#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 0.08 0.21 -3.83 1.02 -1.26 -4.98 119.74 110.98 1c89 s LYS 2 Ca 0.00 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.27 1c89 s LYS 2 Cb 0.00 -1.78 -0.08 0.00 -0.52 0.00 0.00 37.83 35.45 1c89 s LYS 2 CO 0.00 -2.79 1.04 0.00 -0.92 0.00 0.00 175.35 172.68 1c89 s ALA 3 N -3.76 3.35 0.01 5.17 0.00 -1.26 -4.67 121.76 120.60 1c89 s ALA 3 Ca 0.75 0.75 -0.00 0.00 0.00 0.00 0.00 51.96 53.46 1c89 s ALA 3 Cb -0.04 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1c89 s ALA 3 CO 0.54 -0.07 0.10 -1.12 0.00 0.00 0.00 175.76 175.20 1c89 s SER 4 N -0.53 5.76 -0.57 0.00 0.01 0.13 -3.86 113.70 114.65 1c89 s SER 4 Ca 0.46 0.15 -0.27 0.00 1.31 0.00 0.00 55.95 57.60 1c89 s SER 4 Cb -0.28 -1.66 -0.00 0.00 0.21 0.00 0.00 66.02 64.28 1c89 s SER 4 CO 0.35 0.25 1.65 -0.69 0.41 0.00 0.00 173.24 175.21 1c89 s VAL 5 N -1.25 3.55 -0.21 3.43 1.01 -0.84 -1.93 120.40 124.16 1c89 s VAL 5 Ca 0.25 0.42 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 1c89 s VAL 5 Cb -0.12 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 1c89 s VAL 5 CO 0.16 -1.02 -0.07 -0.69 0.00 0.00 0.00 175.10 173.48 1c89 s VAL 6 N 7.44 3.14 0.20 2.92 1.01 -0.11 -0.55 120.40 134.44 1c89 s VAL 6 Ca 0.61 -0.57 -0.32 0.00 0.00 0.00 0.00 61.98 61.70 1c89 s VAL 6 Cb -0.13 -2.41 -0.12 0.00 0.00 0.00 0.00 36.38 33.72 1c89 s VAL 6 CO 0.23 0.45 1.71 0.00 0.00 0.00 0.00 175.10 177.49 1c89 s ALA 7 N 1.38 3.92 -0.07 5.51 0.00 0.22 -2.62 121.76 130.10 1c89 s ALA 7 Ca 0.05 1.56 -0.19 0.00 0.00 0.00 0.00 51.96 53.38 1c89 s ALA 7 Cb -0.14 -3.69 -0.30 0.00 0.00 0.00 0.00 23.12 18.99 1c89 s ALA 7 CO -0.04 -0.91 0.75 -0.97 0.00 0.00 0.00 175.76 174.58 1c89 h ASN 8 N 6.85 0.46 -1.91 0.00 -0.00 -1.86 1.08 115.58 120.20 1c89 h ASN 8 Ca -0.43 -0.91 -0.47 0.00 -0.00 0.00 0.00 56.30 54.49 1c89 h ASN 8 Cb 1.20 -0.15 0.08 0.00 -0.00 0.00 0.00 38.32 39.45 1c89 h ASN 8 CO 0.95 1.52 0.10 0.00 -0.00 0.00 0.00 177.43 180.00 1c89 s GLN 9 N -2.46 1.64 -0.12 6.67 -2.07 -1.26 -1.71 119.66 120.34 1c89 s GLN 9 Ca -0.16 -1.23 -0.20 0.00 -1.82 0.00 0.00 55.36 51.95 1c89 s GLN 9 Cb 0.03 -2.35 -0.04 0.00 -1.09 0.00 0.00 33.01 29.56 1c89 s GLN 9 CO 0.81 -1.47 0.55 -1.17 -1.32 0.00 0.00 175.29 172.69 1c89 s LEU 10 N -5.13 4.26 -0.08 2.60 0.20 -1.26 -4.07 118.68 115.20 1c89 s LEU 10 Ca 0.67 0.89 0.00 0.00 0.69 0.00 0.00 54.13 56.38 1c89 s LEU 10 Cb -0.05 -2.81 -0.03 0.00 -0.43 0.00 0.00 46.19 42.88 1c89 s LEU 10 CO 0.44 -0.07 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.74 1c89 s ILE 11 N 0.89 3.76 0.00 6.68 1.01 0.33 -4.94 121.20 128.93 1c89 s ILE 11 Ca 0.29 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1c89 s ILE 11 Cb -0.16 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1c89 s ILE 11 CO 0.12 0.58 0.00 -0.81 0.00 0.00 0.00 174.94 174.84 1c89 n PRO 12 N 2.41 1.13 -3.71 2.79 -0.04 -1.26 0.24 135.00 136.56 1c89 n PRO 12 Ca -0.18 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.08 1c89 n PRO 12 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 1c89 n PRO 12 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1c89 s ILE 13 N 0.00 4.77 -1.02 0.52 -5.25 -1.26 -3.97 121.20 114.99 1c89 s ILE 13 Ca 0.00 -0.94 -0.17 0.00 -0.99 0.00 0.00 60.65 58.56 1c89 s ILE 13 Cb 0.00 -3.68 0.02 0.00 2.95 0.00 0.00 42.46 41.75 1c89 s ILE 13 CO 0.00 -0.28 0.66 0.59 -1.79 0.00 0.00 174.94 174.12 1c89 n ASN 14 N -1.55 -4.73 -3.81 4.36 5.03 -0.44 -4.87 115.26 109.25 1c89 n ASN 14 Ca -0.05 -1.08 -0.13 0.00 0.87 0.00 0.00 54.58 54.19 1c89 n ASN 14 Cb 0.57 -1.98 -0.15 0.00 -1.02 0.00 0.00 39.78 37.21 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1c89 s THR 15 N -3.26 -0.03 0.05 3.41 2.01 -1.26 -4.83 115.64 111.73 1c89 s THR 15 Ca 0.25 0.10 -0.31 0.00 0.31 0.00 0.00 61.69 62.05 1c89 s THR 15 Cb -0.13 -0.09 -0.06 0.00 0.01 0.00 0.00 72.50 72.23 1c89 s THR 15 CO 0.92 0.04 1.24 0.00 -0.69 0.00 0.00 174.62 176.13 1c89 s ALA 16 N 0.55 3.44 0.49 7.40 0.00 -1.23 -3.69 121.76 128.72 1c89 s ALA 16 Ca -0.04 0.85 -0.20 0.00 0.00 0.00 0.00 51.96 52.56 1c89 s ALA 16 Cb -0.06 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 1c89 s ALA 16 CO -0.02 -0.54 1.04 -0.51 0.00 0.00 0.00 175.76 175.73 1c89 s LEU 17 N 1.34 3.84 0.37 0.00 1.43 -1.09 -4.54 118.68 120.03 1c89 s LEU 17 Ca 0.59 1.93 0.08 0.00 -1.03 0.00 0.00 54.13 55.70 1c89 s LEU 17 Cb -0.30 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.29 1c89 s LEU 17 CO 0.28 -0.78 -0.03 0.42 0.23 0.00 0.00 176.35 176.47 1c89 s THR 18 N -1.98 2.03 0.46 5.49 -4.23 -1.26 0.26 115.64 116.41 1c89 s THR 18 Ca 0.67 -2.09 0.22 0.00 -1.18 0.00 0.00 61.69 59.32 1c89 s THR 18 Cb -0.16 -2.82 0.26 0.00 1.34 0.00 0.00 72.50 71.11 1c89 s THR 18 CO 0.20 -0.09 2.07 -0.07 -0.54 0.00 0.00 174.62 176.19 1c89 h LEU 19 N 1.91 0.00 0.14 4.79 -0.00 -1.97 -2.52 115.31 117.66 1c89 h LEU 19 Ca -0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1c89 h LEU 19 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 1c89 h LEU 19 CO 0.76 0.12 -0.07 0.40 -0.00 0.00 0.00 178.44 179.65 1c89 h ILE 20 N 0.00 0.93 -0.16 1.22 5.03 -2.03 -2.35 117.51 120.15 1c89 h ILE 20 Ca -0.00 -0.29 0.00 0.00 -0.12 0.00 0.00 64.86 64.45 1c89 h ILE 20 Cb 0.26 1.12 0.00 0.00 -3.03 0.00 0.00 36.82 35.17 1c89 h ILE 20 CO 0.02 0.07 0.00 1.15 -0.68 0.00 0.00 178.15 178.71 1c89 n MET 21 N -5.11 1.60 -3.60 2.37 0.00 -1.09 -4.64 117.12 106.65 1c89 n MET 21 Ca -0.09 -0.68 -0.40 0.00 0.00 0.00 0.00 57.70 56.54 1c89 n MET 21 Cb 0.15 -1.33 -0.08 0.00 0.00 0.00 0.00 33.22 31.95 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 -1.64 2.55 -0.42 3.17 0.00 -0.89 -3.13 119.30 118.94 1c89 s MET 22 Ca 0.12 -2.04 -0.05 0.00 0.00 0.00 0.00 55.69 53.72 1c89 s MET 22 Cb 0.08 -3.88 0.11 0.00 0.00 0.00 0.00 34.83 31.13 1c89 s MET 22 CO 0.07 -1.18 0.24 0.15 0.00 0.00 0.00 175.02 174.29 1c89 s LYS 23 N 0.84 2.18 -1.16 4.11 1.02 -1.08 -4.92 119.74 120.74 1c89 s LYS 23 Ca 0.10 -1.76 -0.19 0.00 0.02 0.00 0.00 55.97 54.15 1c89 s LYS 23 Cb -0.22 -3.67 0.09 0.00 -0.52 0.00 0.00 37.83 33.51 1c89 s LYS 23 CO -0.03 -1.08 1.52 0.00 -0.92 0.00 0.00 175.35 174.84 1c89 s ALA 24 N 1.22 3.29 0.31 5.17 0.00 -1.26 -0.94 121.76 129.56 1c89 s ALA 24 Ca 0.07 -2.81 0.07 0.00 0.00 0.00 0.00 51.96 49.29 1c89 s ALA 24 Cb -0.24 -4.44 -0.02 0.00 0.00 0.00 0.00 23.12 18.42 1c89 s ALA 24 CO -0.03 -3.24 0.35 -2.00 0.00 0.00 0.00 175.76 170.84 1c89 s GLU 25 N 3.72 3.02 -1.28 0.00 2.12 -0.81 -4.52 118.70 120.94 1c89 s GLU 25 Ca 0.47 -1.07 -0.12 0.00 0.36 0.00 0.00 54.97 54.61 1c89 s GLU 25 Cb 0.00 -2.68 0.15 0.00 0.26 0.00 0.00 34.13 31.86 1c89 s GLU 25 CO -0.01 0.18 1.74 0.28 -0.54 0.00 0.00 175.26 176.92 1c89 n VAL 26 N -1.45 4.18 -4.20 3.70 0.31 -1.26 0.20 118.33 119.82 1c89 n VAL 26 Ca -0.03 -4.35 -0.12 0.00 -0.01 0.00 0.00 64.34 59.83 1c89 n VAL 26 Cb 0.58 -2.42 -0.10 0.00 -0.91 0.00 0.00 33.84 30.99 1c89 n VAL 26 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1c89 s VAL 27 N 1.46 0.76 0.51 2.52 -7.23 -1.26 -4.97 120.40 112.19 1c89 s VAL 27 Ca 0.43 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.61 1c89 s VAL 27 Cb 0.05 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1c89 s VAL 27 CO 0.00 -0.76 0.77 0.42 -0.31 0.00 0.00 175.10 175.22 1c89 s THR 28 N -3.59 3.89 0.72 5.32 -4.23 -1.26 -4.35 115.64 112.14 1c89 s THR 28 Ca 0.15 -0.26 -0.11 0.00 -1.18 0.00 0.00 61.69 60.29 1c89 s THR 28 Cb 0.05 -3.48 0.02 0.00 1.34 0.00 0.00 72.50 70.43 1c89 s THR 28 CO -0.02 -0.41 1.07 -2.16 -0.54 0.00 0.00 174.62 172.56 1c89 s PRO 29 N -4.74 2.75 -0.94 3.99 0.04 -1.26 -4.96 135.00 129.88 1c89 s PRO 29 Ca 0.51 0.92 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 1c89 s PRO 29 Cb -0.10 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 1c89 s PRO 29 CO 0.41 -1.22 2.04 -1.33 0.04 0.00 0.00 177.00 176.93 1c89 n MET 30 N -3.21 1.89 0.00 4.56 2.81 -1.26 -4.88 117.12 117.03 1c89 n MET 30 Ca 0.08 -1.93 0.00 0.00 -1.81 0.00 0.00 57.70 54.04 1c89 n MET 30 Cb 0.54 -2.91 0.00 0.00 -0.71 0.00 0.00 33.22 30.14 1c89 n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c89 n GLY 31 N 4.31 -1.77 3.72 3.03 0.00 -1.26 -4.89 105.19 108.32 1c89 n GLY 31 Ca 0.50 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1c89 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c89 s ILE 32 N 0.00 4.72 1.11 -0.61 1.01 0.68 -4.93 121.20 123.18 1c89 s ILE 32 Ca 0.00 2.02 -0.19 0.00 0.00 0.00 0.00 60.65 62.48 1c89 s ILE 32 Cb 0.00 -4.30 0.27 0.00 0.01 0.00 0.00 42.46 38.44 1c89 s ILE 32 CO 0.00 0.24 1.17 -0.81 0.00 0.00 0.00 174.94 175.54 1c89 n PRO 33 N 3.38 -2.40 -0.82 2.79 -0.04 -1.26 -1.99 135.00 134.66 1c89 n PRO 33 Ca 0.04 -1.84 -0.15 0.00 -0.04 0.00 0.00 63.50 61.51 1c89 n PRO 33 Cb 0.50 -1.51 0.05 0.00 -0.04 0.00 0.00 33.50 32.50 1c89 n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c89 n ALA 34 N -4.45 4.86 0.03 0.55 0.00 -1.25 -4.45 120.51 115.79 1c89 n ALA 34 Ca -0.21 -1.59 -0.13 0.00 0.00 0.00 0.00 53.44 51.52 1c89 n ALA 34 Cb 0.57 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 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 1.25 -0.06 -1.01 0.00 4.57 -1.93 -3.03 114.58 114.37 1c89 h GLU 35 Ca 0.29 0.00 -0.40 0.00 -1.18 0.00 0.00 59.36 58.08 1c89 h GLU 35 Cb 1.13 0.01 -0.23 0.00 -0.16 0.00 0.00 28.75 29.51 1c89 h GLU 35 CO 0.71 0.27 0.51 0.39 -1.18 0.00 0.00 179.01 179.70 1c89 n GLU 36 N -4.96 1.96 -0.36 1.92 -0.58 -1.26 -4.65 120.64 112.70 1c89 n GLU 36 Ca -0.08 -2.27 0.02 0.00 -0.42 0.00 0.00 57.16 54.40 1c89 n GLU 36 Cb 0.19 -1.89 0.08 0.00 -0.57 0.00 0.00 31.44 29.25 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1c89 h ILE 37 N 0.77 0.02 0.00 -3.67 1.08 -1.84 2.66 117.51 116.53 1c89 h ILE 37 Ca 0.48 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.95 1c89 h ILE 37 Cb 2.32 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 1c89 h ILE 37 CO 0.86 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.51 1c89 n PRO 38 N -5.53 0.10 -0.09 2.37 -0.04 -1.26 -0.99 135.00 129.56 1c89 n PRO 38 Ca 0.12 0.29 -0.12 0.00 -0.04 0.00 0.00 63.50 63.76 1c89 n PRO 38 Cb 0.43 -1.68 -0.11 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.87 1.82 0.07 3.54 3.02 0.71 -4.56 115.26 117.98 1c89 n ASN 39 Ca 0.03 -0.06 -0.15 0.00 -0.03 0.00 0.00 54.58 54.37 1c89 n ASN 39 Cb 0.23 0.19 -0.14 0.00 -0.61 0.00 0.00 39.78 39.45 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1c89 h LEU 40 N 0.00 0.34 -9.33 3.41 -0.00 0.36 -3.45 115.31 106.64 1c89 h LEU 40 Ca -0.45 -0.43 -0.59 0.00 -0.00 0.00 0.00 57.88 56.40 1c89 h LEU 40 Cb 1.83 -0.11 0.16 0.00 -0.00 0.00 0.00 40.66 42.55 1c89 h LEU 40 CO -0.03 1.35 -0.56 0.52 -0.00 0.00 0.00 178.44 179.73 1c89 n VAL 41 N -3.44 1.61 -0.86 1.22 0.31 -0.16 -0.44 118.33 116.56 1c89 n VAL 41 Ca -0.13 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1c89 n VAL 41 Cb 1.03 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 1c89 n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c89 n GLY 42 N 1.94 0.19 3.78 2.92 0.00 0.74 -4.70 105.19 110.06 1c89 n GLY 42 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.17 3.27 -0.16 1.61 0.00 0.42 -3.92 119.30 119.34 1c89 s MET 43 Ca 0.00 1.53 -0.16 0.00 0.00 0.00 0.00 55.69 57.05 1c89 s MET 43 Cb 0.00 -2.00 -0.04 0.00 0.00 0.00 0.00 34.83 32.79 1c89 s MET 43 CO 0.00 -0.90 0.41 -0.65 0.00 0.00 0.00 175.02 173.88 1c89 s GLN 44 N -3.49 4.26 0.59 3.16 -0.21 -1.25 -2.68 119.66 120.03 1c89 s GLN 44 Ca 0.71 0.28 -0.06 0.00 0.02 0.00 0.00 55.36 56.31 1c89 s GLN 44 Cb -0.22 -3.47 0.00 0.00 1.00 0.00 0.00 33.01 30.32 1c89 s GLN 44 CO 0.30 0.10 0.90 0.14 -2.12 0.00 0.00 175.29 174.61 1c89 s VAL 45 N 0.85 3.79 -0.63 1.09 -7.23 -1.24 -4.31 120.40 112.72 1c89 s VAL 45 Ca 0.21 0.06 0.22 0.00 -1.81 0.00 0.00 61.98 60.66 1c89 s VAL 45 Cb -0.14 -3.50 -0.22 0.00 0.56 0.00 0.00 36.38 33.07 1c89 s VAL 45 CO 0.08 -0.52 0.84 -3.20 -0.31 0.00 0.00 175.10 171.98 1c89 n ASN 46 N -2.57 0.61 -4.09 4.85 5.15 -1.26 -1.33 115.26 116.62 1c89 n ASN 46 Ca 0.04 -0.49 -0.08 0.00 -0.60 0.00 0.00 54.58 53.46 1c89 n ASN 46 Cb 0.57 1.19 -0.10 0.00 -0.53 0.00 0.00 39.78 40.92 1c89 n ASN 46 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c89 s ARG 47 N -3.20 0.75 0.59 1.20 3.03 -1.26 -4.77 118.95 115.30 1c89 s ARG 47 Ca 0.03 -1.28 -0.19 0.00 2.03 0.00 0.00 55.73 56.32 1c89 s ARG 47 Cb 0.15 0.24 -0.04 0.00 -1.03 0.00 0.00 34.95 34.27 1c89 s ARG 47 CO 0.86 -0.18 1.18 0.00 -1.13 0.00 0.00 175.30 176.02 1c89 s ALA 48 N -3.96 2.56 -0.12 7.88 0.00 -1.26 -4.47 121.76 122.38 1c89 s ALA 48 Ca 0.13 0.92 0.03 0.00 0.00 0.00 0.00 51.96 53.04 1c89 s ALA 48 Cb 0.07 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1c89 s ALA 48 CO -0.06 -1.10 -0.22 0.08 0.00 0.00 0.00 175.76 174.47 1c89 s VAL 49 N -1.71 2.18 0.63 0.00 1.01 0.66 -4.97 120.40 118.20 1c89 s VAL 49 Ca 0.75 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 1c89 s VAL 49 Cb -0.28 -1.86 0.16 0.00 0.00 0.00 0.00 36.38 34.40 1c89 s VAL 49 CO 0.32 0.55 0.61 -0.81 0.00 0.00 0.00 175.10 175.78 1c89 n PRO 50 N 3.78 -1.87 -2.74 2.72 -0.04 -1.26 0.12 135.00 135.70 1c89 n PRO 50 Ca -0.19 -0.97 -0.38 0.00 -0.04 0.00 0.00 63.50 61.92 1c89 n PRO 50 Cb 0.52 -0.85 -0.06 0.00 -0.04 0.00 0.00 33.50 33.07 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 4.39 -1.52 1.53 1.43 -1.26 -3.54 118.68 119.72 1c89 s LEU 51 Ca 0.39 1.89 -0.03 0.00 -1.03 0.00 0.00 54.13 55.35 1c89 s LEU 51 Cb -0.03 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.26 1c89 s LEU 51 CO 0.29 -0.06 0.37 0.61 0.23 0.00 0.00 176.35 177.79 1c89 n GLY 52 N 0.75 -0.43 3.66 -3.19 0.00 0.35 -4.94 105.19 101.40 1c89 n GLY 52 Ca 0.01 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1c89 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c89 s THR 53 N -3.07 4.83 0.84 2.61 2.01 -0.02 -4.71 115.64 118.11 1c89 s THR 53 Ca 0.18 1.71 -0.11 0.00 0.31 0.00 0.00 61.69 63.78 1c89 s THR 53 Cb -0.08 -4.17 0.10 0.00 0.01 0.00 0.00 72.50 68.35 1c89 s THR 53 CO 0.22 -0.04 1.09 0.28 -0.69 0.00 0.00 174.62 175.49 1c89 s THR 54 N 2.53 2.96 -0.78 -0.82 -1.32 -1.26 0.72 115.64 117.66 1c89 s THR 54 Ca 0.39 0.31 -0.25 0.00 -1.21 0.00 0.00 61.69 60.93 1c89 s THR 54 Cb -0.16 -2.78 -0.02 0.00 -1.51 0.00 0.00 72.50 68.03 1c89 s THR 54 CO 0.10 -0.41 1.79 -0.22 -2.21 0.00 0.00 174.62 173.67 1c89 s LEU 55 N -6.09 3.25 -0.07 9.08 1.98 0.28 -4.77 118.68 122.34 1c89 s LEU 55 Ca 0.62 -0.31 -0.08 0.00 -2.89 0.00 0.00 54.13 51.47 1c89 s LEU 55 Cb -0.18 -2.55 -0.04 0.00 0.66 0.00 0.00 46.19 44.08 1c89 s LEU 55 CO 0.57 -2.37 0.22 -0.04 -1.89 0.00 0.00 176.35 172.84 1c89 s MET 56 N 6.68 3.56 0.45 1.98 -1.94 -1.26 -0.23 119.30 128.53 1c89 s MET 56 Ca 0.63 -0.02 0.25 0.00 -1.71 0.00 0.00 55.69 54.83 1c89 s MET 56 Cb -0.09 -3.17 0.88 0.00 2.01 0.00 0.00 34.83 34.46 1c89 s MET 56 CO 0.09 0.73 1.80 -1.00 -0.01 0.00 0.00 175.02 176.64 1c89 h PRO 57 N 4.67 0.00 0.00 2.03 0.13 -1.92 -2.79 132.00 134.11 1c89 h PRO 57 Ca -0.53 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.49 1c89 h PRO 57 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1c89 h PRO 57 CO 0.61 0.20 -0.59 -0.44 -0.23 0.00 0.00 178.00 177.54 1c89 h ASP 58 N 0.00 0.00 -0.67 1.44 3.32 -1.98 -3.22 116.42 115.30 1c89 h ASP 58 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1c89 h ASP 58 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1c89 h ASP 58 CO 0.03 0.50 0.00 0.23 -1.72 0.00 0.00 179.24 178.28 1c89 n MET 59 N -3.19 3.07 -5.12 3.56 2.81 -1.12 -4.90 117.12 112.23 1c89 n MET 59 Ca 0.01 -2.70 -0.32 0.00 -1.81 0.00 0.00 57.70 52.88 1c89 n MET 59 Cb 0.74 -1.66 -0.17 0.00 -0.71 0.00 0.00 33.22 31.43 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 -1.30 2.04 0.00 2.03 1.01 -1.07 -4.26 120.40 118.86 1c89 s VAL 60 Ca 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1c89 s VAL 60 Cb 0.27 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1c89 s VAL 60 CO 0.29 0.55 0.00 1.17 0.00 0.00 0.00 175.10 177.11 1c89 n LYS 61 N 3.61 0.00 -2.99 2.72 4.81 -1.26 -4.65 118.16 120.41 1c89 n LYS 61 Ca -0.19 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.81 1c89 n LYS 61 Cb 0.53 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 -0.80 1.17 0.00 0.00 177.40 177.77 1c89 s ASN 62 N -1.56 6.83 -0.38 3.14 -0.87 -1.26 -4.77 114.94 116.07 1c89 s ASN 62 Ca 0.00 -2.51 -0.04 0.00 -1.57 0.00 0.00 52.86 48.74 1c89 s ASN 62 Cb 0.00 -2.37 -0.09 0.00 -0.02 0.00 0.00 41.25 38.76 1c89 s ASN 62 CO 0.00 -0.87 2.02 0.00 -2.57 0.00 0.00 177.10 175.68 1c89 n TYR 63 N 5.82 0.56 -0.67 2.20 0.18 -1.26 -4.90 117.16 119.09 1c89 n TYR 63 Ca 0.28 -1.23 0.00 0.00 1.88 0.00 0.00 57.90 58.82 1c89 n TYR 63 Cb 0.46 -1.25 0.00 0.00 -0.38 0.00 0.00 39.34 38.17 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 3.47 0.00 -1.61 -3.48 -0.58 -1.26 -1.68 120.64 115.51 1c89 n GLU 64 Ca 0.30 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.69 1c89 n GLU 64 Cb 0.30 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.13 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1c89 n ASP 65 N -3.62 7.71 0.00 1.62 9.92 -1.26 -4.58 116.55 126.33 1c89 n ASP 65 Ca 0.00 -2.91 0.06 0.00 -0.53 0.00 0.00 54.79 51.41 1c89 n ASP 65 Cb 0.00 -1.40 0.30 0.00 -0.64 0.00 0.00 41.12 39.37 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c89 n GLY 66 N 2.21 -0.91 3.97 0.44 0.00 -0.68 -4.72 105.19 105.51 1c89 n GLY 66 Ca 0.63 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 46.38 1c89 n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c89 s THR 67 N -2.90 2.57 0.00 2.61 -4.23 -1.26 -5.09 115.64 107.33 1c89 s THR 67 Ca 0.08 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 1c89 s THR 67 Cb 0.09 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1c89 s THR 67 CO 0.23 0.00 0.00 0.41 -0.54 0.00 0.00 174.62 174.72 1c89 n THR 68 N -2.46 0.00 -2.42 3.99 -1.04 -1.26 -4.93 114.28 106.17 1c89 n THR 68 Ca 0.09 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.69 1c89 n THR 68 Cb 0.60 -0.29 -0.04 0.00 -1.82 0.00 0.00 70.33 68.78 1c89 n THR 68 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1c89 s SER 69 N -1.00 7.14 0.00 8.00 0.15 -1.26 -5.00 113.70 121.73 1c89 s SER 69 Ca 0.00 2.19 0.00 0.00 0.70 0.00 0.00 55.95 58.84 1c89 s SER 69 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1c89 s SER 69 CO 0.00 -0.33 0.00 -0.81 1.20 0.00 0.00 173.24 173.30 1c89 n PRO 70 N 2.45 0.00 0.00 5.44 -0.04 -1.26 -4.81 135.00 136.78 1c89 n PRO 70 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1c89 n PRO 70 Cb 0.45 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 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 2.01 1.46 2.38 0.55 0.00 -1.26 -4.15 105.19 106.18 1c89 n GLY 71 Ca 0.00 0.36 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 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 6.52 -4.62 0.99 4.77 -1.26 -4.93 117.00 118.47 1c89 n LEU 72 Ca 0.00 -4.01 -0.43 0.00 -0.03 0.00 0.00 56.01 51.55 1c89 n LEU 72 Cb 0.00 -1.30 -0.02 0.00 -2.33 0.00 0.00 43.42 39.76 1c89 n LEU 72 CO 0.00 1.79 1.24 -1.59 -1.33 0.00 0.00 177.39 177.50 1c89 s LYS 73 N -0.91 3.78 0.31 3.23 -2.85 -1.26 -4.42 119.74 117.62 1c89 s LYS 73 Ca 0.60 1.30 -0.07 0.00 -1.00 0.00 0.00 55.97 56.81 1c89 s LYS 73 Cb 0.33 -3.97 -0.06 0.00 -2.06 0.00 0.00 37.83 32.08 1c89 s LYS 73 CO -0.15 -1.30 0.60 -1.12 0.10 0.00 0.00 175.35 173.48 1c89 s SER 74 N 3.60 6.48 0.21 0.03 0.01 0.41 -4.15 113.70 120.29 1c89 s SER 74 Ca 0.63 0.82 -0.31 0.00 1.31 0.00 0.00 55.95 58.40 1c89 s SER 74 Cb -0.19 -2.19 -0.10 0.00 0.21 0.00 0.00 66.02 63.75 1c89 s SER 74 CO 0.27 -0.23 1.52 -0.69 0.41 0.00 0.00 173.24 174.52 1c89 s VAL 75 N -2.13 2.57 -0.06 3.43 1.01 -1.04 -0.59 120.40 123.59 1c89 s VAL 75 Ca 0.46 0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 1c89 s VAL 75 Cb -0.11 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 33.02 1c89 s VAL 75 CO 0.29 0.05 -0.01 -0.69 0.00 0.00 0.00 175.10 174.75 1c89 s VAL 76 N 0.53 0.43 -0.87 2.92 1.01 -0.48 -1.81 120.40 122.13 1c89 s VAL 76 Ca 0.65 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.42 1c89 s VAL 76 Cb -0.43 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1c89 s VAL 76 CO 0.38 0.25 1.90 0.00 0.00 0.00 0.00 175.10 177.63 1c89 s ALA 77 N 1.64 1.81 0.49 5.51 0.00 0.84 -0.73 121.76 131.32 1c89 s ALA 77 Ca 0.00 -1.44 0.18 0.00 0.00 0.00 0.00 51.96 50.70 1c89 s ALA 77 Cb -0.13 -4.52 1.21 0.00 0.00 0.00 0.00 23.12 19.68 1c89 s ALA 77 CO -0.04 -4.60 2.03 -0.97 0.00 0.00 0.00 175.76 172.18 1c89 h ASN 78 N 11.66 0.15 -4.61 0.00 -0.73 -1.78 -0.50 115.58 119.77 1c89 h ASN 78 Ca 0.05 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.95 1c89 h ASN 78 Cb 1.03 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.56 1c89 h ASN 78 CO 1.23 0.09 -0.13 1.67 -0.37 0.00 0.00 177.43 179.92 1c89 n GLN 79 N -4.46 1.11 -4.04 6.67 7.27 -1.26 -2.73 117.38 119.94 1c89 n GLN 79 Ca 0.06 -1.66 -0.34 0.00 0.07 0.00 0.00 57.00 55.12 1c89 n GLN 79 Cb 0.36 0.19 -0.10 0.00 2.41 0.00 0.00 30.24 33.10 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1c89 s LEU 80 N 0.00 3.79 -0.02 1.69 0.20 -1.22 -3.53 118.68 119.59 1c89 s LEU 80 Ca 0.15 0.08 0.08 0.00 0.69 0.00 0.00 54.13 55.12 1c89 s LEU 80 Cb -0.01 -1.95 -0.02 0.00 -0.43 0.00 0.00 46.19 43.78 1c89 s LEU 80 CO 0.09 0.19 -0.25 -0.63 -0.29 0.00 0.00 176.35 175.46 1c89 s ILE 81 N 0.30 1.93 0.70 6.68 -1.09 -0.44 -4.92 121.20 124.35 1c89 s ILE 81 Ca 0.03 -1.05 -0.11 0.00 -2.23 0.00 0.00 60.65 57.29 1c89 s ILE 81 Cb -0.12 -1.60 0.01 0.00 -1.58 0.00 0.00 42.46 39.16 1c89 s ILE 81 CO 0.00 0.55 1.06 -2.16 -1.23 0.00 0.00 174.94 173.16 1c89 s PRO 82 N -0.57 2.88 0.35 2.79 0.04 -1.26 0.05 135.00 139.28 1c89 s PRO 82 Ca 0.09 1.00 -0.27 0.00 0.04 0.00 0.00 61.00 61.87 1c89 s PRO 82 Cb -0.09 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.34 1c89 s PRO 82 CO -0.01 -1.14 1.07 -0.89 0.04 0.00 0.00 177.00 176.07 1c89 n ILE 83 N -3.09 2.16 -2.91 0.56 5.41 -1.25 -3.68 119.36 116.57 1c89 n ILE 83 Ca 0.08 -0.50 -0.07 0.00 1.00 0.00 0.00 62.75 63.26 1c89 n ILE 83 Cb 0.53 -1.19 0.01 0.00 -0.71 0.00 0.00 39.64 38.28 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 0.84 -7.88 -3.51 4.38 4.13 -0.19 -4.92 115.26 108.11 1c89 n ASN 84 Ca 0.08 0.40 -0.22 0.00 1.68 0.00 0.00 54.58 56.53 1c89 n ASN 84 Cb 0.36 -5.31 -0.14 0.00 -1.54 0.00 0.00 39.78 33.15 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1c89 s THR 85 N -2.67 -0.24 -0.85 3.41 2.01 -1.24 -4.79 115.64 111.27 1c89 s THR 85 Ca 0.20 -0.32 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 1c89 s THR 85 Cb -0.06 -0.78 -0.22 0.00 0.01 0.00 0.00 72.50 71.46 1c89 s THR 85 CO 0.77 -0.37 2.23 0.00 -0.69 0.00 0.00 174.62 176.55 1c89 n ALA 86 N 5.30 0.65 -2.48 7.40 0.00 -1.25 -4.38 120.51 125.75 1c89 n ALA 86 Ca -0.05 -1.20 -0.38 0.00 0.00 0.00 0.00 53.44 51.81 1c89 n ALA 86 Cb 0.47 -2.81 -0.06 0.00 0.00 0.00 0.00 19.45 17.06 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 8.47 4.46 0.00 0.00 2.34 -1.03 -4.67 118.68 128.25 1c89 s LEU 87 Ca 1.03 1.01 0.00 0.00 0.06 0.00 0.00 54.13 56.23 1c89 s LEU 87 Cb -0.40 -2.67 -0.00 0.00 -0.56 0.00 0.00 46.19 42.56 1c89 s LEU 87 CO 0.28 0.27 0.01 0.35 -1.06 0.00 0.00 176.35 176.19 1c89 n THR 88 N 2.05 0.00 0.22 5.48 -2.24 -1.26 0.24 114.28 118.77 1c89 n THR 88 Ca -0.12 -1.07 0.17 0.00 -2.27 0.00 0.00 64.05 60.75 1c89 n THR 88 Cb 0.52 0.23 0.71 0.00 -2.10 0.00 0.00 70.33 69.69 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 0.10 3.22 -0.00 -1.94 -1.27 115.31 115.42 1c89 h LEU 89 Ca -0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1c89 h LEU 89 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1c89 h LEU 89 CO 0.30 0.00 -0.09 0.58 -0.00 0.00 0.00 178.44 179.23 1c89 h VAL 90 N 0.00 0.00 0.00 0.15 2.07 -2.01 -2.70 116.25 113.77 1c89 h VAL 90 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1c89 h VAL 90 Cb 1.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 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 -2.80 0.22 -3.03 1.57 2.81 -1.01 -4.70 117.12 110.17 1c89 n MET 91 Ca -0.02 0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.49 1c89 n MET 91 Cb 0.08 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.04 1c89 n MET 91 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1c89 s MET 92 N -2.76 4.14 -0.66 0.03 -2.45 -0.51 -3.41 119.30 113.67 1c89 s MET 92 Ca 0.20 0.69 -0.02 0.00 -1.25 0.00 0.00 55.69 55.31 1c89 s MET 92 Cb 0.18 -3.64 0.17 0.00 1.25 0.00 0.00 34.83 32.78 1c89 s MET 92 CO 0.45 -0.44 0.48 0.15 1.05 0.00 0.00 175.02 176.71 1c89 s LYS 93 N 2.59 2.62 -0.66 4.11 1.02 0.09 -4.75 119.74 124.77 1c89 s LYS 93 Ca 0.29 -2.70 -0.26 0.00 0.02 0.00 0.00 55.97 53.32 1c89 s LYS 93 Cb -0.15 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.42 1c89 s LYS 93 CO 0.08 -1.19 1.87 0.00 -0.92 0.00 0.00 175.35 175.20 1c89 s ALA 94 N -0.36 2.09 0.21 5.17 0.00 -1.26 -1.38 121.76 126.23 1c89 s ALA 94 Ca 0.19 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.45 1c89 s ALA 94 Cb -0.18 -4.35 -0.05 0.00 0.00 0.00 0.00 23.12 18.55 1c89 s ALA 94 CO -0.05 -4.05 -0.19 -1.83 0.00 0.00 0.00 175.76 169.64 1c89 s GLU 95 N 7.03 1.43 -0.97 0.00 -1.05 0.25 -4.62 118.70 120.77 1c89 s GLU 95 Ca 0.67 -1.56 -0.24 0.00 -0.15 0.00 0.00 54.97 53.70 1c89 s GLU 95 Cb -0.12 -1.49 -0.02 0.00 -0.44 0.00 0.00 34.13 32.06 1c89 s GLU 95 CO 0.17 0.29 1.81 -2.00 0.95 0.00 0.00 175.26 176.48 1c89 s GLU 96 N -3.14 2.86 0.10 -4.83 -6.30 -1.26 -0.45 118.70 105.69 1c89 s GLU 96 Ca 0.22 -0.64 0.04 0.00 -2.50 0.00 0.00 54.97 52.09 1c89 s GLU 96 Cb -0.05 -5.17 -0.04 0.00 0.00 0.00 0.00 34.13 28.87 1c89 s GLU 96 CO 0.09 -3.10 -0.11 0.54 0.02 0.00 0.00 175.26 172.71 1c89 s VAL 97 N 8.68 1.01 0.07 3.70 0.11 -1.26 -4.57 120.40 128.14 1c89 s VAL 97 Ca 0.63 -1.69 0.05 0.00 -2.93 0.00 0.00 61.98 58.04 1c89 s VAL 97 Cb -0.04 -1.43 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 1c89 s VAL 97 CO -0.02 -0.56 -0.03 -0.44 -3.33 0.00 0.00 175.10 170.72 1c89 s SER 98 N -2.51 4.82 0.87 3.54 0.01 -1.26 -3.78 113.70 115.38 1c89 s SER 98 Ca 0.07 -0.21 -0.12 0.00 1.31 0.00 0.00 55.95 57.00 1c89 s SER 98 Cb -0.03 -1.10 0.11 0.00 0.21 0.00 0.00 66.02 65.21 1c89 s SER 98 CO 0.00 0.20 1.15 -2.16 0.41 0.00 0.00 173.24 172.84 1c89 s PRO 99 N -2.08 1.50 -0.60 12.44 0.04 -1.26 -4.71 135.00 140.34 1c89 s PRO 99 Ca 0.23 0.25 -0.20 0.00 0.04 0.00 0.00 61.00 61.32 1c89 s PRO 99 Cb -0.11 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.64 1c89 s PRO 99 CO 0.15 -1.94 0.75 -1.59 0.04 0.00 0.00 177.00 174.40 1c89 s LYS 100 N -5.38 3.06 0.00 4.56 0.00 -1.25 -4.98 119.74 115.76 1c89 s LYS 100 Ca 0.63 -1.21 0.00 0.00 0.00 0.00 0.00 55.97 55.39 1c89 s LYS 100 Cb -0.13 -4.25 0.00 0.00 0.00 0.00 0.00 37.83 33.44 1c89 s LYS 100 CO 0.52 -1.58 0.00 0.41 0.00 0.00 0.00 175.35 174.70 1c89 n GLY 101 N 5.28 0.39 3.37 0.59 0.00 -1.26 -4.86 105.19 108.72 1c89 n GLY 101 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1c89 n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c89 s ILE 102 N 0.00 3.80 1.01 -0.61 1.01 -0.72 -4.90 121.20 120.79 1c89 s ILE 102 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.16 1c89 s ILE 102 Cb 0.00 -2.75 0.19 0.00 0.01 0.00 0.00 42.46 39.91 1c89 s ILE 102 CO 0.00 0.39 1.13 -2.16 0.00 0.00 0.00 174.94 174.30 1c89 s PRO 103 N 1.52 0.37 -0.04 2.79 0.04 -1.26 -2.50 135.00 135.92 1c89 s PRO 103 Ca 0.06 0.23 -0.05 0.00 0.04 0.00 0.00 61.00 61.28 1c89 s PRO 103 Cb -0.15 -1.76 -0.19 0.00 0.04 0.00 0.00 34.50 32.45 1c89 s PRO 103 CO -0.00 -2.71 3.27 -1.13 0.04 0.00 0.00 177.00 176.47 1c89 n SER 104 N -4.11 5.38 0.00 6.66 3.41 -1.26 -4.54 113.62 119.16 1c89 n SER 104 Ca 0.08 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1c89 n SER 104 Cb 0.59 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1c89 n SER 104 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1c89 n GLU 105 N 2.17 0.00 -0.10 4.33 -0.58 -1.26 -4.39 120.64 120.80 1c89 n GLU 105 Ca 0.36 0.31 0.12 0.00 -0.42 0.00 0.00 57.16 57.53 1c89 n GLU 105 Cb 0.82 -0.90 0.21 0.00 -0.57 0.00 0.00 31.44 31.00 1c89 n GLU 105 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1c89 n GLU 106 N -1.42 2.32 -0.31 3.49 -0.58 -1.26 -4.44 120.64 118.44 1c89 n GLU 106 Ca 0.00 -1.97 0.15 0.00 -0.42 0.00 0.00 57.16 54.92 1c89 n GLU 106 Cb 0.00 -1.48 0.34 0.00 -0.57 0.00 0.00 31.44 29.73 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1c89 h ILE 107 N 4.21 0.41 -0.47 -3.67 6.09 -1.80 0.82 117.51 123.10 1c89 h ILE 107 Ca 0.00 -0.12 0.14 0.00 -1.37 0.00 0.00 64.86 63.50 1c89 h ILE 107 Cb 0.91 0.02 -0.02 0.00 0.47 0.00 0.00 36.82 38.21 1c89 h ILE 107 CO 0.00 0.07 0.54 0.28 -3.07 0.00 0.00 178.15 175.97 1c89 h SER 108 N 0.36 0.00 0.26 2.19 0.02 -1.84 0.77 113.55 115.30 1c89 h SER 108 Ca 0.60 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.28 1c89 h SER 108 Cb 1.19 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.69 1c89 h SER 108 CO -0.57 0.00 -1.98 0.29 -1.14 0.00 0.00 176.83 173.43 1c89 n LYS 109 N -3.59 0.66 -0.26 3.45 5.02 0.28 -4.18 118.16 119.53 1c89 n LYS 109 Ca 0.09 0.08 0.12 0.00 -2.02 0.00 0.00 58.31 56.58 1c89 n LYS 109 Cb 0.73 -1.64 0.26 0.00 -0.02 0.00 0.00 35.03 34.36 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 -2.78 3.65 -4.74 -0.35 4.77 0.43 -4.97 117.00 113.00 1c89 n LEU 110 Ca -0.21 -1.67 -0.42 0.00 -0.03 0.00 0.00 56.01 53.68 1c89 n LEU 110 Cb 0.99 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.73 1c89 n LEU 110 CO 0.44 0.84 1.19 0.52 -1.33 0.00 0.00 177.39 179.04 1c89 n VAL 111 N 1.56 1.21 -0.72 4.08 0.31 0.24 -1.69 118.33 123.32 1c89 n VAL 111 Ca 0.21 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1c89 n VAL 111 Cb 0.61 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 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 1.84 0.64 3.80 2.92 0.00 0.67 -4.87 105.19 110.19 1c89 n GLY 112 Ca 0.08 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1c89 n GLY 112 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1c89 s MET 113 N -0.29 3.44 -0.00 1.61 0.00 -0.68 -3.98 119.30 119.39 1c89 s MET 113 Ca 0.00 1.23 -0.15 0.00 0.00 0.00 0.00 55.69 56.77 1c89 s MET 113 Cb 0.00 -2.05 -0.06 0.00 0.00 0.00 0.00 34.83 32.72 1c89 s MET 113 CO 0.00 -0.71 0.42 -0.65 0.00 0.00 0.00 175.02 174.08 1c89 s GLN 114 N -3.90 3.96 0.52 3.16 -0.21 -1.26 -2.48 119.66 119.45 1c89 s GLN 114 Ca 0.64 0.43 -0.05 0.00 0.02 0.00 0.00 55.36 56.40 1c89 s GLN 114 Cb -0.16 -3.24 -0.01 0.00 1.00 0.00 0.00 33.01 30.60 1c89 s GLN 114 CO 0.33 0.66 0.82 0.14 -2.12 0.00 0.00 175.29 175.11 1c89 s VAL 115 N -0.97 4.23 -1.41 1.09 -7.23 -1.26 -4.70 120.40 110.14 1c89 s VAL 115 Ca 0.24 0.00 0.21 0.00 -1.81 0.00 0.00 61.98 60.61 1c89 s VAL 115 Cb -0.17 -3.63 -0.12 0.00 0.56 0.00 0.00 36.38 33.03 1c89 s VAL 115 CO 0.13 -0.60 0.94 -3.20 -0.31 0.00 0.00 175.10 172.06 1c89 n ASN 116 N -2.37 1.42 -4.45 4.85 5.15 -1.26 -1.03 115.26 117.57 1c89 n ASN 116 Ca 0.02 -1.21 -0.29 0.00 -0.60 0.00 0.00 54.58 52.50 1c89 n ASN 116 Cb 0.57 0.75 -0.08 0.00 -0.53 0.00 0.00 39.78 40.49 1c89 n ASN 116 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c89 s ARG 117 N -2.64 2.03 0.15 1.20 1.70 -1.26 -4.78 118.95 115.34 1c89 s ARG 117 Ca 0.12 -2.26 -0.24 0.00 -0.47 0.00 0.00 55.73 52.89 1c89 s ARG 117 Cb 0.16 -1.10 -0.08 0.00 -0.57 0.00 0.00 34.95 33.37 1c89 s ARG 117 CO 0.69 -0.38 0.72 0.00 -1.08 0.00 0.00 175.30 175.25 1c89 s ALA 118 N -3.04 3.48 -0.04 7.88 0.00 -1.26 -3.84 121.76 124.95 1c89 s ALA 118 Ca 0.17 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.42 1c89 s ALA 118 Cb 0.03 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1c89 s ALA 118 CO 0.10 0.32 -0.06 0.08 0.00 0.00 0.00 175.76 176.20 1c89 s VAL 119 N -1.15 3.74 0.00 0.00 1.01 0.11 -4.89 120.40 119.21 1c89 s VAL 119 Ca 0.34 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1c89 s VAL 119 Cb -0.22 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1c89 s VAL 119 CO 0.24 0.52 0.00 -1.22 0.00 0.00 0.00 175.10 174.64 1c89 n TYR 120 N 1.94 -0.11 0.00 5.22 4.01 -1.26 -1.33 117.16 125.63 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 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1c89 n TYR 120 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1c89 n LEU 121 N 0.00 0.00 -4.43 7.72 7.99 -1.23 -3.39 117.00 123.66 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 -0.16 0.00 -0.11 0.00 0.00 43.42 43.15 1c89 n LEU 121 CO 0.00 0.00 1.72 0.47 -1.51 0.00 0.00 177.39 178.07 1c89 n ASP 122 N 0.00 -0.91 -4.37 -1.43 8.00 -0.27 -4.49 116.55 113.07 1c89 n ASP 122 Ca 0.00 -0.93 -0.31 0.00 0.71 0.00 0.00 54.79 54.26 1c89 n ASP 122 Cb 0.00 -0.78 -0.15 0.00 -0.02 0.00 0.00 41.12 40.18 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 7.04 2.13 0.11 -1.24 0.74 -0.75 -4.44 119.66 123.25 1c89 s GLN 123 Ca 1.01 -0.92 -0.30 0.00 0.05 0.00 0.00 55.36 55.20 1c89 s GLN 123 Cb -0.56 -2.12 -0.06 0.00 1.10 0.00 0.00 33.01 31.37 1c89 s GLN 123 CO 0.38 0.56 1.08 0.99 -0.55 0.00 0.00 175.29 177.75 1c89 s THR 124 N -0.72 4.15 0.10 -0.34 2.01 -1.26 -0.11 115.64 119.46 1c89 s THR 124 Ca 0.11 1.71 -0.31 0.00 0.31 0.00 0.00 61.69 63.52 1c89 s THR 124 Cb -0.10 -4.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.23 1c89 s THR 124 CO 0.01 0.23 1.45 -0.22 -0.69 0.00 0.00 174.62 175.40 1c89 s LEU 125 N 0.23 4.36 -0.04 4.42 2.96 -0.75 -4.92 118.68 124.94 1c89 s LEU 125 Ca 0.52 2.35 0.04 0.00 -0.22 0.00 0.00 54.13 56.82 1c89 s LEU 125 Cb -0.27 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.84 1c89 s LEU 125 CO 0.32 -0.72 -0.16 -0.04 -1.32 0.00 0.00 176.35 174.43 1c89 s MET 126 N 1.54 1.70 0.00 1.98 -1.94 -1.26 -1.75 119.30 119.57 1c89 s MET 126 Ca 0.66 -0.56 0.29 0.00 -1.71 0.00 0.00 55.69 54.38 1c89 s MET 126 Cb -0.37 -1.47 1.72 0.00 2.01 0.00 0.00 34.83 36.72 1c89 s MET 126 CO 0.30 0.20 2.06 -0.35 -0.01 0.00 0.00 175.02 177.22 1c89 n PRO 127 N 3.24 0.90 -0.07 2.03 -0.04 -1.26 -3.34 135.00 136.47 1c89 n PRO 127 Ca -0.19 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 1c89 n PRO 127 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1c89 n PRO 127 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1c89 h ASP 128 N 0.00 0.81 0.16 3.54 5.19 -2.01 -3.30 116.42 120.81 1c89 h ASP 128 Ca 0.00 -0.55 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 1c89 h ASP 128 Cb 0.00 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.28 1c89 h ASP 128 CO 0.00 1.20 -1.68 0.80 -3.12 0.00 0.00 179.24 176.44 1c89 n MET 129 N -4.15 0.55 -2.32 3.56 1.56 -1.24 -4.76 117.12 110.32 1c89 n MET 129 Ca -0.05 -0.12 -0.34 0.00 -0.27 0.00 0.00 57.70 56.91 1c89 n MET 129 Cb 0.58 -1.56 -0.04 0.00 2.15 0.00 0.00 33.22 34.34 1c89 n MET 129 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1c89 s VAL 130 N -3.42 3.71 -1.39 1.12 1.01 -1.21 -4.35 120.40 115.87 1c89 s VAL 130 Ca -0.04 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.38 1c89 s VAL 130 Cb 0.14 -4.60 0.39 0.00 0.00 0.00 0.00 36.38 32.31 1c89 s VAL 130 CO 0.88 -1.48 1.24 2.29 0.00 0.00 0.00 175.10 178.03 1c89 n LYS 131 N 8.82 2.42 -1.11 2.72 -0.00 -1.26 -4.04 118.16 125.71 1c89 n LYS 131 Ca 0.37 -1.53 -0.15 0.00 -0.00 0.00 0.00 58.31 57.00 1c89 n LYS 131 Cb 0.49 -1.57 0.23 0.00 -0.00 0.00 0.00 35.03 34.18 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 0.51 4.01 -4.84 -5.58 2.85 -1.26 -4.98 115.26 105.97 1c89 n ASN 132 Ca 0.14 -3.48 -0.32 0.00 -0.11 0.00 0.00 54.58 50.80 1c89 n ASN 132 Cb 0.52 -0.78 -0.03 0.00 1.24 0.00 0.00 39.78 40.72 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1c89 s TYR 133 N -3.18 3.41 -1.33 1.20 6.14 -1.26 -4.97 117.35 117.36 1c89 s TYR 133 Ca 0.55 1.47 0.11 0.00 0.64 0.00 0.00 57.07 59.84 1c89 s TYR 133 Cb 0.46 -2.81 0.08 0.00 0.42 0.00 0.00 41.96 40.11 1c89 s TYR 133 CO 0.11 -0.43 0.84 -0.85 0.64 0.00 0.00 175.55 175.85