#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 -0.30 0.38 1.20 1.02 -1.26 -4.98 119.74 115.80 1c89 s LYS 2 Ca 0.00 -0.42 -0.26 0.00 0.02 0.00 0.00 55.97 55.31 1c89 s LYS 2 Cb 0.00 -1.74 -0.09 0.00 -0.52 0.00 0.00 37.83 35.49 1c89 s LYS 2 CO 0.00 -3.04 1.19 0.00 -0.92 0.00 0.00 175.35 172.57 1c89 s ALA 3 N -3.65 3.21 0.30 5.17 0.00 -1.26 -4.66 121.76 120.87 1c89 s ALA 3 Ca 0.75 1.01 0.08 0.00 0.00 0.00 0.00 51.96 53.80 1c89 s ALA 3 Cb -0.04 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1c89 s ALA 3 CO 0.54 -0.53 0.20 -1.54 0.00 0.00 0.00 175.76 174.44 1c89 s SER 4 N -1.03 5.22 -0.81 0.00 1.04 0.34 -4.04 113.70 114.42 1c89 s SER 4 Ca 0.55 -0.45 -0.23 0.00 0.48 0.00 0.00 55.95 56.30 1c89 s SER 4 Cb -0.32 -1.09 0.06 0.00 0.10 0.00 0.00 66.02 64.77 1c89 s SER 4 CO 0.41 -0.18 1.19 -0.69 0.98 0.00 0.00 173.24 174.95 1c89 s VAL 5 N -2.26 4.13 -0.31 5.02 1.01 -0.59 -0.49 120.40 126.91 1c89 s VAL 5 Ca 0.36 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 1c89 s VAL 5 Cb -0.06 -4.86 0.04 0.00 0.00 0.00 0.00 36.38 31.50 1c89 s VAL 5 CO 0.25 -1.69 0.05 -0.69 0.00 0.00 0.00 175.10 173.01 1c89 s VAL 6 N 4.52 3.44 -0.04 2.92 1.01 0.52 -1.82 120.40 130.94 1c89 s VAL 6 Ca 0.33 -1.13 -0.36 0.00 0.00 0.00 0.00 61.98 60.82 1c89 s VAL 6 Cb -0.08 -2.90 -0.14 0.00 0.00 0.00 0.00 36.38 33.25 1c89 s VAL 6 CO 0.04 -0.07 1.65 0.00 0.00 0.00 0.00 175.10 176.72 1c89 n ALA 7 N 4.74 0.26 0.10 5.51 0.00 0.51 -3.19 120.51 128.44 1c89 n ALA 7 Ca -0.14 0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.50 1c89 n ALA 7 Cb 0.45 -2.29 -0.15 0.00 0.00 0.00 0.00 19.45 17.46 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 6.87 0.61 -1.99 0.00 -0.73 -1.85 0.84 115.58 119.33 1c89 h ASN 8 Ca -0.47 -0.76 -0.47 0.00 1.87 0.00 0.00 56.30 56.46 1c89 h ASN 8 Cb 1.30 -0.20 0.09 0.00 0.27 0.00 0.00 38.32 39.77 1c89 h ASN 8 CO 0.90 1.62 0.12 0.00 -0.37 0.00 0.00 177.43 179.70 1c89 s GLN 9 N -2.61 1.53 -0.01 6.67 -2.07 -1.26 -1.17 119.66 120.74 1c89 s GLN 9 Ca -0.10 -1.21 -0.21 0.00 -1.82 0.00 0.00 55.36 52.02 1c89 s GLN 9 Cb 0.06 -2.32 -0.05 0.00 -1.09 0.00 0.00 33.01 29.61 1c89 s GLN 9 CO 0.89 -1.56 0.60 -1.17 -1.32 0.00 0.00 175.29 172.72 1c89 s LEU 10 N -5.19 4.40 -0.16 2.60 0.20 -1.26 -3.98 118.68 115.29 1c89 s LEU 10 Ca 0.68 1.15 -0.03 0.00 0.69 0.00 0.00 54.13 56.62 1c89 s LEU 10 Cb -0.04 -2.92 -0.02 0.00 -0.43 0.00 0.00 46.19 42.78 1c89 s LEU 10 CO 0.45 0.08 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.90 1c89 s ILE 11 N -0.09 3.59 0.00 6.68 1.01 0.58 -4.94 121.20 128.03 1c89 s ILE 11 Ca 0.31 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1c89 s ILE 11 Cb -0.18 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.73 1c89 s ILE 11 CO 0.17 0.49 0.00 -0.81 0.00 0.00 0.00 174.94 174.79 1c89 n PRO 12 N 3.72 0.75 -2.89 2.79 -0.04 -1.26 0.26 135.00 138.33 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 -0.01 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.17 4.94 -0.58 0.52 1.09 -1.26 -4.20 121.20 121.55 1c89 s ILE 13 Ca 0.00 0.11 -0.12 0.00 -1.10 0.00 0.00 60.65 59.54 1c89 s ILE 13 Cb 0.00 -3.83 0.02 0.00 -1.06 0.00 0.00 42.46 37.59 1c89 s ILE 13 CO 0.00 -0.69 0.52 -0.46 -0.10 0.00 0.00 174.94 174.22 1c89 n ASN 14 N -1.88 -4.22 -3.71 3.58 0.23 -0.76 -4.84 115.26 103.66 1c89 n ASN 14 Ca -0.01 -0.58 -0.18 0.00 -0.53 0.00 0.00 54.58 53.29 1c89 n ASN 14 Cb 0.55 -1.33 -0.17 0.00 -2.08 0.00 0.00 39.78 36.75 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 -2.24 -0.11 -0.92 5.53 2.01 -1.26 -4.82 115.64 113.83 1c89 s THR 15 Ca 0.12 0.34 -0.24 0.00 0.31 0.00 0.00 61.69 62.22 1c89 s THR 15 Cb -0.01 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.37 1c89 s THR 15 CO 0.75 0.14 1.56 0.00 -0.69 0.00 0.00 174.62 176.38 1c89 s ALA 16 N 1.79 2.45 0.88 7.40 0.00 -1.24 -3.51 121.76 129.53 1c89 s ALA 16 Ca -0.00 -1.83 -0.13 0.00 0.00 0.00 0.00 51.96 50.00 1c89 s ALA 16 Cb -0.12 -4.47 0.03 0.00 0.00 0.00 0.00 23.12 18.55 1c89 s ALA 16 CO -0.03 -3.84 0.54 1.28 0.00 0.00 0.00 175.76 173.70 1c89 n LEU 17 N 10.35 0.58 0.00 0.00 4.77 -1.07 -4.29 117.00 127.35 1c89 n LEU 17 Ca 0.28 0.42 -0.31 0.00 -0.03 0.00 0.00 56.01 56.37 1c89 n LEU 17 Cb 0.50 -1.25 -0.06 0.00 -2.33 0.00 0.00 43.42 40.28 1c89 n LEU 17 CO 0.66 -3.28 -0.20 0.35 -1.33 0.00 0.00 177.39 173.59 1c89 n THR 18 N -3.31 0.00 0.21 -5.08 -2.24 -1.26 0.23 114.28 102.83 1c89 n THR 18 Ca 0.08 -2.29 0.05 0.00 -2.27 0.00 0.00 64.05 59.62 1c89 n THR 18 Cb 0.52 0.41 0.48 0.00 -2.10 0.00 0.00 70.33 69.65 1c89 n THR 18 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1c89 h LEU 19 N 0.00 0.03 -0.18 3.22 3.38 -1.95 -2.29 115.31 117.52 1c89 h LEU 19 Ca -0.40 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 1c89 h LEU 19 Cb 1.23 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1c89 h LEU 19 CO 0.66 0.21 -0.10 0.40 0.09 0.00 0.00 178.44 179.70 1c89 h ILE 20 N 0.03 1.31 0.00 1.22 5.03 -2.02 -2.74 117.51 120.34 1c89 h ILE 20 Ca 0.00 -1.17 0.00 0.00 -0.12 0.00 0.00 64.86 63.57 1c89 h ILE 20 Cb 0.34 1.70 0.00 0.00 -3.03 0.00 0.00 36.82 35.83 1c89 h ILE 20 CO 0.02 0.35 0.00 0.23 -0.68 0.00 0.00 178.15 178.08 1c89 n MET 21 N -4.58 0.09 -3.21 2.37 2.81 -1.08 -4.58 117.12 108.94 1c89 n MET 21 Ca -0.05 0.29 -0.41 0.00 -1.81 0.00 0.00 57.70 55.71 1c89 n MET 21 Cb 0.32 -1.65 -0.07 0.00 -0.71 0.00 0.00 33.22 31.11 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 -3.12 3.65 -0.24 0.03 1.75 -0.88 -3.16 119.30 117.33 1c89 s MET 22 Ca 0.07 -0.09 -0.05 0.00 -1.25 0.00 0.00 55.69 54.37 1c89 s MET 22 Cb 0.10 -3.80 -0.00 0.00 2.84 0.00 0.00 34.83 33.97 1c89 s MET 22 CO 0.36 -0.66 -0.01 0.15 -0.65 0.00 0.00 175.02 174.21 1c89 s LYS 23 N 2.47 3.31 -1.24 4.11 -0.14 -1.19 -4.92 119.74 122.14 1c89 s LYS 23 Ca 0.20 -0.68 -0.18 0.00 -1.36 0.00 0.00 55.97 53.96 1c89 s LYS 23 Cb -0.15 -3.11 0.09 0.00 -1.68 0.00 0.00 37.83 32.98 1c89 s LYS 23 CO 0.13 -0.26 1.62 0.00 -0.76 0.00 0.00 175.35 176.09 1c89 s ALA 24 N 1.49 3.40 0.07 5.17 0.00 -1.25 -0.35 121.76 130.28 1c89 s ALA 24 Ca 0.05 -2.93 0.02 0.00 0.00 0.00 0.00 51.96 49.09 1c89 s ALA 24 Cb -0.15 -4.51 -0.04 0.00 0.00 0.00 0.00 23.12 18.42 1c89 s ALA 24 CO -0.02 -3.22 0.13 -2.00 0.00 0.00 0.00 175.76 170.66 1c89 s GLU 25 N 3.72 3.12 -0.83 0.00 2.12 0.36 -4.49 118.70 122.69 1c89 s GLU 25 Ca 0.50 -0.58 -0.20 0.00 0.36 0.00 0.00 54.97 55.05 1c89 s GLU 25 Cb 0.02 -2.86 0.10 0.00 0.26 0.00 0.00 34.13 31.65 1c89 s GLU 25 CO 0.04 0.59 1.08 0.08 -0.54 0.00 0.00 175.26 176.50 1c89 s VAL 26 N -1.44 4.55 0.03 3.70 1.01 -1.26 0.13 120.40 127.12 1c89 s VAL 26 Ca 0.32 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1c89 s VAL 26 Cb -0.13 -4.75 -0.02 0.00 0.00 0.00 0.00 36.38 31.48 1c89 s VAL 26 CO 0.24 -1.50 -0.01 0.68 0.00 0.00 0.00 175.10 174.52 1c89 s VAL 27 N 3.28 0.14 0.13 2.92 -7.23 -1.26 -4.96 120.40 113.41 1c89 s VAL 27 Ca 0.29 -1.12 0.05 0.00 -1.81 0.00 0.00 61.98 59.38 1c89 s VAL 27 Cb -0.09 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 1c89 s VAL 27 CO -0.02 -0.62 0.09 0.28 -0.31 0.00 0.00 175.10 174.52 1c89 s THR 28 N -2.15 4.37 0.44 5.32 -1.32 -1.26 -3.46 115.64 117.58 1c89 s THR 28 Ca -0.09 -1.00 -0.22 0.00 -1.21 0.00 0.00 61.69 59.17 1c89 s THR 28 Cb -0.05 -3.17 -0.09 0.00 -1.51 0.00 0.00 72.50 67.68 1c89 s THR 28 CO -0.03 -0.00 1.01 -2.16 -2.21 0.00 0.00 174.62 171.23 1c89 s PRO 29 N -2.75 4.06 -0.44 7.08 0.04 -1.26 -5.07 135.00 136.66 1c89 s PRO 29 Ca 0.29 1.35 -0.28 0.00 0.04 0.00 0.00 61.00 62.40 1c89 s PRO 29 Cb -0.11 -2.30 -0.00 0.00 0.04 0.00 0.00 34.50 32.13 1c89 s PRO 29 CO 0.22 -0.20 1.58 0.00 0.04 0.00 0.00 177.00 178.64 1c89 s MET 30 N -2.92 3.34 0.00 4.56 0.23 -1.22 -4.96 119.30 118.33 1c89 s MET 30 Ca 0.62 0.95 0.00 0.00 -1.03 0.00 0.00 55.69 56.23 1c89 s MET 30 Cb -0.16 -4.14 0.00 0.00 -1.53 0.00 0.00 34.83 29.00 1c89 s MET 30 CO 0.21 -1.86 0.00 0.41 -2.03 0.00 0.00 175.02 171.75 1c89 n GLY 31 N 5.29 0.76 3.67 3.16 0.00 -1.26 -4.89 105.19 111.91 1c89 n GLY 31 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 1.27 3.16 0.97 -0.61 -1.09 -0.69 -4.88 121.20 119.34 1c89 s ILE 32 Ca 0.00 0.32 -0.13 0.00 -2.23 0.00 0.00 60.65 58.61 1c89 s ILE 32 Cb 0.00 -3.21 0.17 0.00 -1.58 0.00 0.00 42.46 37.85 1c89 s ILE 32 CO 0.00 -0.02 1.12 -2.16 -1.23 0.00 0.00 174.94 172.65 1c89 s PRO 33 N 3.90 0.65 0.00 2.79 0.04 -1.26 -1.55 135.00 139.57 1c89 s PRO 33 Ca 0.81 0.35 0.19 0.00 0.04 0.00 0.00 61.00 62.39 1c89 s PRO 33 Cb -0.39 -1.78 1.16 0.00 0.04 0.00 0.00 34.50 33.53 1c89 s PRO 33 CO 0.36 -2.54 1.69 0.00 0.04 0.00 0.00 177.00 176.54 1c89 n ALA 34 N -4.02 2.53 -0.11 8.56 0.00 -1.26 -3.69 120.51 122.52 1c89 n ALA 34 Ca 0.06 -0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1c89 n ALA 34 Cb 0.58 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 0.00 0.53 -0.85 0.00 5.08 -1.93 -2.47 114.58 114.94 1c89 h GLU 35 Ca 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1c89 h GLU 35 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1c89 h GLU 35 CO 0.00 0.62 0.00 0.39 -1.00 0.00 0.00 179.01 179.02 1c89 n GLU 36 N -4.61 1.88 0.05 2.33 4.71 -1.24 -4.41 120.64 119.34 1c89 n GLU 36 Ca -0.02 -0.73 -0.15 0.00 -0.01 0.00 0.00 57.16 56.25 1c89 n GLU 36 Cb 0.21 -1.64 -0.10 0.00 -1.01 0.00 0.00 31.44 28.90 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 0.94 0.00 0.00 -3.67 1.08 -1.66 1.22 117.51 115.42 1c89 h ILE 37 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1c89 h ILE 37 Cb 0.81 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1c89 h ILE 37 CO 0.11 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.76 1c89 n PRO 38 N -5.33 0.17 -0.06 2.37 -0.04 -1.26 -1.16 135.00 129.69 1c89 n PRO 38 Ca -0.07 0.18 -0.06 0.00 -0.04 0.00 0.00 63.50 63.50 1c89 n PRO 38 Cb 0.38 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.29 1.47 0.00 3.54 3.02 0.92 -4.50 115.26 118.42 1c89 n ASN 39 Ca 0.06 0.25 0.12 0.00 -0.03 0.00 0.00 54.58 54.98 1c89 n ASN 39 Cb 0.10 -0.65 0.73 0.00 -0.61 0.00 0.00 39.78 39.35 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 -3.97 0.00 -4.70 3.41 4.77 0.38 -4.84 117.00 112.05 1c89 n LEU 40 Ca -0.10 0.01 -0.38 0.00 -0.03 0.00 0.00 56.01 55.50 1c89 n LEU 40 Cb 0.37 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1c89 n LEU 40 CO 0.15 -0.00 0.82 0.52 -1.33 0.00 0.00 177.39 177.55 1c89 n VAL 41 N -1.01 3.93 -1.47 4.08 0.31 -0.31 -1.50 118.33 122.37 1c89 n VAL 41 Ca 0.18 -0.50 -0.16 0.00 -0.01 0.00 0.00 64.34 63.85 1c89 n VAL 41 Cb 0.09 -1.46 -0.07 0.00 -0.91 0.00 0.00 33.84 31.49 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 0.96 1.60 3.75 2.92 0.00 0.62 -4.89 105.19 110.15 1c89 n GLY 42 Ca 0.12 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.34 4.79 0.11 1.61 0.00 -0.56 -4.10 119.30 117.82 1c89 s MET 43 Ca 0.00 1.42 -0.22 0.00 0.00 0.00 0.00 55.69 56.89 1c89 s MET 43 Cb 0.00 -3.29 -0.07 0.00 0.00 0.00 0.00 34.83 31.47 1c89 s MET 43 CO 0.00 0.49 0.67 -0.65 0.00 0.00 0.00 175.02 175.53 1c89 s GLN 44 N -1.01 4.38 0.62 3.16 -0.21 -1.23 -2.58 119.66 122.78 1c89 s GLN 44 Ca 0.41 0.94 -0.03 0.00 0.02 0.00 0.00 55.36 56.70 1c89 s GLN 44 Cb -0.25 -3.25 0.04 0.00 1.00 0.00 0.00 33.01 30.55 1c89 s GLN 44 CO 0.31 0.60 0.89 0.14 -2.12 0.00 0.00 175.29 175.11 1c89 s VAL 45 N -1.10 2.60 -0.13 1.09 -7.23 -1.24 -4.43 120.40 109.96 1c89 s VAL 45 Ca 0.32 -0.43 0.21 0.00 -1.81 0.00 0.00 61.98 60.27 1c89 s VAL 45 Cb -0.21 -3.05 -0.18 0.00 0.56 0.00 0.00 36.38 33.50 1c89 s VAL 45 CO 0.22 -0.05 0.70 -3.20 -0.31 0.00 0.00 175.10 172.47 1c89 n ASN 46 N -2.62 0.46 -4.09 4.85 2.85 -1.25 -1.83 115.26 113.63 1c89 n ASN 46 Ca 0.07 0.19 -0.10 0.00 -0.11 0.00 0.00 54.58 54.63 1c89 n ASN 46 Cb 0.60 1.01 -0.09 0.00 1.24 0.00 0.00 39.78 42.53 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 -3.24 1.03 0.29 1.20 1.70 -1.26 -4.73 118.95 113.93 1c89 s ARG 47 Ca -0.05 -1.36 -0.29 0.00 -0.47 0.00 0.00 55.73 53.56 1c89 s ARG 47 Cb 0.11 0.29 -0.10 0.00 -0.57 0.00 0.00 34.95 34.68 1c89 s ARG 47 CO 0.84 -0.33 1.38 0.00 -1.08 0.00 0.00 175.30 176.12 1c89 s ALA 48 N -4.03 3.56 -0.06 7.88 0.00 -1.26 -4.47 121.76 123.38 1c89 s ALA 48 Ca 0.23 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.52 1c89 s ALA 48 Cb 0.06 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1c89 s ALA 48 CO 0.02 -0.71 -0.12 0.08 0.00 0.00 0.00 175.76 175.03 1c89 s VAL 49 N -0.55 3.28 0.65 0.00 1.01 0.74 -4.96 120.40 120.58 1c89 s VAL 49 Ca 0.54 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 1c89 s VAL 49 Cb -0.41 -2.31 0.16 0.00 0.00 0.00 0.00 36.38 33.82 1c89 s VAL 49 CO 0.48 0.59 0.63 -0.81 0.00 0.00 0.00 175.10 175.99 1c89 n PRO 50 N 2.39 -1.91 -2.87 2.72 -0.04 -1.26 -0.31 135.00 133.71 1c89 n PRO 50 Ca -0.17 -0.99 -0.37 0.00 -0.04 0.00 0.00 63.50 61.92 1c89 n PRO 50 Cb 0.52 -0.87 -0.06 0.00 -0.04 0.00 0.00 33.50 33.05 1c89 n PRO 50 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1c89 s LEU 51 N 0.00 4.41 -1.33 1.53 1.02 -1.26 -3.68 118.68 119.37 1c89 s LEU 51 Ca 0.40 1.73 -0.02 0.00 0.02 0.00 0.00 54.13 56.26 1c89 s LEU 51 Cb -0.03 -3.79 0.00 0.00 0.02 0.00 0.00 46.19 42.39 1c89 s LEU 51 CO 0.30 0.01 0.27 0.61 0.02 0.00 0.00 176.35 177.56 1c89 n GLY 52 N 0.82 -0.30 3.70 -3.19 0.00 0.27 -4.93 105.19 101.56 1c89 n GLY 52 Ca -0.00 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.95 5.01 0.58 2.61 2.01 0.26 -4.76 115.64 118.39 1c89 s THR 53 Ca 0.14 1.44 -0.18 0.00 0.31 0.00 0.00 61.69 63.40 1c89 s THR 53 Cb -0.06 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1c89 s THR 53 CO 0.17 0.19 1.10 0.28 -0.69 0.00 0.00 174.62 175.67 1c89 s THR 54 N 1.22 3.35 -1.18 -0.82 -1.32 -1.26 -0.36 115.64 115.27 1c89 s THR 54 Ca 0.36 0.75 -0.22 0.00 -1.21 0.00 0.00 61.69 61.37 1c89 s THR 54 Cb -0.17 -3.26 -0.05 0.00 -1.51 0.00 0.00 72.50 67.50 1c89 s THR 54 CO 0.16 -0.28 1.88 -0.76 -2.21 0.00 0.00 174.62 173.42 1c89 s LEU 55 N -4.19 3.23 0.32 9.08 2.01 -0.76 -4.83 118.68 123.53 1c89 s LEU 55 Ca 0.69 -1.73 -0.13 0.00 0.01 0.00 0.00 54.13 52.97 1c89 s LEU 55 Cb -0.21 -2.58 -0.08 0.00 0.01 0.00 0.00 46.19 43.33 1c89 s LEU 55 CO 0.32 -2.64 0.70 -0.04 1.01 0.00 0.00 176.35 175.69 1c89 s MET 56 N 6.04 3.90 0.29 1.70 -1.94 -1.26 -1.70 119.30 126.34 1c89 s MET 56 Ca 0.65 0.52 0.25 0.00 -1.71 0.00 0.00 55.69 55.41 1c89 s MET 56 Cb -0.00 -2.48 0.97 0.00 2.01 0.00 0.00 34.83 35.33 1c89 s MET 56 CO 0.10 0.16 1.76 -1.00 -0.01 0.00 0.00 175.02 176.03 1c89 h PRO 57 N 2.11 0.00 0.04 2.03 0.13 -1.92 -2.38 132.00 132.01 1c89 h PRO 57 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 1c89 h PRO 57 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1c89 h PRO 57 CO 0.66 0.00 -1.02 0.22 -0.23 0.00 0.00 178.00 177.63 1c89 h ASP 58 N 0.00 0.48 -0.53 1.44 3.58 -1.97 -3.24 116.42 116.19 1c89 h ASP 58 Ca 0.00 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 57.03 1c89 h ASP 58 Cb 0.49 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.39 1c89 h ASP 58 CO 0.00 1.24 0.00 0.23 -2.88 0.00 0.00 179.24 177.83 1c89 n MET 59 N -3.68 2.60 -4.24 0.28 0.00 -1.15 -4.90 117.12 106.03 1c89 n MET 59 Ca -0.07 -2.37 -0.34 0.00 0.00 0.00 0.00 57.70 54.92 1c89 n MET 59 Cb 0.88 -1.47 -0.13 0.00 0.00 0.00 0.00 33.22 32.49 1c89 n MET 59 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1c89 s VAL 60 N -1.12 3.51 0.00 2.03 1.01 -0.91 -3.75 120.40 121.17 1c89 s VAL 60 Ca 0.39 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1c89 s VAL 60 Cb 0.21 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1c89 s VAL 60 CO 0.28 0.46 0.00 1.17 0.00 0.00 0.00 175.10 177.01 1c89 n LYS 61 N 4.15 2.54 -1.81 2.72 4.81 -1.26 -4.59 118.16 124.71 1c89 n LYS 61 Ca -0.18 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.84 1c89 n LYS 61 Cb 0.52 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.56 1c89 n LYS 61 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1c89 n ASN 62 N 0.00 3.88 0.00 3.14 5.03 -1.26 -4.87 115.26 121.18 1c89 n ASN 62 Ca 0.00 -2.83 0.00 0.00 0.87 0.00 0.00 54.58 52.62 1c89 n ASN 62 Cb 0.00 -1.62 0.00 0.00 -1.02 0.00 0.00 39.78 37.14 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1c89 n TYR 63 N 6.82 0.00 -1.60 3.10 0.18 -1.26 -4.91 117.16 119.49 1c89 n TYR 63 Ca 0.51 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.29 1c89 n TYR 63 Cb 0.40 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.36 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 0.00 0.00 0.00 -3.48 1.02 -1.26 -4.87 120.64 112.05 1c89 n GLU 64 Ca 0.00 -0.11 0.13 0.00 -0.02 0.00 0.00 57.16 57.16 1c89 n GLU 64 Cb 0.00 -0.20 0.41 0.00 -0.02 0.00 0.00 31.44 31.63 1c89 n GLU 64 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1c89 n ASP 65 N 0.00 0.43 0.01 1.62 -0.08 -1.26 -3.73 116.55 113.54 1c89 n ASP 65 Ca 0.00 -0.19 0.04 0.00 -1.51 0.00 0.00 54.79 53.13 1c89 n ASP 65 Cb 0.39 0.01 -0.11 0.00 2.34 0.00 0.00 41.12 43.75 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1c89 n GLY 66 N 1.45 -1.15 2.51 0.27 0.00 -1.26 -4.50 105.19 102.51 1c89 n GLY 66 Ca 0.08 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1c89 n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1c89 n THR 67 N -2.64 3.17 0.00 2.61 -1.04 -1.23 -4.36 114.28 110.80 1c89 n THR 67 Ca -0.10 -1.91 0.00 0.00 -2.04 0.00 0.00 64.05 59.99 1c89 n THR 67 Cb 0.77 -2.33 0.00 0.00 -1.82 0.00 0.00 70.33 66.94 1c89 n THR 67 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1c89 n THR 68 N 4.01 0.00 -3.02 12.58 -2.24 -1.26 -5.03 114.28 119.31 1c89 n THR 68 Ca 0.58 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.97 1c89 n THR 68 Cb 0.18 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.21 7.33 0.00 3.42 0.01 -1.26 -5.03 113.70 117.96 1c89 s SER 69 Ca 0.00 1.58 0.00 0.00 1.31 0.00 0.00 55.95 58.84 1c89 s SER 69 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1c89 s SER 69 CO 0.00 0.21 0.00 -0.81 0.41 0.00 0.00 173.24 173.05 1c89 n PRO 70 N 1.69 2.03 0.00 12.44 -0.04 -1.26 -4.61 135.00 145.25 1c89 n PRO 70 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1c89 n PRO 70 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 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 3.69 2.01 2.36 0.55 0.00 -1.26 -4.67 105.19 107.87 1c89 n GLY 71 Ca 0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.62 0.99 4.77 -1.26 -4.92 117.00 118.62 1c89 n LEU 72 Ca 0.00 -4.04 -0.43 0.00 -0.03 0.00 0.00 56.01 51.51 1c89 n LEU 72 Cb 0.00 -1.32 -0.02 0.00 -2.33 0.00 0.00 43.42 39.75 1c89 n LEU 72 CO 0.00 1.81 1.02 -0.54 -1.33 0.00 0.00 177.39 178.35 1c89 s LYS 73 N -0.71 3.88 0.14 3.23 1.02 -1.26 -3.84 119.74 122.20 1c89 s LYS 73 Ca 0.61 0.87 0.02 0.00 0.02 0.00 0.00 55.97 57.48 1c89 s LYS 73 Cb 0.32 -3.84 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 1c89 s LYS 73 CO -0.14 -1.16 0.28 -1.54 -0.92 0.00 0.00 175.35 171.87 1c89 s SER 74 N 2.23 6.35 0.13 2.83 1.04 -0.06 -4.06 113.70 122.16 1c89 s SER 74 Ca 0.48 0.22 -0.31 0.00 0.48 0.00 0.00 55.95 56.82 1c89 s SER 74 Cb -0.11 -1.93 -0.08 0.00 0.10 0.00 0.00 66.02 64.00 1c89 s SER 74 CO 0.24 0.06 1.41 -0.69 0.98 0.00 0.00 173.24 175.24 1c89 s VAL 75 N -1.72 3.20 -0.04 5.02 1.01 -0.42 -1.05 120.40 126.40 1c89 s VAL 75 Ca 0.35 0.87 0.03 0.00 0.00 0.00 0.00 61.98 63.23 1c89 s VAL 75 Cb -0.11 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1c89 s VAL 75 CO 0.28 0.07 -0.11 -0.69 0.00 0.00 0.00 175.10 174.66 1c89 s VAL 76 N 1.03 0.95 -0.85 2.92 1.01 -0.60 0.12 120.40 124.99 1c89 s VAL 76 Ca 0.65 -0.42 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 1c89 s VAL 76 Cb -0.38 -0.86 0.06 0.00 0.00 0.00 0.00 36.38 35.20 1c89 s VAL 76 CO 0.31 0.30 1.25 0.00 0.00 0.00 0.00 175.10 176.96 1c89 s ALA 77 N 0.38 2.90 0.57 5.51 0.00 0.13 0.81 121.76 132.07 1c89 s ALA 77 Ca -0.07 -1.97 0.27 0.00 0.00 0.00 0.00 51.96 50.18 1c89 s ALA 77 Cb -0.12 -4.24 1.65 0.00 0.00 0.00 0.00 23.12 20.41 1c89 s ALA 77 CO 0.02 -3.25 2.17 -2.95 0.00 0.00 0.00 175.76 171.74 1c89 h ASN 78 N 9.68 0.00 -3.58 0.00 7.08 -1.79 -1.28 115.58 125.68 1c89 h ASN 78 Ca -0.06 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.14 1c89 h ASN 78 Cb 1.04 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.27 1c89 h ASN 78 CO 1.28 0.00 -0.01 0.00 -2.08 0.00 0.00 177.43 176.62 1c89 n GLN 79 N -3.98 1.48 -4.04 4.14 6.02 -1.26 -2.51 117.38 117.22 1c89 n GLN 79 Ca -0.01 -0.15 -0.34 0.00 -0.01 0.00 0.00 57.00 56.49 1c89 n GLN 79 Cb 0.20 0.02 -0.10 0.00 1.02 0.00 0.00 30.24 31.38 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 3.75 -0.09 1.08 0.20 -1.24 -3.55 118.68 118.82 1c89 s LEU 80 Ca 0.01 0.05 0.04 0.00 0.69 0.00 0.00 54.13 54.93 1c89 s LEU 80 Cb -0.00 -1.94 0.00 0.00 -0.43 0.00 0.00 46.19 43.82 1c89 s LEU 80 CO 0.01 0.17 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.38 1c89 s ILE 81 N 0.39 1.93 0.55 6.68 1.01 -0.73 -4.97 121.20 126.07 1c89 s ILE 81 Ca 0.02 -0.95 -0.18 0.00 0.00 0.00 0.00 60.65 59.54 1c89 s ILE 81 Cb -0.13 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 1c89 s ILE 81 CO 0.01 0.53 1.09 -2.16 0.00 0.00 0.00 174.94 174.41 1c89 s PRO 82 N 0.37 3.39 0.67 2.79 0.04 -1.26 -0.33 135.00 140.66 1c89 s PRO 82 Ca -0.18 1.44 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 1c89 s PRO 82 Cb -0.18 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 1c89 s PRO 82 CO 0.08 -0.79 0.09 -0.89 0.04 0.00 0.00 177.00 175.53 1c89 n ILE 83 N -1.50 0.91 -3.32 0.56 5.41 -1.26 -3.47 119.36 116.70 1c89 n ILE 83 Ca 0.10 -0.46 -0.22 0.00 1.00 0.00 0.00 62.75 63.17 1c89 n ILE 83 Cb 0.52 -0.35 0.02 0.00 -0.71 0.00 0.00 39.64 39.11 1c89 n ILE 83 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1c89 n ASN 84 N 1.38 -6.39 -3.58 4.38 2.85 0.16 -4.91 115.26 109.14 1c89 n ASN 84 Ca 0.08 -0.12 -0.19 0.00 -0.11 0.00 0.00 54.58 54.23 1c89 n ASN 84 Cb 0.50 -3.24 -0.15 0.00 1.24 0.00 0.00 39.78 38.13 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1c89 s THR 85 N -2.33 -0.27 -0.89 -0.44 2.01 -1.23 -4.78 115.64 107.72 1c89 s THR 85 Ca 0.21 0.06 -0.28 0.00 0.31 0.00 0.00 61.69 62.00 1c89 s THR 85 Cb -0.03 -0.51 -0.26 0.00 0.01 0.00 0.00 72.50 71.70 1c89 s THR 85 CO 0.83 -0.08 2.01 0.00 -0.69 0.00 0.00 174.62 176.70 1c89 n ALA 86 N 5.32 0.41 -1.77 7.40 0.00 -1.25 -3.72 120.51 126.90 1c89 n ALA 86 Ca -0.05 -2.36 -0.39 0.00 0.00 0.00 0.00 53.44 50.63 1c89 n ALA 86 Cb 0.50 -3.43 -0.04 0.00 0.00 0.00 0.00 19.45 16.47 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 13.82 4.37 0.00 0.00 2.34 -0.87 -4.53 118.68 133.81 1c89 s LEU 87 Ca 0.79 2.23 0.00 0.00 0.06 0.00 0.00 54.13 57.21 1c89 s LEU 87 Cb -0.01 -3.85 0.00 0.00 -0.56 0.00 0.00 46.19 41.77 1c89 s LEU 87 CO 0.22 -0.35 0.00 0.35 -1.06 0.00 0.00 176.35 175.52 1c89 n THR 88 N 0.63 0.00 0.09 5.48 -2.24 -1.26 0.26 114.28 117.25 1c89 n THR 88 Ca 0.02 -1.24 0.19 0.00 -2.27 0.00 0.00 64.05 60.75 1c89 n THR 88 Cb 0.46 0.24 0.75 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.26 3.22 -0.00 -1.93 -2.39 115.31 114.47 1c89 h LEU 89 Ca -0.22 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.67 1c89 h LEU 89 Cb 0.66 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.29 1c89 h LEU 89 CO 0.36 0.00 -0.42 0.58 -0.00 0.00 0.00 178.44 178.97 1c89 h VAL 90 N 0.00 0.16 -0.16 0.15 2.07 -2.01 -1.40 116.25 115.07 1c89 h VAL 90 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1c89 h VAL 90 Cb 0.86 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 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 -5.48 1.41 -4.16 1.57 2.81 -0.93 -4.80 117.12 107.53 1c89 n MET 91 Ca -0.09 -0.63 -0.34 0.00 -1.81 0.00 0.00 57.70 54.83 1c89 n MET 91 Cb 0.39 -1.18 -0.11 0.00 -0.71 0.00 0.00 33.22 31.62 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 -1.79 3.85 -0.53 0.03 0.23 -0.53 -3.64 119.30 116.93 1c89 s MET 92 Ca 0.15 -0.41 0.04 0.00 -1.03 0.00 0.00 55.69 54.44 1c89 s MET 92 Cb 0.08 -3.10 0.14 0.00 -1.53 0.00 0.00 34.83 30.43 1c89 s MET 92 CO 0.11 0.26 0.32 0.15 -2.03 0.00 0.00 175.02 173.83 1c89 s LYS 93 N 0.37 1.81 -0.65 3.16 1.02 0.24 -4.87 119.74 120.82 1c89 s LYS 93 Ca 0.00 -2.58 -0.26 0.00 0.02 0.00 0.00 55.97 53.15 1c89 s LYS 93 Cb -0.13 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 1c89 s LYS 93 CO 0.01 -1.19 1.83 0.00 -0.92 0.00 0.00 175.35 175.09 1c89 s ALA 94 N -0.36 2.15 0.22 5.17 0.00 -1.26 -1.55 121.76 126.13 1c89 s ALA 94 Ca 0.20 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.46 1c89 s ALA 94 Cb -0.18 -4.33 -0.05 0.00 0.00 0.00 0.00 23.12 18.56 1c89 s ALA 94 CO -0.05 -3.96 -0.18 -1.21 0.00 0.00 0.00 175.76 170.35 1c89 s GLU 95 N 6.95 1.44 -0.60 0.00 0.41 -0.22 -4.68 118.70 122.00 1c89 s GLU 95 Ca 0.65 -1.59 -0.27 0.00 -0.41 0.00 0.00 54.97 53.36 1c89 s GLU 95 Cb -0.12 -1.44 -0.02 0.00 -1.78 0.00 0.00 34.13 30.77 1c89 s GLU 95 CO 0.18 0.27 1.88 -2.00 -0.49 0.00 0.00 175.26 175.10 1c89 s GLU 96 N -3.29 2.62 0.03 1.61 -6.30 -1.26 -0.88 118.70 111.22 1c89 s GLU 96 Ca 0.23 0.65 0.05 0.00 -2.50 0.00 0.00 54.97 53.39 1c89 s GLU 96 Cb -0.04 -4.39 -0.02 0.00 0.00 0.00 0.00 34.13 29.68 1c89 s GLU 96 CO 0.10 -2.74 -0.14 0.08 0.02 0.00 0.00 175.26 172.58 1c89 s VAL 97 N 9.16 1.08 -0.08 3.70 1.01 -1.25 -3.46 120.40 130.55 1c89 s VAL 97 Ca 0.68 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1c89 s VAL 97 Cb -0.13 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1c89 s VAL 97 CO 0.21 0.08 -0.06 -0.55 0.00 0.00 0.00 175.10 174.77 1c89 s SER 98 N -0.91 4.66 0.72 3.32 0.15 -1.26 -2.70 113.70 117.68 1c89 s SER 98 Ca 0.02 -0.05 -0.11 0.00 0.70 0.00 0.00 55.95 56.52 1c89 s SER 98 Cb -0.07 -1.29 0.02 0.00 -1.71 0.00 0.00 66.02 62.97 1c89 s SER 98 CO 0.01 0.33 1.07 -2.16 1.20 0.00 0.00 173.24 173.69 1c89 s PRO 99 N -0.58 2.72 -0.18 5.44 0.04 -1.26 -5.02 135.00 136.16 1c89 s PRO 99 Ca 0.09 0.75 -0.27 0.00 0.04 0.00 0.00 61.00 61.61 1c89 s PRO 99 Cb -0.12 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1c89 s PRO 99 CO 0.02 -1.20 0.94 -1.59 0.04 0.00 0.00 177.00 175.21 1c89 s LYS 100 N -5.14 4.31 0.00 4.56 -2.85 -1.10 -5.00 119.74 114.52 1c89 s LYS 100 Ca 0.59 1.20 0.00 0.00 -1.00 0.00 0.00 55.97 56.76 1c89 s LYS 100 Cb -0.13 -3.59 0.00 0.00 -2.06 0.00 0.00 37.83 32.04 1c89 s LYS 100 CO 0.54 -0.43 0.00 0.41 0.10 0.00 0.00 175.35 175.97 1c89 n GLY 101 N 3.36 1.78 3.46 0.59 0.00 -1.26 -4.94 105.19 108.18 1c89 n GLY 101 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 0.10 3.91 0.54 -0.61 1.01 -0.74 -4.76 121.20 120.64 1c89 s ILE 102 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 1c89 s ILE 102 Cb 0.00 -2.75 -0.06 0.00 0.01 0.00 0.00 42.46 39.67 1c89 s ILE 102 CO 0.00 0.45 1.07 -2.16 0.00 0.00 0.00 174.94 174.31 1c89 s PRO 103 N 0.77 3.48 -0.14 2.79 0.04 -1.26 -1.30 135.00 139.38 1c89 s PRO 103 Ca -0.00 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.40 1c89 s PRO 103 Cb -0.14 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1c89 s PRO 103 CO 0.02 -0.70 2.87 0.45 0.04 0.00 0.00 177.00 179.67 1c89 n SER 104 N -1.42 5.71 0.07 6.66 2.88 -1.26 -4.30 113.62 121.96 1c89 n SER 104 Ca 0.10 -2.71 -0.20 0.00 -1.33 0.00 0.00 58.87 54.73 1c89 n SER 104 Cb 0.52 -1.27 -0.15 0.00 -0.75 0.00 0.00 64.21 62.57 1c89 n SER 104 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1c89 h GLU 105 N 2.36 0.33 -0.16 -1.46 4.11 -1.94 -3.37 114.58 114.46 1c89 h GLU 105 Ca 0.21 -0.57 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1c89 h GLU 105 Cb 1.15 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1c89 h GLU 105 CO 0.40 1.22 0.00 0.39 0.07 0.00 0.00 179.01 181.09 1c89 n GLU 106 N -3.53 2.94 -0.17 1.06 1.02 -1.26 -4.66 120.64 116.04 1c89 n GLU 106 Ca -0.21 -1.74 0.11 0.00 -0.02 0.00 0.00 57.16 55.29 1c89 n GLU 106 Cb 1.06 -1.12 0.43 0.00 -0.02 0.00 0.00 31.44 31.79 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 0.91 0.90 -0.93 -3.67 6.09 -1.81 -1.60 117.51 117.40 1c89 h ILE 107 Ca 0.00 -0.20 0.27 0.00 -1.37 0.00 0.00 64.86 63.56 1c89 h ILE 107 Cb 0.60 0.27 -0.15 0.00 0.47 0.00 0.00 36.82 38.01 1c89 h ILE 107 CO 0.00 0.11 0.35 -1.28 -3.07 0.00 0.00 178.15 174.26 1c89 h SER 108 N 0.58 0.17 0.91 2.19 0.87 -1.86 2.16 113.55 118.57 1c89 h SER 108 Ca 0.34 0.20 -0.17 0.00 -1.23 0.00 0.00 61.79 60.94 1c89 h SER 108 Cb 0.55 0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 1c89 h SER 108 CO -0.12 -0.16 -1.18 0.50 -0.53 0.00 0.00 176.83 175.34 1c89 h LYS 109 N 0.24 0.00 -0.04 2.24 1.63 -1.68 -3.29 116.57 115.66 1c89 h LYS 109 Ca 0.63 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.43 1c89 h LYS 109 Cb 1.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 1c89 h LYS 109 CO -0.65 0.43 0.00 1.28 -3.45 0.00 0.00 179.45 177.05 1c89 n LEU 110 N -3.03 1.88 -4.76 5.20 4.77 0.12 -4.92 117.00 116.26 1c89 n LEU 110 Ca -0.07 -0.65 -0.41 0.00 -0.03 0.00 0.00 56.01 54.85 1c89 n LEU 110 Cb 0.84 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.90 1c89 n LEU 110 CO 0.43 0.32 1.20 -0.69 -1.33 0.00 0.00 177.39 177.32 1c89 s VAL 111 N -1.97 2.17 -0.09 4.08 1.01 0.69 -1.64 120.40 124.66 1c89 s VAL 111 Ca 0.35 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1c89 s VAL 111 Cb 0.21 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1c89 s VAL 111 CO 0.32 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1c89 n GLY 112 N 1.79 0.48 3.80 4.51 0.00 0.73 -4.89 105.19 111.61 1c89 n GLY 112 Ca 0.06 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.14 3.97 -0.09 1.61 0.00 -0.65 -4.14 119.30 118.87 1c89 s MET 113 Ca 0.00 1.38 -0.22 0.00 0.00 0.00 0.00 55.69 56.85 1c89 s MET 113 Cb 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 34.83 32.54 1c89 s MET 113 CO 0.00 -0.29 0.62 -0.65 0.00 0.00 0.00 175.02 174.71 1c89 s GLN 114 N -2.99 4.40 0.50 3.16 -0.21 -1.26 -2.05 119.66 121.20 1c89 s GLN 114 Ca 0.64 0.73 -0.11 0.00 0.02 0.00 0.00 55.36 56.63 1c89 s GLN 114 Cb -0.17 -3.45 -0.06 0.00 1.00 0.00 0.00 33.01 30.33 1c89 s GLN 114 CO 0.21 0.08 0.89 0.54 -2.12 0.00 0.00 175.29 174.89 1c89 s VAL 115 N 0.79 4.73 -1.63 1.09 0.11 -1.24 -4.66 120.40 119.58 1c89 s VAL 115 Ca 0.33 0.75 0.22 0.00 -2.93 0.00 0.00 61.98 60.35 1c89 s VAL 115 Cb -0.17 -3.79 -0.09 0.00 -1.53 0.00 0.00 36.38 30.80 1c89 s VAL 115 CO 0.15 -0.78 1.01 -0.46 -3.33 0.00 0.00 175.10 171.69 1c89 n ASN 116 N -1.90 1.64 -4.45 3.54 6.94 -1.26 0.35 115.26 120.11 1c89 n ASN 116 Ca 0.04 -1.32 -0.22 0.00 -0.02 0.00 0.00 54.58 53.06 1c89 n ASN 116 Cb 0.54 0.67 -0.10 0.00 -2.36 0.00 0.00 39.78 38.53 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1c89 s ARG 117 N -2.65 1.59 0.36 -3.83 3.52 -1.26 -4.67 118.95 112.01 1c89 s ARG 117 Ca 0.14 -1.80 -0.25 0.00 -0.13 0.00 0.00 55.73 53.70 1c89 s ARG 117 Cb 0.17 -1.29 -0.09 0.00 -1.56 0.00 0.00 34.95 32.17 1c89 s ARG 117 CO 0.68 0.09 1.02 0.00 -0.81 0.00 0.00 175.30 176.28 1c89 s ALA 118 N -2.90 3.16 -0.03 6.12 0.00 -1.26 -4.09 121.76 122.76 1c89 s ALA 118 Ca 0.29 0.67 0.07 0.00 0.00 0.00 0.00 51.96 52.99 1c89 s ALA 118 Cb 0.03 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1c89 s ALA 118 CO 0.13 -0.09 -0.24 0.08 0.00 0.00 0.00 175.76 175.64 1c89 s VAL 119 N -1.60 2.25 0.00 0.00 1.01 0.55 -4.89 120.40 117.72 1c89 s VAL 119 Ca 0.54 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1c89 s VAL 119 Cb -0.22 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1c89 s VAL 119 CO 0.28 0.58 0.00 -1.22 0.00 0.00 0.00 175.10 174.74 1c89 n TYR 120 N 2.45 -0.45 0.00 5.22 4.01 -1.26 -1.77 117.16 125.36 1c89 n TYR 120 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1c89 n TYR 120 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 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 -4.42 7.72 7.99 -1.23 -3.73 117.00 123.34 1c89 n LEU 121 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.84 1c89 n LEU 121 Cb 0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.16 1c89 n LEU 121 CO 0.00 0.00 1.69 -0.90 -1.51 0.00 0.00 177.39 176.67 1c89 n ASP 122 N 0.00 -0.93 -4.40 -1.43 5.68 -0.58 -4.47 116.55 110.42 1c89 n ASP 122 Ca 0.00 -0.96 -0.30 0.00 -0.50 0.00 0.00 54.79 53.02 1c89 n ASP 122 Cb 0.00 -0.78 -0.14 0.00 -1.14 0.00 0.00 41.12 39.06 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1c89 s GLN 123 N 6.99 1.92 -0.07 0.11 0.74 -0.63 -4.41 119.66 124.30 1c89 s GLN 123 Ca 0.98 -1.06 -0.30 0.00 0.05 0.00 0.00 55.36 55.03 1c89 s GLN 123 Cb -0.53 -2.08 -0.02 0.00 1.10 0.00 0.00 33.01 31.48 1c89 s GLN 123 CO 0.36 0.52 1.05 0.99 -0.55 0.00 0.00 175.29 177.67 1c89 s THR 124 N -0.87 4.67 0.18 -0.34 2.01 -1.26 0.18 115.64 120.20 1c89 s THR 124 Ca 0.13 1.94 -0.31 0.00 0.31 0.00 0.00 61.69 63.75 1c89 s THR 124 Cb -0.10 -4.24 -0.10 0.00 0.01 0.00 0.00 72.50 68.06 1c89 s THR 124 CO 0.04 0.03 1.59 -0.22 -0.69 0.00 0.00 174.62 175.36 1c89 s LEU 125 N 1.87 4.37 0.11 4.42 2.96 0.12 -4.92 118.68 127.60 1c89 s LEU 125 Ca 0.51 2.68 0.09 0.00 -0.22 0.00 0.00 54.13 57.19 1c89 s LEU 125 Cb -0.20 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 1c89 s LEU 125 CO 0.21 -0.85 -0.22 -0.04 -1.32 0.00 0.00 176.35 174.14 1c89 s MET 126 N 0.99 1.68 0.06 1.98 -1.94 -1.26 -1.79 119.30 119.01 1c89 s MET 126 Ca 0.70 -1.22 -0.16 0.00 -1.71 0.00 0.00 55.69 53.30 1c89 s MET 126 Cb -0.45 -2.04 -0.17 0.00 2.01 0.00 0.00 34.83 34.18 1c89 s MET 126 CO 0.33 0.48 1.26 -1.00 -0.01 0.00 0.00 175.02 176.07 1c89 h PRO 127 N 3.91 0.60 0.00 2.03 0.13 -1.89 -2.64 132.00 134.15 1c89 h PRO 127 Ca -0.50 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.15 1c89 h PRO 127 Cb 1.17 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1c89 h PRO 127 CO 0.44 1.10 0.00 -0.40 -0.23 0.00 0.00 178.00 178.91 1c89 n ASP 128 N -4.16 0.66 -0.03 1.44 5.75 -1.26 -3.24 116.55 115.72 1c89 n ASP 128 Ca -0.08 0.64 -0.20 0.00 -0.01 0.00 0.00 54.79 55.14 1c89 n ASP 128 Cb 0.63 -0.79 -0.13 0.00 -1.03 0.00 0.00 41.12 39.80 1c89 n ASP 128 CO 0.00 0.00 0.00 -0.03 -0.11 0.00 0.00 177.20 177.06 1c89 h MET 129 N 0.00 0.15 -5.41 0.11 4.05 -1.95 -3.43 114.93 108.45 1c89 h MET 129 Ca 0.00 -0.26 -0.65 0.00 -0.28 0.00 0.00 59.70 58.50 1c89 h MET 129 Cb 0.43 0.10 -0.15 0.00 -0.80 0.00 0.00 31.60 31.18 1c89 h MET 129 CO 0.00 1.13 0.20 0.08 0.23 0.00 0.00 176.91 178.55 1c89 s VAL 130 N -2.41 4.75 -1.17 -5.77 1.01 -1.01 -4.33 120.40 111.47 1c89 s VAL 130 Ca -0.22 0.03 0.19 0.00 0.00 0.00 0.00 61.98 61.98 1c89 s VAL 130 Cb 0.04 -4.29 0.23 0.00 0.00 0.00 0.00 36.38 32.35 1c89 s VAL 130 CO 0.72 -0.74 1.60 0.29 0.00 0.00 0.00 175.10 176.97 1c89 n LYS 131 N 6.47 0.11 -0.13 2.72 4.76 -1.26 -2.29 118.16 128.54 1c89 n LYS 131 Ca -0.02 0.15 0.10 0.00 -2.87 0.00 0.00 58.31 55.67 1c89 n LYS 131 Cb 0.47 -1.50 0.30 0.00 -1.84 0.00 0.00 35.03 32.47 1c89 n LYS 131 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1c89 n ASN 132 N -1.41 2.07 -2.74 4.39 2.85 -1.26 -4.91 115.26 114.23 1c89 n ASN 132 Ca 0.06 -1.82 0.00 0.00 -0.11 0.00 0.00 54.58 52.71 1c89 n ASN 132 Cb 0.19 -0.17 0.00 0.00 1.24 0.00 0.00 39.78 41.04 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 0.59 -2.52 1.65 1.20 4.11 -0.97 -5.05 117.16 116.18 1c89 n TYR 133 Ca 0.16 0.00 0.15 0.00 -0.00 0.00 0.00 57.90 58.21 1c89 n TYR 133 Cb 0.38 0.00 0.65 0.00 -0.00 0.00 0.00 39.34 40.37 1c89 n TYR 133 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25