4.42 2.96 -0.48 -4.87 118.68 123.27 1c89 s LEU 125 Ca 0.48 1.59 0.07 0.00 -0.22 0.00 0.00 54.13 56.05 1c89 s LEU 125 Cb -0.22 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1c89 s LEU 125 CO 0.28 -0.55 -0.15 -0.04 -1.32 0.00 0.00 176.35 174.57 1c89 s MET 126 N 2.39 1.23 0.19 1.98 -1.94 -1.26 -0.91 119.30 120.97 1c89 s MET 126 Ca 0.50 -1.45 0.24 0.00 -1.71 0.00 0.00 55.69 53.27 1c89 s MET 126 Cb -0.20 -1.10 0.91 0.00 2.01 0.00 0.00 34.83 36.45 1c89 s MET 126 CO 0.16 0.20 1.73 -0.35 -0.01 0.00 0.00 175.02 176.75 1c89 n PRO 127 N 0.04 0.18 0.25 2.03 -0.04 -1.26 -2.84 135.00 133.35 1c89 n PRO 127 Ca -0.11 0.29 0.15 0.00 -0.04 0.00 0.00 63.50 63.78 1c89 n PRO 127 Cb 0.59 -1.77 0.48 0.00 -0.04 0.00 0.00 33.50 32.75 1c89 n PRO 127 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1c89 h ASP 128 N 0.00 0.00 0.06 3.54 1.82 -1.96 -3.25 116.42 116.63 1c89 h ASP 128 Ca 0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 1c89 h ASP 128 Cb 0.49 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.51 1c89 h ASP 128 CO 0.00 0.03 -0.53 -0.03 -1.61 0.00 0.00 179.24 177.10 1c89 h MET 129 N 0.00 0.13 -6.11 0.28 4.05 -1.96 -3.45 114.93 107.88 1c89 h MET 129 Ca -0.00 -0.23 -0.56 0.00 -0.28 0.00 0.00 59.70 58.63 1c89 h MET 129 Cb 0.72 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.55 1c89 h MET 129 CO 0.00 1.11 0.03 0.08 0.23 0.00 0.00 176.91 178.36 1c89 s VAL 130 N -2.33 4.89 0.00 -5.77 1.01 -1.23 -3.91 120.40 113.06 1c89 s VAL 130 Ca -0.18 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1c89 s VAL 130 Cb -0.00 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1c89 s VAL 130 CO 0.74 0.39 0.25 0.29 0.00 0.00 0.00 175.10 176.77 1c89 n LYS 131 N 2.86 0.00 -2.29 2.72 4.76 -1.26 -4.23 118.16 120.73 1c89 n LYS 131 Ca -0.05 0.02 -0.41 0.00 -2.87 0.00 0.00 58.31 54.99 1c89 n LYS 131 Cb 0.51 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.95 1c89 n LYS 131 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1c89 n ASN 132 N -0.56 7.16 -4.82 4.39 4.13 -1.26 -4.99 115.26 119.30 1c89 n ASN 132 Ca 0.00 -3.27 -0.32 0.00 1.68 0.00 0.00 54.58 52.67 1c89 n ASN 132 Cb 0.00 -1.34 -0.01 0.00 -1.54 0.00 0.00 39.78 36.90 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1c89 s TYR 133 N -1.63 3.23 -2.73 3.10 1.13 -1.26 -5.21 117.35 113.98 1c89 s TYR 133 Ca 0.46 1.48 0.22 0.00 -1.41 0.00 0.00 57.07 57.81 1c89 s TYR 133 Cb 0.15 -2.89 0.17 0.00 -1.10 0.00 0.00 41.96 38.29 1c89 s TYR 133 CO -0.06 -0.78 1.19 0.39 -2.51 0.00 0.00 175.55 173.78